USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 45 GLN : amide:sc= -4.59! C(o=-19!,f=-16!) USER MOD Set 1.2: B 48 HIS : no HD1:sc= -14! C(o=-19!,f=-16!) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -133:sc= -0.0526 (180deg=-0.553) USER MOD Set 3.2: B 1 MET CE :methyl 154:sc= -1.87 (180deg=-4.57!) USER MOD Set 4.1: A 45 GLN : amide:sc= -5.29! C(o=-18!,f=-15!) USER MOD Set 4.2: A 48 HIS : no HD1:sc= -13! C(o=-18!,f=-15!) USER MOD Set 5.1: A 1 MET CE :methyl 146:sc= -2.05! (180deg=-5.88!) USER MOD Set 5.2: B 59 LYS NZ :NH3+ -133:sc= -0.0687 (180deg=-0.608) USER MOD Single : A 1 MET N :NH3+ -167:sc= -2.42! (180deg=-2.78!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 7 THR OG1 : rot -176:sc= -3.3! USER MOD Single : A 18 SER OG : rot 94:sc= 0.0962 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 22 THR OG1 : rot -85:sc= 1.25 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0234 (180deg=-0.243) USER MOD Single : A 32 SER OG : rot 113:sc= 0.708 USER MOD Single : A 34 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.9) USER MOD Single : A 36 ASN : amide:sc= -3.92! C(o=-3.9!,f=-6.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -123:sc= -1.71! USER MOD Single : A 44 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.27) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.42! C(o=-3.4!,f=-13!) USER MOD Single : A 67 GLN : amide:sc= -7.7! C(o=-7.7!,f=-9.9!) USER MOD Single : A 69 SER OG : rot -140:sc= -4.44! USER MOD Single : A 74 SER OG : rot 180:sc= -0.953 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= -1.86! (180deg=-4.66!) USER MOD Single : A 89 LYS NZ :NH3+ 144:sc= -2.41 (180deg=-3.43) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= -3.16 (180deg=-3.65) USER MOD Single : A 98 LYS NZ :NH3+ 135:sc= 0.0131 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -166:sc= -2.01 (180deg=-2.31!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -3.07 USER MOD Single : B 7 THR OG1 : rot -175:sc= -3.69! USER MOD Single : B 18 SER OG : rot 92:sc= 0.0941 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.407 USER MOD Single : B 22 THR OG1 : rot -75:sc= 1.15 USER MOD Single : B 30 LYS NZ :NH3+ 166:sc= -0.0552 (180deg=-0.291) USER MOD Single : B 32 SER OG : rot 133:sc= 0.771 USER MOD Single : B 34 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.5) USER MOD Single : B 36 ASN : amide:sc= -4.07! C(o=-4.1!,f=-7.3!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -95:sc= -1.21 USER MOD Single : B 44 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.36) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot -143:sc=0.000644 USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -2.99! C(o=-3!,f=-13!) USER MOD Single : B 67 GLN : amide:sc= -8.51! C(o=-8.5!,f=-11!) USER MOD Single : B 69 SER OG : rot -139:sc= -4.58! USER MOD Single : B 74 SER OG : rot 180:sc= -0.989 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -139:sc= -1.5! (180deg=-4.39!) USER MOD Single : B 89 LYS NZ :NH3+ 152:sc= -2.59 (180deg=-3.63) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 177:sc= -2.49 (180deg=-2.94) USER MOD Single : B 98 LYS NZ :NH3+ 136:sc= 0.0159 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.460 4.209 -3.366 1.00 0.64 N ATOM 2 CA MET A 1 -16.810 5.537 -3.493 1.00 0.59 C ATOM 3 C MET A 1 -15.364 5.399 -3.947 1.00 0.60 C ATOM 4 O MET A 1 -14.836 4.295 -4.044 1.00 0.61 O ATOM 5 CB MET A 1 -16.842 6.284 -2.163 1.00 0.57 C ATOM 6 CG MET A 1 -17.996 7.264 -2.020 1.00 0.61 C ATOM 7 SD MET A 1 -19.576 6.621 -2.619 1.00 0.96 S ATOM 8 CE MET A 1 -20.659 8.015 -2.318 1.00 1.17 C ATOM 0 H1 MET A 1 -18.488 4.333 -3.273 1.00 0.64 H new ATOM 0 H2 MET A 1 -17.255 3.640 -4.212 1.00 0.64 H new ATOM 0 H3 MET A 1 -17.093 3.722 -2.524 1.00 0.64 H new ATOM 0 HA MET A 1 -17.368 6.100 -4.241 1.00 0.59 H new ATOM 0 HB2 MET A 1 -16.897 5.557 -1.353 1.00 0.57 H new ATOM 0 HB3 MET A 1 -15.904 6.826 -2.042 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.100 7.538 -0.970 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.755 8.177 -2.565 1.00 0.61 H new ATOM 0 HE1 MET A 1 -21.419 8.060 -3.098 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.141 7.898 -1.348 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.077 8.936 -2.325 1.00 1.17 H new ATOM 20 N ALA A 2 -14.743 6.531 -4.251 1.00 0.62 N ATOM 21 CA ALA A 2 -13.358 6.547 -4.694 1.00 0.65 C ATOM 22 C ALA A 2 -12.457 7.246 -3.690 1.00 0.62 C ATOM 23 O ALA A 2 -12.512 8.466 -3.537 1.00 0.72 O ATOM 24 CB ALA A 2 -13.244 7.204 -6.058 1.00 0.73 C ATOM 0 H ALA A 2 -15.179 7.452 -4.198 1.00 0.62 H new ATOM 0 HA ALA A 2 -13.024 5.512 -4.773 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -12.201 7.207 -6.374 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -13.840 6.647 -6.781 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -13.609 8.229 -6.000 1.00 0.73 H new ATOM 30 N ALA A 3 -11.598 6.483 -3.037 1.00 0.73 N ATOM 31 CA ALA A 3 -10.689 7.055 -2.062 1.00 0.76 C ATOM 32 C ALA A 3 -9.670 7.945 -2.758 1.00 0.66 C ATOM 33 O ALA A 3 -8.633 7.476 -3.225 1.00 0.81 O ATOM 34 CB ALA A 3 -9.994 5.954 -1.276 1.00 1.06 C ATOM 0 H ALA A 3 -11.512 5.475 -3.163 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.260 7.664 -1.362 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.315 6.399 -0.549 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.739 5.352 -0.756 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.429 5.320 -1.959 1.00 1.06 H new ATOM 40 N GLU A 4 -9.984 9.232 -2.841 1.00 0.63 N ATOM 41 CA GLU A 4 -9.098 10.189 -3.486 1.00 0.75 C ATOM 42 C GLU A 4 -7.842 10.390 -2.658 1.00 0.74 C ATOM 43 O GLU A 4 -6.793 9.832 -2.978 1.00 0.85 O ATOM 44 CB GLU A 4 -9.821 11.503 -3.725 1.00 0.97 C ATOM 45 CG GLU A 4 -11.092 11.333 -4.525 1.00 1.44 C ATOM 46 CD GLU A 4 -10.880 10.530 -5.794 1.00 2.42 C ATOM 47 OE1 GLU A 4 -10.876 9.283 -5.713 1.00 3.03 O ATOM 48 OE2 GLU A 4 -10.715 11.148 -6.867 1.00 3.20 O ATOM 0 H GLU A 4 -10.844 9.635 -2.470 1.00 0.63 H new ATOM 0 HA GLU A 4 -8.798 9.793 -4.456 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -10.059 11.961 -2.765 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -9.156 12.189 -4.249 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -11.842 10.838 -3.908 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -11.489 12.315 -4.783 1.00 1.44 H new ATOM 55 N THR A 5 -7.933 11.182 -1.597 1.00 0.69 N ATOM 56 CA THR A 5 -6.782 11.386 -0.740 1.00 0.74 C ATOM 57 C THR A 5 -6.474 10.084 0.016 1.00 0.61 C ATOM 58 O THR A 5 -6.709 8.995 -0.507 1.00 0.78 O ATOM 59 CB THR A 5 -7.016 12.554 0.231 1.00 0.93 C ATOM 60 OG1 THR A 5 -5.771 13.002 0.777 1.00 1.43 O ATOM 61 CG2 THR A 5 -7.929 12.124 1.346 1.00 1.09 C ATOM 0 H THR A 5 -8.776 11.683 -1.316 1.00 0.69 H new ATOM 0 HA THR A 5 -5.921 11.649 -1.355 1.00 0.74 H new ATOM 0 HB THR A 5 -7.480 13.373 -0.318 1.00 0.93 H new ATOM 0 HG1 THR A 5 -5.933 13.747 1.393 1.00 1.43 H new ATOM 0 HG21 THR A 5 -8.088 12.959 2.028 1.00 1.09 H new ATOM 0 HG22 THR A 5 -8.886 11.807 0.931 1.00 1.09 H new ATOM 0 HG23 THR A 5 -7.476 11.294 1.888 1.00 1.09 H new ATOM 69 N LEU A 6 -5.957 10.188 1.237 1.00 0.54 N ATOM 70 CA LEU A 6 -5.653 8.997 2.025 1.00 0.50 C ATOM 71 C LEU A 6 -6.899 8.426 2.693 1.00 0.49 C ATOM 72 O LEU A 6 -7.548 9.096 3.494 1.00 0.56 O ATOM 73 CB LEU A 6 -4.610 9.283 3.116 1.00 0.61 C ATOM 74 CG LEU A 6 -3.988 10.670 3.135 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.873 11.645 3.901 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.603 10.609 3.755 1.00 1.07 C ATOM 0 H LEU A 6 -5.742 11.072 1.698 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.251 8.270 1.319 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.078 9.109 4.085 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -3.806 8.554 3.015 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.899 11.027 2.109 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -4.410 12.632 3.903 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.850 11.703 3.421 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.993 11.298 4.927 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.164 11.607 3.765 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.678 10.235 4.776 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -1.971 9.941 3.170 1.00 1.07 H new ATOM 88 N THR A 7 -7.225 7.187 2.357 1.00 0.50 N ATOM 89 CA THR A 7 -8.366 6.511 2.971 1.00 0.54 C ATOM 90 C THR A 7 -7.945 5.960 4.323 1.00 0.48 C ATOM 91 O THR A 7 -6.779 6.047 4.673 1.00 0.54 O ATOM 92 CB THR A 7 -8.914 5.367 2.096 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.152 5.265 0.887 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.382 5.604 1.763 1.00 0.83 C ATOM 0 H THR A 7 -6.721 6.629 1.667 1.00 0.50 H new ATOM 0 HA THR A 7 -9.166 7.243 3.083 1.00 0.54 H new ATOM 0 HB THR A 7 -8.828 4.434 2.654 1.00 0.62 H new ATOM 0 HG1 THR A 7 -8.545 4.578 0.310 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.751 4.786 1.145 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.961 5.652 2.685 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.485 6.544 1.221 1.00 0.83 H new ATOM 102 N GLU A 8 -8.877 5.364 5.064 1.00 0.45 N ATOM 103 CA GLU A 8 -8.577 4.827 6.401 1.00 0.44 C ATOM 104 C GLU A 8 -7.207 4.160 6.452 1.00 0.41 C ATOM 105 O GLU A 8 -6.538 4.159 7.486 1.00 0.42 O ATOM 106 CB GLU A 8 -9.641 3.823 6.839 1.00 0.50 C ATOM 107 CG GLU A 8 -11.064 4.232 6.497 1.00 0.52 C ATOM 108 CD GLU A 8 -11.392 5.641 6.953 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.069 6.594 6.213 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.971 5.790 8.049 1.00 1.67 O ATOM 0 H GLU A 8 -9.845 5.238 4.768 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.575 5.676 7.085 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.430 2.861 6.373 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.566 3.678 7.917 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.210 4.160 5.419 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.760 3.533 6.960 1.00 0.52 H new ATOM 117 N LEU A 9 -6.804 3.596 5.328 1.00 0.41 N ATOM 118 CA LEU A 9 -5.518 2.933 5.218 1.00 0.40 C ATOM 119 C LEU A 9 -4.350 3.850 5.582 1.00 0.38 C ATOM 120 O LEU A 9 -3.285 3.367 5.960 1.00 0.39 O ATOM 121 CB LEU A 9 -5.356 2.405 3.805 1.00 0.45 C ATOM 122 CG LEU A 9 -5.862 3.334 2.704 1.00 0.57 C ATOM 123 CD1 LEU A 9 -4.733 3.741 1.776 1.00 0.93 C ATOM 124 CD2 LEU A 9 -6.979 2.657 1.932 1.00 0.92 C ATOM 0 H LEU A 9 -7.356 3.584 4.470 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.500 2.111 5.934 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.300 2.200 3.629 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -5.882 1.454 3.727 1.00 0.45 H new ATOM 0 HG LEU A 9 -6.253 4.241 3.165 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -5.120 4.402 1.001 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -3.963 4.261 2.346 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -4.304 2.852 1.314 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.336 3.325 1.148 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.605 1.737 1.483 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.800 2.422 2.610 1.00 0.92 H new ATOM 136 N GLU A 10 -4.537 5.168 5.476 1.00 0.38 N ATOM 137 CA GLU A 10 -3.462 6.102 5.823 1.00 0.39 C ATOM 138 C GLU A 10 -2.903 5.763 7.194 1.00 0.38 C ATOM 139 O GLU A 10 -1.696 5.800 7.411 1.00 0.40 O ATOM 140 CB GLU A 10 -3.935 7.550 5.825 1.00 0.46 C ATOM 141 CG GLU A 10 -5.399 7.722 6.160 1.00 0.45 C ATOM 142 CD GLU A 10 -5.643 8.855 7.137 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.360 10.018 6.779 1.00 1.16 O ATOM 144 OE2 GLU A 10 -6.111 8.579 8.262 1.00 1.27 O ATOM 0 H GLU A 10 -5.402 5.606 5.160 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.690 5.999 5.061 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.340 8.114 6.544 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.745 7.984 4.844 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.958 7.910 5.244 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.783 6.793 6.582 1.00 0.45 H new ATOM 151 N ALA A 11 -3.798 5.438 8.125 1.00 0.39 N ATOM 152 CA ALA A 11 -3.387 5.061 9.472 1.00 0.39 C ATOM 153 C ALA A 11 -2.343 3.961 9.389 1.00 0.36 C ATOM 154 O ALA A 11 -1.483 3.830 10.259 1.00 0.39 O ATOM 155 CB ALA A 11 -4.585 4.607 10.291 1.00 0.42 C ATOM 0 H ALA A 11 -4.806 5.429 7.971 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.953 5.928 9.971 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.257 4.330 11.293 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.309 5.419 10.358 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -5.049 3.746 9.810 1.00 0.42 H new ATOM 161 N ALA A 12 -2.436 3.171 8.325 1.00 0.33 N ATOM 162 CA ALA A 12 -1.480 2.102 8.090 1.00 0.33 C ATOM 163 C ALA A 12 -0.155 2.692 7.637 1.00 0.33 C ATOM 164 O ALA A 12 0.912 2.148 7.921 1.00 0.34 O ATOM 165 CB ALA A 12 -2.012 1.124 7.054 1.00 0.34 C ATOM 0 H ALA A 12 -3.163 3.253 7.614 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.326 1.555 9.020 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.281 0.332 6.893 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.946 0.689 7.410 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.191 1.649 6.116 1.00 0.34 H new ATOM 171 N ILE A 13 -0.231 3.818 6.926 1.00 0.36 N ATOM 172 CA ILE A 13 0.964 4.493 6.447 1.00 0.40 C ATOM 173 C ILE A 13 1.926 4.738 7.613 1.00 0.39 C ATOM 174 O ILE A 13 3.139 4.835 7.429 1.00 0.42 O ATOM 175 CB ILE A 13 0.625 5.826 5.713 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.651 6.090 4.607 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.559 7.020 6.668 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.048 6.355 5.125 1.00 2.05 C ATOM 0 H ILE A 13 -1.106 4.276 6.673 1.00 0.36 H new ATOM 0 HA ILE A 13 1.448 3.845 5.717 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.367 5.711 5.275 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.678 5.231 3.936 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.324 6.946 4.016 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.320 7.923 6.106 1.00 0.99 H new ATOM 0 HG22 ILE A 13 -0.213 6.844 7.418 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.523 7.145 7.162 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.720 6.533 4.285 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.036 7.232 5.772 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.396 5.491 5.691 1.00 2.05 H new ATOM 190 N GLU A 14 1.357 4.836 8.818 1.00 0.39 N ATOM 191 CA GLU A 14 2.134 5.065 10.028 1.00 0.42 C ATOM 192 C GLU A 14 3.089 3.909 10.293 1.00 0.38 C ATOM 193 O GLU A 14 4.181 4.106 10.825 1.00 0.46 O ATOM 194 CB GLU A 14 1.203 5.256 11.228 1.00 0.46 C ATOM 195 CG GLU A 14 0.247 6.428 11.075 1.00 0.79 C ATOM 196 CD GLU A 14 -0.655 6.606 12.281 1.00 1.46 C ATOM 197 OE1 GLU A 14 -1.733 5.975 12.314 1.00 2.02 O ATOM 198 OE2 GLU A 14 -0.285 7.375 13.193 1.00 2.25 O ATOM 0 H GLU A 14 0.352 4.759 8.976 1.00 0.39 H new ATOM 0 HA GLU A 14 2.723 5.971 9.883 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.625 4.344 11.378 1.00 0.46 H new ATOM 0 HB3 GLU A 14 1.805 5.403 12.125 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.820 7.341 10.917 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.366 6.278 10.186 1.00 0.79 H new ATOM 205 N THR A 15 2.674 2.700 9.929 1.00 0.30 N ATOM 206 CA THR A 15 3.521 1.526 10.121 1.00 0.28 C ATOM 207 C THR A 15 4.554 1.428 9.008 1.00 0.29 C ATOM 208 O THR A 15 5.757 1.554 9.233 1.00 0.35 O ATOM 209 CB THR A 15 2.701 0.226 10.123 1.00 0.28 C ATOM 210 OG1 THR A 15 1.600 0.333 11.034 1.00 0.29 O ATOM 211 CG2 THR A 15 3.572 -0.960 10.510 1.00 0.32 C ATOM 0 H THR A 15 1.767 2.507 9.504 1.00 0.30 H new ATOM 0 HA THR A 15 4.009 1.645 11.088 1.00 0.28 H new ATOM 0 HB THR A 15 2.318 0.066 9.115 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.085 -0.501 11.024 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.971 -1.870 10.505 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.389 -1.060 9.795 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.981 -0.801 11.508 1.00 0.32 H new ATOM 219 N VAL A 16 4.050 1.207 7.804 1.00 0.27 N ATOM 220 CA VAL A 16 4.874 1.069 6.615 1.00 0.28 C ATOM 221 C VAL A 16 5.915 2.182 6.500 1.00 0.30 C ATOM 222 O VAL A 16 6.963 1.997 5.883 1.00 0.36 O ATOM 223 CB VAL A 16 3.980 1.074 5.365 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.324 2.432 5.190 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.772 0.693 4.129 1.00 0.33 C ATOM 0 H VAL A 16 3.050 1.118 7.624 1.00 0.27 H new ATOM 0 HA VAL A 16 5.409 0.123 6.696 1.00 0.28 H new ATOM 0 HB VAL A 16 3.197 0.328 5.501 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.694 2.420 4.301 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.713 2.656 6.064 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.093 3.196 5.079 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.116 0.704 3.259 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.582 1.407 3.982 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.188 -0.306 4.257 1.00 0.33 H new ATOM 235 N VAL A 17 5.626 3.336 7.093 1.00 0.31 N ATOM 236 CA VAL A 17 6.542 4.468 7.035 1.00 0.33 C ATOM 237 C VAL A 17 7.667 4.330 8.061 1.00 0.30 C ATOM 238 O VAL A 17 8.827 4.623 7.774 1.00 0.32 O ATOM 239 CB VAL A 17 5.813 5.804 7.269 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.277 5.882 8.687 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.743 6.973 6.979 1.00 0.50 C ATOM 0 H VAL A 17 4.768 3.511 7.617 1.00 0.31 H new ATOM 0 HA VAL A 17 6.968 4.467 6.032 1.00 0.33 H new ATOM 0 HB VAL A 17 4.967 5.860 6.584 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.766 6.834 8.831 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.576 5.064 8.857 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.104 5.804 9.393 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.213 7.910 7.149 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.609 6.921 7.639 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.074 6.926 5.941 1.00 0.50 H new ATOM 251 N SER A 18 7.315 3.891 9.264 1.00 0.33 N ATOM 252 CA SER A 18 8.295 3.731 10.331 1.00 0.40 C ATOM 253 C SER A 18 9.078 2.425 10.197 1.00 0.44 C ATOM 254 O SER A 18 10.100 2.235 10.850 1.00 0.59 O ATOM 255 CB SER A 18 7.608 3.785 11.696 1.00 0.51 C ATOM 256 OG SER A 18 6.996 5.046 11.910 1.00 1.32 O ATOM 0 H SER A 18 6.361 3.640 9.524 1.00 0.33 H new ATOM 0 HA SER A 18 9.003 4.555 10.246 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.857 2.997 11.760 1.00 0.51 H new ATOM 0 HB3 SER A 18 8.339 3.594 12.482 1.00 0.51 H new ATOM 0 HG SER A 18 6.058 5.006 11.630 1.00 1.32 H new ATOM 262 N THR A 19 8.578 1.504 9.394 1.00 0.37 N ATOM 263 CA THR A 19 9.261 0.234 9.198 1.00 0.44 C ATOM 264 C THR A 19 10.343 0.292 8.116 1.00 0.46 C ATOM 265 O THR A 19 11.528 0.464 8.399 1.00 0.54 O ATOM 266 CB THR A 19 8.268 -0.896 8.859 1.00 0.45 C ATOM 267 OG1 THR A 19 7.576 -0.596 7.639 1.00 0.42 O ATOM 268 CG2 THR A 19 7.262 -1.089 9.985 1.00 0.49 C ATOM 0 H THR A 19 7.709 1.608 8.870 1.00 0.37 H new ATOM 0 HA THR A 19 9.749 0.021 10.149 1.00 0.44 H new ATOM 0 HB THR A 19 8.834 -1.819 8.736 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.949 -1.320 7.432 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.572 -1.891 9.723 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.789 -1.349 10.903 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.704 -0.165 10.136 1.00 0.49 H new ATOM 276 N PHE A 20 9.898 0.145 6.877 1.00 0.45 N ATOM 277 CA PHE A 20 10.763 0.104 5.708 1.00 0.54 C ATOM 278 C PHE A 20 11.111 1.493 5.223 1.00 0.52 C ATOM 279 O PHE A 20 12.172 1.713 4.645 1.00 0.64 O ATOM 280 CB PHE A 20 10.065 -0.727 4.618 1.00 0.60 C ATOM 281 CG PHE A 20 10.660 -0.632 3.242 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.007 -0.390 3.059 1.00 1.60 C ATOM 283 CD2 PHE A 20 9.854 -0.785 2.125 1.00 1.26 C ATOM 284 CE1 PHE A 20 12.542 -0.298 1.792 1.00 1.77 C ATOM 285 CE2 PHE A 20 10.382 -0.691 0.857 1.00 1.37 C ATOM 286 CZ PHE A 20 11.726 -0.447 0.691 1.00 1.18 C ATOM 0 H PHE A 20 8.908 0.049 6.652 1.00 0.45 H new ATOM 0 HA PHE A 20 11.711 -0.367 5.970 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.072 -1.773 4.925 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.021 -0.417 4.564 1.00 0.60 H new ATOM 0 HD1 PHE A 20 12.649 -0.271 3.919 1.00 1.60 H new ATOM 0 HD2 PHE A 20 8.799 -0.980 2.251 1.00 1.26 H new ATOM 0 HE1 PHE A 20 13.598 -0.110 1.662 1.00 1.77 H new ATOM 0 HE2 PHE A 20 9.743 -0.809 -0.006 1.00 1.37 H new ATOM 0 HZ PHE A 20 12.142 -0.372 -0.303 1.00 1.18 H new ATOM 296 N PHE A 21 10.238 2.442 5.460 1.00 0.44 N ATOM 297 CA PHE A 21 10.519 3.781 5.009 1.00 0.47 C ATOM 298 C PHE A 21 11.432 4.512 5.955 1.00 0.49 C ATOM 299 O PHE A 21 11.595 5.724 5.863 1.00 0.62 O ATOM 300 CB PHE A 21 9.239 4.524 4.710 1.00 0.48 C ATOM 301 CG PHE A 21 8.337 3.731 3.797 1.00 0.45 C ATOM 302 CD1 PHE A 21 8.821 2.606 3.117 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.007 4.075 3.642 1.00 1.39 C ATOM 304 CE1 PHE A 21 7.983 1.866 2.309 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.173 3.330 2.840 1.00 1.44 C ATOM 306 CZ PHE A 21 6.661 2.223 2.175 1.00 0.54 C ATOM 0 H PHE A 21 9.351 2.318 5.949 1.00 0.44 H new ATOM 0 HA PHE A 21 11.069 3.720 4.070 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.716 4.739 5.642 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.474 5.483 4.248 1.00 0.48 H new ATOM 0 HD1 PHE A 21 9.856 2.317 3.226 1.00 1.16 H new ATOM 0 HD2 PHE A 21 6.617 4.940 4.157 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.365 1.005 1.781 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.136 3.612 2.731 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.005 1.637 1.549 1.00 0.54 H new ATOM 316 N THR A 22 11.906 3.805 6.958 1.00 0.47 N ATOM 317 CA THR A 22 12.937 4.366 7.810 1.00 0.54 C ATOM 318 C THR A 22 14.314 4.079 7.194 1.00 0.49 C ATOM 319 O THR A 22 15.345 4.407 7.783 1.00 0.54 O ATOM 320 CB THR A 22 12.890 3.822 9.231 1.00 0.66 C ATOM 321 OG1 THR A 22 13.049 2.417 9.196 1.00 0.66 O ATOM 322 CG2 THR A 22 11.588 4.215 9.894 1.00 0.81 C ATOM 0 H THR A 22 11.604 2.862 7.202 1.00 0.47 H new ATOM 0 HA THR A 22 12.758 5.439 7.874 1.00 0.54 H new ATOM 0 HB THR A 22 13.702 4.248 9.820 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.180 1.993 9.036 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.564 3.821 10.910 1.00 0.81 H new ATOM 0 HG22 THR A 22 11.508 5.302 9.924 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.752 3.806 9.326 1.00 0.81 H new ATOM 330 N PHE A 23 14.324 3.459 5.995 1.00 0.49 N ATOM 331 CA PHE A 23 15.577 3.086 5.328 1.00 0.51 C ATOM 332 C PHE A 23 16.442 4.289 4.937 1.00 0.44 C ATOM 333 O PHE A 23 17.605 4.127 4.582 1.00 0.45 O ATOM 334 CB PHE A 23 15.279 2.258 4.074 1.00 0.68 C ATOM 335 CG PHE A 23 14.945 0.822 4.342 1.00 0.61 C ATOM 336 CD1 PHE A 23 14.317 0.447 5.514 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.291 -0.156 3.422 1.00 1.46 C ATOM 338 CE1 PHE A 23 14.036 -0.881 5.770 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.021 -1.483 3.672 1.00 1.93 C ATOM 340 CZ PHE A 23 14.394 -1.849 4.850 1.00 1.82 C ATOM 0 H PHE A 23 13.482 3.210 5.477 1.00 0.49 H new ATOM 0 HA PHE A 23 16.144 2.502 6.053 1.00 0.51 H new ATOM 0 HB2 PHE A 23 14.447 2.718 3.540 1.00 0.68 H new ATOM 0 HB3 PHE A 23 16.144 2.299 3.413 1.00 0.68 H new ATOM 0 HD1 PHE A 23 14.043 1.200 6.238 1.00 1.47 H new ATOM 0 HD2 PHE A 23 15.777 0.126 2.500 1.00 1.46 H new ATOM 0 HE1 PHE A 23 13.538 -1.162 6.686 1.00 1.88 H new ATOM 0 HE2 PHE A 23 15.298 -2.237 2.950 1.00 1.93 H new ATOM 0 HZ PHE A 23 14.185 -2.889 5.050 1.00 1.82 H new ATOM 350 N ALA A 24 15.886 5.487 5.007 1.00 0.50 N ATOM 351 CA ALA A 24 16.613 6.692 4.618 1.00 0.58 C ATOM 352 C ALA A 24 17.857 6.897 5.473 1.00 0.60 C ATOM 353 O ALA A 24 18.722 7.708 5.139 1.00 0.65 O ATOM 354 CB ALA A 24 15.700 7.904 4.703 1.00 0.71 C ATOM 0 H ALA A 24 14.933 5.655 5.329 1.00 0.50 H new ATOM 0 HA ALA A 24 16.942 6.567 3.586 1.00 0.58 H new ATOM 0 HB1 ALA A 24 16.253 8.797 4.411 1.00 0.71 H new ATOM 0 HB2 ALA A 24 14.851 7.767 4.034 1.00 0.71 H new ATOM 0 HB3 ALA A 24 15.341 8.018 5.726 1.00 0.71 H new ATOM 360 N GLY A 25 17.941 6.164 6.579 1.00 0.68 N ATOM 361 CA GLY A 25 19.089 6.260 7.461 1.00 0.81 C ATOM 362 C GLY A 25 20.409 6.351 6.705 1.00 0.71 C ATOM 363 O GLY A 25 21.376 6.932 7.197 1.00 0.80 O ATOM 0 H GLY A 25 17.228 5.500 6.881 1.00 0.68 H new ATOM 0 HA2 GLY A 25 18.979 7.138 8.098 1.00 0.81 H new ATOM 0 HA3 GLY A 25 19.111 5.390 8.117 1.00 0.81 H new ATOM 367 N ARG A 26 20.443 5.776 5.502 1.00 0.60 N ATOM 368 CA ARG A 26 21.640 5.805 4.666 1.00 0.59 C ATOM 369 C ARG A 26 22.027 7.233 4.319 1.00 0.57 C ATOM 370 O ARG A 26 23.132 7.683 4.623 1.00 0.71 O ATOM 371 CB ARG A 26 21.403 5.031 3.370 1.00 0.61 C ATOM 372 CG ARG A 26 20.965 3.606 3.597 1.00 1.17 C ATOM 373 CD ARG A 26 22.141 2.672 3.791 1.00 0.97 C ATOM 374 NE ARG A 26 22.823 2.896 5.064 1.00 1.55 N ATOM 375 CZ ARG A 26 24.033 2.417 5.346 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.690 1.698 4.447 1.00 2.01 N ATOM 377 NH2 ARG A 26 24.585 2.661 6.526 1.00 2.82 N ATOM 0 H ARG A 26 19.652 5.284 5.086 1.00 0.60 H new ATOM 0 HA ARG A 26 22.448 5.341 5.232 1.00 0.59 H new ATOM 0 HB2 ARG A 26 20.645 5.547 2.780 1.00 0.61 H new ATOM 0 HB3 ARG A 26 22.320 5.032 2.781 1.00 0.61 H new ATOM 0 HG2 ARG A 26 20.319 3.561 4.474 1.00 1.17 H new ATOM 0 HG3 ARG A 26 20.372 3.270 2.746 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.794 1.640 3.744 1.00 0.97 H new ATOM 0 HD3 ARG A 26 22.849 2.808 2.973 1.00 0.97 H new ATOM 0 HE ARG A 26 22.346 3.450 5.776 1.00 1.55 H new ATOM 0 HH11 ARG A 26 24.269 1.511 3.537 1.00 2.01 H new ATOM 0 HH12 ARG A 26 25.617 1.332 4.665 1.00 2.01 H new ATOM 0 HH21 ARG A 26 24.083 3.216 7.219 1.00 2.82 H new ATOM 0 HH22 ARG A 26 25.512 2.294 6.741 1.00 2.82 H new ATOM 391 N GLU A 27 21.104 7.941 3.682 1.00 0.50 N ATOM 392 CA GLU A 27 21.352 9.315 3.271 1.00 0.58 C ATOM 393 C GLU A 27 20.396 10.281 3.960 1.00 0.80 C ATOM 394 O GLU A 27 19.199 10.298 3.677 1.00 1.27 O ATOM 395 CB GLU A 27 21.232 9.447 1.749 1.00 0.98 C ATOM 396 CG GLU A 27 19.928 8.907 1.178 1.00 0.85 C ATOM 397 CD GLU A 27 19.772 9.213 -0.298 1.00 1.09 C ATOM 398 OE1 GLU A 27 19.650 10.405 -0.648 1.00 1.78 O ATOM 399 OE2 GLU A 27 19.770 8.259 -1.106 1.00 1.63 O ATOM 0 H GLU A 27 20.179 7.587 3.439 1.00 0.50 H new ATOM 0 HA GLU A 27 22.367 9.575 3.571 1.00 0.58 H new ATOM 0 HB2 GLU A 27 21.327 10.498 1.478 1.00 0.98 H new ATOM 0 HB3 GLU A 27 22.065 8.921 1.283 1.00 0.98 H new ATOM 0 HG2 GLU A 27 19.888 7.828 1.329 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.089 9.337 1.726 1.00 0.85 H new ATOM 406 N GLY A 28 20.939 11.083 4.870 1.00 1.33 N ATOM 407 CA GLY A 28 20.131 12.054 5.582 1.00 1.88 C ATOM 408 C GLY A 28 20.184 13.415 4.930 1.00 1.36 C ATOM 409 O GLY A 28 21.162 14.147 5.078 1.00 1.58 O ATOM 0 H GLY A 28 21.926 11.077 5.127 1.00 1.33 H new ATOM 0 HA2 GLY A 28 19.098 11.709 5.620 1.00 1.88 H new ATOM 0 HA3 GLY A 28 20.479 12.131 6.612 1.00 1.88 H new ATOM 413 N ARG A 29 19.128 13.754 4.205 1.00 1.16 N ATOM 414 CA ARG A 29 19.062 15.032 3.516 1.00 1.06 C ATOM 415 C ARG A 29 17.623 15.525 3.417 1.00 1.13 C ATOM 416 O ARG A 29 16.717 14.956 4.026 1.00 1.73 O ATOM 417 CB ARG A 29 19.643 14.891 2.109 1.00 1.38 C ATOM 418 CG ARG A 29 18.889 13.880 1.257 1.00 1.78 C ATOM 419 CD ARG A 29 18.860 14.286 -0.206 1.00 2.37 C ATOM 420 NE ARG A 29 20.175 14.187 -0.831 1.00 2.89 N ATOM 421 CZ ARG A 29 20.451 14.658 -2.042 1.00 3.59 C ATOM 422 NH1 ARG A 29 19.509 15.264 -2.751 1.00 3.91 N ATOM 423 NH2 ARG A 29 21.670 14.523 -2.546 1.00 4.31 N ATOM 0 H ARG A 29 18.307 13.162 4.079 1.00 1.16 H new ATOM 0 HA ARG A 29 19.642 15.757 4.088 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.624 15.862 1.614 1.00 1.38 H new ATOM 0 HB3 ARG A 29 20.688 14.591 2.181 1.00 1.38 H new ATOM 0 HG2 ARG A 29 19.359 12.901 1.353 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.869 13.782 1.627 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.155 13.652 -0.744 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.496 15.310 -0.290 1.00 2.37 H new ATOM 0 HE ARG A 29 20.923 13.731 -0.309 1.00 2.89 H new ATOM 0 HH11 ARG A 29 18.570 15.369 -2.367 1.00 3.91 H new ATOM 0 HH12 ARG A 29 19.723 15.625 -3.681 1.00 3.91 H new ATOM 0 HH21 ARG A 29 22.397 14.057 -2.004 1.00 4.31 H new ATOM 0 HH22 ARG A 29 21.880 14.885 -3.476 1.00 4.31 H new ATOM 437 N LYS A 30 17.423 16.589 2.647 1.00 1.04 N ATOM 438 CA LYS A 30 16.092 17.139 2.444 1.00 1.47 C ATOM 439 C LYS A 30 15.538 16.649 1.114 1.00 1.32 C ATOM 440 O LYS A 30 14.952 17.410 0.346 1.00 1.64 O ATOM 441 CB LYS A 30 16.121 18.669 2.470 1.00 2.03 C ATOM 442 CG LYS A 30 17.021 19.279 1.409 1.00 2.65 C ATOM 443 CD LYS A 30 17.009 20.798 1.476 1.00 3.51 C ATOM 444 CE LYS A 30 17.573 21.302 2.795 1.00 4.01 C ATOM 445 NZ LYS A 30 18.990 20.889 2.987 1.00 4.77 N ATOM 0 H LYS A 30 18.166 17.086 2.155 1.00 1.04 H new ATOM 0 HA LYS A 30 15.447 16.800 3.255 1.00 1.47 H new ATOM 0 HB2 LYS A 30 15.107 19.045 2.335 1.00 2.03 H new ATOM 0 HB3 LYS A 30 16.456 19.001 3.453 1.00 2.03 H new ATOM 0 HG2 LYS A 30 18.040 18.916 1.542 1.00 2.65 H new ATOM 0 HG3 LYS A 30 16.693 18.954 0.421 1.00 2.65 H new ATOM 0 HD2 LYS A 30 17.593 21.204 0.650 1.00 3.51 H new ATOM 0 HD3 LYS A 30 15.988 21.161 1.353 1.00 3.51 H new ATOM 0 HE2 LYS A 30 17.504 22.389 2.827 1.00 4.01 H new ATOM 0 HE3 LYS A 30 16.969 20.920 3.618 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 19.409 21.438 3.765 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 19.028 19.876 3.218 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 19.524 21.065 2.112 1.00 4.77 H new ATOM 459 N GLY A 31 15.748 15.365 0.847 1.00 0.95 N ATOM 460 CA GLY A 31 15.273 14.771 -0.378 1.00 0.88 C ATOM 461 C GLY A 31 14.736 13.390 -0.146 1.00 0.80 C ATOM 462 O GLY A 31 13.692 13.235 0.478 1.00 0.85 O ATOM 0 H GLY A 31 16.244 14.724 1.466 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.493 15.398 -0.809 1.00 0.88 H new ATOM 0 HA3 GLY A 31 16.086 14.730 -1.103 1.00 0.88 H new ATOM 466 N SER A 32 15.427 12.380 -0.656 1.00 0.74 N ATOM 467 CA SER A 32 14.960 11.015 -0.484 1.00 0.71 C ATOM 468 C SER A 32 16.048 9.982 -0.327 1.00 0.70 C ATOM 469 O SER A 32 17.243 10.265 -0.387 1.00 0.74 O ATOM 470 CB SER A 32 14.054 10.636 -1.628 1.00 0.68 C ATOM 471 OG SER A 32 14.683 10.851 -2.880 1.00 1.10 O ATOM 0 H SER A 32 16.296 12.477 -1.182 1.00 0.74 H new ATOM 0 HA SER A 32 14.419 11.011 0.462 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.770 9.588 -1.537 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.135 11.221 -1.576 1.00 0.68 H new ATOM 0 HG SER A 32 14.843 9.989 -3.318 1.00 1.10 H new ATOM 477 N LEU A 33 15.572 8.763 -0.120 1.00 0.72 N ATOM 478 CA LEU A 33 16.401 7.602 0.050 1.00 0.74 C ATOM 479 C LEU A 33 16.492 6.809 -1.240 1.00 0.56 C ATOM 480 O LEU A 33 15.652 6.941 -2.127 1.00 0.52 O ATOM 481 CB LEU A 33 15.864 6.710 1.148 1.00 0.99 C ATOM 482 CG LEU A 33 16.566 5.359 1.254 1.00 1.19 C ATOM 483 CD1 LEU A 33 17.995 5.523 1.751 1.00 1.93 C ATOM 484 CD2 LEU A 33 15.795 4.431 2.137 1.00 1.69 C ATOM 0 H LEU A 33 14.574 8.560 -0.066 1.00 0.72 H new ATOM 0 HA LEU A 33 17.396 7.949 0.327 1.00 0.74 H new ATOM 0 HB2 LEU A 33 15.956 7.231 2.101 1.00 0.99 H new ATOM 0 HB3 LEU A 33 14.801 6.542 0.977 1.00 0.99 H new ATOM 0 HG LEU A 33 16.609 4.921 0.257 1.00 1.19 H new ATOM 0 HD11 LEU A 33 18.472 4.545 1.817 1.00 1.93 H new ATOM 0 HD12 LEU A 33 18.552 6.152 1.056 1.00 1.93 H new ATOM 0 HD13 LEU A 33 17.986 5.990 2.736 1.00 1.93 H new ATOM 0 HD21 LEU A 33 16.313 3.474 2.199 1.00 1.69 H new ATOM 0 HD22 LEU A 33 15.711 4.863 3.134 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.798 4.278 1.723 1.00 1.69 H new ATOM 496 N ASN A 34 17.536 6.007 -1.330 1.00 0.57 N ATOM 497 CA ASN A 34 17.794 5.188 -2.482 1.00 0.47 C ATOM 498 C ASN A 34 17.387 3.743 -2.168 1.00 0.41 C ATOM 499 O ASN A 34 16.529 3.516 -1.319 1.00 0.56 O ATOM 500 CB ASN A 34 19.283 5.302 -2.739 1.00 0.56 C ATOM 501 CG ASN A 34 19.636 6.511 -3.587 1.00 1.37 C ATOM 502 OD1 ASN A 34 18.966 7.542 -3.527 1.00 2.12 O ATOM 503 ND2 ASN A 34 20.692 6.390 -4.384 1.00 2.11 N ATOM 0 H ASN A 34 18.233 5.910 -0.592 1.00 0.57 H new ATOM 0 HA ASN A 34 17.229 5.500 -3.361 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.809 5.364 -1.786 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.633 4.398 -3.238 1.00 0.56 H new ATOM 0 HD21 ASN A 34 20.975 7.170 -4.977 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.220 5.517 -4.403 1.00 2.11 H new ATOM 510 N ILE A 35 17.964 2.762 -2.855 1.00 0.54 N ATOM 511 CA ILE A 35 17.643 1.381 -2.553 1.00 0.54 C ATOM 512 C ILE A 35 18.741 0.704 -1.750 1.00 0.56 C ATOM 513 O ILE A 35 18.744 -0.516 -1.607 1.00 0.63 O ATOM 514 CB ILE A 35 17.382 0.516 -3.795 1.00 0.60 C ATOM 515 CG1 ILE A 35 18.312 0.951 -4.915 1.00 0.70 C ATOM 516 CG2 ILE A 35 15.919 0.549 -4.210 1.00 0.66 C ATOM 517 CD1 ILE A 35 19.764 0.903 -4.498 1.00 1.05 C ATOM 0 H ILE A 35 18.640 2.897 -3.607 1.00 0.54 H new ATOM 0 HA ILE A 35 16.723 1.448 -1.972 1.00 0.54 H new ATOM 0 HB ILE A 35 17.597 -0.525 -3.554 1.00 0.60 H new ATOM 0 HG12 ILE A 35 18.162 0.306 -5.781 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.057 1.965 -5.224 1.00 0.70 H new ATOM 0 HG21 ILE A 35 15.777 -0.075 -5.092 1.00 0.66 H new ATOM 0 HG22 ILE A 35 15.301 0.172 -3.395 1.00 0.66 H new ATOM 0 HG23 ILE A 35 15.629 1.574 -4.441 1.00 0.66 H new ATOM 0 HD11 ILE A 35 20.392 1.222 -5.330 1.00 1.05 H new ATOM 0 HD12 ILE A 35 19.921 1.568 -3.649 1.00 1.05 H new ATOM 0 HD13 ILE A 35 20.028 -0.116 -4.214 1.00 1.05 H new ATOM 529 N ASN A 36 19.665 1.488 -1.216 1.00 0.59 N ATOM 530 CA ASN A 36 20.769 0.939 -0.432 1.00 0.63 C ATOM 531 C ASN A 36 20.226 0.006 0.625 1.00 0.59 C ATOM 532 O ASN A 36 20.499 -1.193 0.615 1.00 0.59 O ATOM 533 CB ASN A 36 21.580 2.059 0.218 1.00 0.70 C ATOM 534 CG ASN A 36 22.810 1.538 0.934 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.820 0.416 1.439 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.855 2.355 0.983 1.00 1.89 N ATOM 0 H ASN A 36 19.676 2.504 -1.309 1.00 0.59 H new ATOM 0 HA ASN A 36 21.430 0.383 -1.098 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.883 2.775 -0.546 1.00 0.70 H new ATOM 0 HB3 ASN A 36 20.950 2.596 0.927 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.711 2.061 1.453 1.00 1.89 H new ATOM 0 HD22 ASN A 36 23.802 3.277 0.550 1.00 1.89 H new ATOM 543 N GLU A 37 19.468 0.560 1.546 1.00 0.57 N ATOM 544 CA GLU A 37 18.849 -0.253 2.566 1.00 0.56 C ATOM 545 C GLU A 37 17.894 -1.220 1.912 1.00 0.50 C ATOM 546 O GLU A 37 17.752 -2.347 2.357 1.00 0.52 O ATOM 547 CB GLU A 37 18.085 0.600 3.545 1.00 0.66 C ATOM 548 CG GLU A 37 18.921 1.645 4.230 1.00 0.75 C ATOM 549 CD GLU A 37 18.504 1.875 5.669 1.00 0.76 C ATOM 550 OE1 GLU A 37 17.788 1.015 6.224 1.00 1.29 O ATOM 551 OE2 GLU A 37 18.896 2.913 6.243 1.00 1.40 O ATOM 0 H GLU A 37 19.268 1.558 1.609 1.00 0.57 H new ATOM 0 HA GLU A 37 19.630 -0.789 3.104 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.266 1.092 3.020 1.00 0.66 H new ATOM 0 HB3 GLU A 37 17.638 -0.045 4.301 1.00 0.66 H new ATOM 0 HG2 GLU A 37 19.968 1.342 4.203 1.00 0.75 H new ATOM 0 HG3 GLU A 37 18.846 2.583 3.680 1.00 0.75 H new ATOM 558 N PHE A 38 17.219 -0.770 0.851 1.00 0.46 N ATOM 559 CA PHE A 38 16.291 -1.625 0.132 1.00 0.42 C ATOM 560 C PHE A 38 16.934 -2.987 -0.118 1.00 0.45 C ATOM 561 O PHE A 38 16.267 -4.008 -0.138 1.00 0.45 O ATOM 562 CB PHE A 38 15.909 -0.949 -1.183 1.00 0.43 C ATOM 563 CG PHE A 38 14.595 -1.360 -1.777 1.00 0.41 C ATOM 564 CD1 PHE A 38 14.280 -2.688 -2.005 1.00 1.21 C ATOM 565 CD2 PHE A 38 13.672 -0.390 -2.118 1.00 1.30 C ATOM 566 CE1 PHE A 38 13.062 -3.037 -2.559 1.00 1.21 C ATOM 567 CE2 PHE A 38 12.453 -0.730 -2.672 1.00 1.32 C ATOM 568 CZ PHE A 38 12.148 -2.057 -2.894 1.00 0.45 C ATOM 0 H PHE A 38 17.301 0.176 0.478 1.00 0.46 H new ATOM 0 HA PHE A 38 15.388 -1.780 0.723 1.00 0.42 H new ATOM 0 HB2 PHE A 38 15.891 0.129 -1.022 1.00 0.43 H new ATOM 0 HB3 PHE A 38 16.693 -1.150 -1.913 1.00 0.43 H new ATOM 0 HD1 PHE A 38 14.992 -3.459 -1.748 1.00 1.21 H new ATOM 0 HD2 PHE A 38 13.907 0.650 -1.949 1.00 1.30 H new ATOM 0 HE1 PHE A 38 12.825 -4.077 -2.730 1.00 1.21 H new ATOM 0 HE2 PHE A 38 11.741 0.040 -2.930 1.00 1.32 H new ATOM 0 HZ PHE A 38 11.197 -2.329 -3.328 1.00 0.45 H new ATOM 578 N LYS A 39 18.253 -2.988 -0.270 1.00 0.49 N ATOM 579 CA LYS A 39 18.982 -4.221 -0.508 1.00 0.53 C ATOM 580 C LYS A 39 18.927 -5.170 0.665 1.00 0.53 C ATOM 581 O LYS A 39 19.344 -6.320 0.579 1.00 0.56 O ATOM 582 CB LYS A 39 20.413 -3.912 -0.872 1.00 0.61 C ATOM 583 CG LYS A 39 20.488 -2.834 -1.911 1.00 0.67 C ATOM 584 CD LYS A 39 21.810 -2.885 -2.656 1.00 0.71 C ATOM 585 CE LYS A 39 22.064 -1.602 -3.431 1.00 1.47 C ATOM 586 NZ LYS A 39 23.400 -1.600 -4.089 1.00 1.80 N ATOM 0 H LYS A 39 18.835 -2.151 -0.232 1.00 0.49 H new ATOM 0 HA LYS A 39 18.494 -4.727 -1.341 1.00 0.53 H new ATOM 0 HB2 LYS A 39 20.958 -3.600 0.019 1.00 0.61 H new ATOM 0 HB3 LYS A 39 20.899 -4.814 -1.244 1.00 0.61 H new ATOM 0 HG2 LYS A 39 19.665 -2.946 -2.616 1.00 0.67 H new ATOM 0 HG3 LYS A 39 20.371 -1.859 -1.437 1.00 0.67 H new ATOM 0 HD2 LYS A 39 22.622 -3.050 -1.947 1.00 0.71 H new ATOM 0 HD3 LYS A 39 21.809 -3.732 -3.342 1.00 0.71 H new ATOM 0 HE2 LYS A 39 21.288 -1.476 -4.186 1.00 1.47 H new ATOM 0 HE3 LYS A 39 21.992 -0.750 -2.755 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 23.531 -0.707 -4.606 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.143 -1.694 -3.367 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.461 -2.397 -4.754 1.00 1.80 H new ATOM 600 N GLU A 40 18.492 -4.657 1.769 1.00 0.52 N ATOM 601 CA GLU A 40 18.307 -5.466 2.953 1.00 0.56 C ATOM 602 C GLU A 40 16.933 -6.154 2.876 1.00 0.54 C ATOM 603 O GLU A 40 16.616 -7.025 3.688 1.00 0.60 O ATOM 604 CB GLU A 40 18.435 -4.607 4.222 1.00 0.60 C ATOM 605 CG GLU A 40 17.133 -3.971 4.669 1.00 1.09 C ATOM 606 CD GLU A 40 17.324 -2.994 5.814 1.00 1.91 C ATOM 607 OE1 GLU A 40 17.659 -1.821 5.549 1.00 2.43 O ATOM 608 OE2 GLU A 40 17.144 -3.407 6.980 1.00 2.62 O ATOM 0 H GLU A 40 18.253 -3.672 1.887 1.00 0.52 H new ATOM 0 HA GLU A 40 19.083 -6.230 3.003 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.821 -5.227 5.031 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.169 -3.821 4.044 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.678 -3.452 3.825 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.437 -4.752 4.975 1.00 1.09 H new ATOM 615 N LEU A 41 16.116 -5.738 1.892 1.00 0.49 N ATOM 616 CA LEU A 41 14.779 -6.279 1.713 1.00 0.50 C ATOM 617 C LEU A 41 14.805 -7.693 1.166 1.00 0.55 C ATOM 618 O LEU A 41 14.945 -8.626 1.936 1.00 0.62 O ATOM 619 CB LEU A 41 13.951 -5.361 0.812 1.00 0.46 C ATOM 620 CG LEU A 41 13.871 -3.917 1.293 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.829 -3.147 0.501 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.538 -3.872 2.778 1.00 0.66 C ATOM 0 H LEU A 41 16.371 -5.024 1.210 1.00 0.49 H new ATOM 0 HA LEU A 41 14.309 -6.326 2.695 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.377 -5.375 -0.191 1.00 0.46 H new ATOM 0 HB3 LEU A 41 12.941 -5.762 0.734 1.00 0.46 H new ATOM 0 HG LEU A 41 14.843 -3.449 1.135 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.787 -2.118 0.859 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.097 -3.153 -0.555 1.00 0.55 H new ATOM 0 HD13 LEU A 41 11.854 -3.616 0.630 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.484 -2.834 3.108 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.578 -4.358 2.950 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.314 -4.392 3.341 1.00 0.66 H new ATOM 634 N ALA A 42 14.699 -7.855 -0.162 1.00 0.55 N ATOM 635 CA ALA A 42 14.697 -9.171 -0.785 1.00 0.61 C ATOM 636 C ALA A 42 15.655 -10.128 -0.096 1.00 0.67 C ATOM 637 O ALA A 42 15.426 -11.323 -0.056 1.00 0.74 O ATOM 638 CB ALA A 42 15.050 -9.043 -2.235 1.00 0.65 C ATOM 0 H ALA A 42 14.614 -7.081 -0.821 1.00 0.55 H new ATOM 0 HA ALA A 42 13.694 -9.586 -0.685 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.048 -10.030 -2.698 1.00 0.65 H new ATOM 0 HB2 ALA A 42 14.318 -8.407 -2.733 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.041 -8.600 -2.330 1.00 0.65 H new ATOM 644 N THR A 43 16.722 -9.584 0.454 1.00 0.66 N ATOM 645 CA THR A 43 17.699 -10.368 1.162 1.00 0.73 C ATOM 646 C THR A 43 17.075 -11.025 2.399 1.00 0.78 C ATOM 647 O THR A 43 17.192 -12.232 2.595 1.00 0.86 O ATOM 648 CB THR A 43 18.871 -9.467 1.575 1.00 0.72 C ATOM 649 OG1 THR A 43 18.391 -8.141 1.853 1.00 0.66 O ATOM 650 CG2 THR A 43 19.930 -9.410 0.485 1.00 0.75 C ATOM 0 H THR A 43 16.931 -8.586 0.420 1.00 0.66 H new ATOM 0 HA THR A 43 18.062 -11.159 0.506 1.00 0.73 H new ATOM 0 HB THR A 43 19.325 -9.889 2.472 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.864 -7.496 1.287 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.748 -8.765 0.806 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.312 -10.413 0.296 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.490 -9.011 -0.429 1.00 0.75 H new ATOM 658 N GLN A 44 16.470 -10.216 3.264 1.00 0.77 N ATOM 659 CA GLN A 44 15.790 -10.720 4.442 1.00 0.85 C ATOM 660 C GLN A 44 14.392 -11.173 4.069 1.00 0.85 C ATOM 661 O GLN A 44 13.851 -12.115 4.648 1.00 0.94 O ATOM 662 CB GLN A 44 15.741 -9.654 5.538 1.00 0.88 C ATOM 663 CG GLN A 44 17.110 -9.245 6.054 1.00 1.54 C ATOM 664 CD GLN A 44 17.875 -10.407 6.656 1.00 2.05 C ATOM 665 OE1 GLN A 44 18.621 -11.098 5.963 1.00 2.54 O ATOM 666 NE2 GLN A 44 17.690 -10.627 7.951 1.00 2.75 N ATOM 0 H GLN A 44 16.440 -9.201 3.165 1.00 0.77 H new ATOM 0 HA GLN A 44 16.345 -11.573 4.833 1.00 0.85 H new ATOM 0 HB2 GLN A 44 15.230 -8.772 5.152 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.146 -10.029 6.371 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.690 -8.817 5.236 1.00 1.54 H new ATOM 0 HG3 GLN A 44 16.993 -8.463 6.805 1.00 1.54 H new ATOM 0 HE21 GLN A 44 17.061 -10.027 8.485 1.00 2.75 H new ATOM 0 HE22 GLN A 44 18.176 -11.396 8.412 1.00 2.75 H new ATOM 675 N GLN A 45 13.808 -10.481 3.101 1.00 0.78 N ATOM 676 CA GLN A 45 12.496 -10.828 2.612 1.00 0.83 C ATOM 677 C GLN A 45 12.598 -12.155 1.888 1.00 0.79 C ATOM 678 O GLN A 45 11.616 -12.889 1.768 1.00 0.80 O ATOM 679 CB GLN A 45 11.949 -9.745 1.670 1.00 0.93 C ATOM 680 CG GLN A 45 11.787 -8.355 2.292 1.00 0.97 C ATOM 681 CD GLN A 45 12.013 -8.317 3.791 1.00 1.36 C ATOM 682 OE1 GLN A 45 11.077 -8.463 4.579 1.00 2.34 O ATOM 683 NE2 GLN A 45 13.261 -8.121 4.186 1.00 1.43 N ATOM 0 H GLN A 45 14.230 -9.674 2.642 1.00 0.78 H new ATOM 0 HA GLN A 45 11.804 -10.906 3.451 1.00 0.83 H new ATOM 0 HB2 GLN A 45 12.615 -9.665 0.811 1.00 0.93 H new ATOM 0 HB3 GLN A 45 10.980 -10.071 1.293 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.487 -7.670 1.812 1.00 0.97 H new ATOM 0 HG3 GLN A 45 10.784 -7.987 2.077 1.00 0.97 H new ATOM 0 HE21 GLN A 45 14.002 -8.005 3.495 1.00 1.43 H new ATOM 0 HE22 GLN A 45 13.481 -8.086 5.181 1.00 1.43 H new ATOM 692 N LEU A 46 13.813 -12.464 1.400 1.00 0.78 N ATOM 693 CA LEU A 46 14.072 -13.724 0.722 1.00 0.78 C ATOM 694 C LEU A 46 13.454 -14.824 1.550 1.00 0.74 C ATOM 695 O LEU A 46 12.412 -15.346 1.178 1.00 0.75 O ATOM 696 CB LEU A 46 15.578 -13.981 0.537 1.00 0.83 C ATOM 697 CG LEU A 46 16.125 -13.888 -0.889 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.619 -14.173 -0.894 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.399 -14.865 -1.797 1.00 1.30 C ATOM 0 H LEU A 46 14.625 -11.850 1.468 1.00 0.78 H new ATOM 0 HA LEU A 46 13.636 -13.691 -0.276 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.123 -13.268 1.157 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.803 -14.976 0.923 1.00 0.83 H new ATOM 0 HG LEU A 46 15.959 -12.878 -1.264 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.999 -14.104 -1.913 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.131 -13.444 -0.266 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.799 -15.176 -0.506 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.799 -14.788 -2.808 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.542 -15.880 -1.427 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.335 -14.629 -1.808 1.00 1.30 H new ATOM 711 N PRO A 47 14.026 -15.163 2.727 1.00 0.78 N ATOM 712 CA PRO A 47 13.415 -16.199 3.523 1.00 0.80 C ATOM 713 C PRO A 47 12.268 -15.657 4.350 1.00 0.77 C ATOM 714 O PRO A 47 12.441 -15.198 5.479 1.00 0.81 O ATOM 715 CB PRO A 47 14.558 -16.603 4.450 1.00 0.90 C ATOM 716 CG PRO A 47 15.349 -15.351 4.638 1.00 0.95 C ATOM 717 CD PRO A 47 15.226 -14.580 3.351 1.00 0.90 C ATOM 0 HA PRO A 47 13.001 -17.009 2.923 1.00 0.80 H new ATOM 0 HB2 PRO A 47 14.183 -16.982 5.401 1.00 0.90 H new ATOM 0 HB3 PRO A 47 15.165 -17.394 4.009 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.966 -14.771 5.478 1.00 0.95 H new ATOM 0 HG3 PRO A 47 16.392 -15.579 4.857 1.00 0.95 H new ATOM 0 HD2 PRO A 47 15.108 -13.511 3.531 1.00 0.90 H new ATOM 0 HD3 PRO A 47 16.108 -14.702 2.722 1.00 0.90 H new ATOM 725 N HIS A 48 11.099 -15.716 3.754 1.00 0.73 N ATOM 726 CA HIS A 48 9.853 -15.361 4.403 1.00 0.74 C ATOM 727 C HIS A 48 9.163 -16.623 4.873 1.00 0.83 C ATOM 728 O HIS A 48 9.788 -17.675 5.005 1.00 0.91 O ATOM 729 CB HIS A 48 8.946 -14.571 3.459 1.00 0.73 C ATOM 730 CG HIS A 48 8.647 -13.203 3.974 1.00 0.98 C ATOM 731 ND1 HIS A 48 7.560 -12.919 4.770 1.00 1.87 N ATOM 732 CD2 HIS A 48 9.323 -12.042 3.833 1.00 1.34 C ATOM 733 CE1 HIS A 48 7.581 -11.640 5.097 1.00 2.04 C ATOM 734 NE2 HIS A 48 8.642 -11.087 4.542 1.00 1.61 N ATOM 0 H HIS A 48 10.983 -16.017 2.786 1.00 0.73 H new ATOM 0 HA HIS A 48 10.068 -14.723 5.260 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.422 -14.493 2.482 1.00 0.73 H new ATOM 0 HB3 HIS A 48 8.012 -15.115 3.316 1.00 0.73 H new ATOM 0 HD2 HIS A 48 10.231 -11.894 3.267 1.00 1.34 H new ATOM 0 HE1 HIS A 48 6.854 -11.133 5.714 1.00 2.04 H new ATOM 0 HE2 HIS A 48 8.912 -10.107 4.627 1.00 1.61 H new ATOM 743 N LEU A 49 7.871 -16.511 5.132 1.00 0.88 N ATOM 744 CA LEU A 49 7.078 -17.678 5.439 1.00 1.00 C ATOM 745 C LEU A 49 6.734 -18.289 4.082 1.00 0.98 C ATOM 746 O LEU A 49 7.424 -19.186 3.600 1.00 1.02 O ATOM 747 CB LEU A 49 5.818 -17.313 6.230 1.00 1.10 C ATOM 748 CG LEU A 49 6.058 -16.934 7.691 1.00 1.62 C ATOM 749 CD1 LEU A 49 4.743 -16.604 8.380 1.00 2.02 C ATOM 750 CD2 LEU A 49 6.776 -18.061 8.421 1.00 2.44 C ATOM 0 H LEU A 49 7.357 -15.630 5.135 1.00 0.88 H new ATOM 0 HA LEU A 49 7.619 -18.380 6.074 1.00 1.00 H new ATOM 0 HB2 LEU A 49 5.323 -16.480 5.731 1.00 1.10 H new ATOM 0 HB3 LEU A 49 5.130 -18.158 6.198 1.00 1.10 H new ATOM 0 HG LEU A 49 6.691 -16.047 7.718 1.00 1.62 H new ATOM 0 HD11 LEU A 49 4.934 -16.337 9.419 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.266 -15.766 7.871 1.00 2.02 H new ATOM 0 HD13 LEU A 49 4.085 -17.472 8.344 1.00 2.02 H new ATOM 0 HD21 LEU A 49 6.939 -17.775 9.460 1.00 2.44 H new ATOM 0 HD22 LEU A 49 6.167 -18.964 8.384 1.00 2.44 H new ATOM 0 HD23 LEU A 49 7.736 -18.251 7.942 1.00 2.44 H new ATOM 762 N LEU A 50 5.659 -17.792 3.471 1.00 0.98 N ATOM 763 CA LEU A 50 5.272 -18.208 2.129 1.00 1.01 C ATOM 764 C LEU A 50 6.026 -17.351 1.103 1.00 0.92 C ATOM 765 O LEU A 50 5.416 -16.736 0.228 1.00 1.01 O ATOM 766 CB LEU A 50 3.764 -18.067 1.932 1.00 1.11 C ATOM 767 CG LEU A 50 3.238 -18.579 0.591 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.615 -20.039 0.394 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.731 -18.399 0.509 1.00 2.25 C ATOM 0 H LEU A 50 5.040 -17.098 3.889 1.00 0.98 H new ATOM 0 HA LEU A 50 5.531 -19.258 1.991 1.00 1.01 H new ATOM 0 HB2 LEU A 50 3.256 -18.604 2.733 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.496 -17.015 2.033 1.00 1.11 H new ATOM 0 HG LEU A 50 3.698 -17.996 -0.207 1.00 1.60 H new ATOM 0 HD11 LEU A 50 3.233 -20.387 -0.566 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.700 -20.140 0.410 1.00 1.97 H new ATOM 0 HD13 LEU A 50 3.183 -20.638 1.196 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.372 -18.768 -0.452 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.253 -18.958 1.314 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.485 -17.342 0.606 1.00 2.25 H new ATOM 781 N LYS A 51 7.353 -17.316 1.219 1.00 0.85 N ATOM 782 CA LYS A 51 8.200 -16.508 0.348 1.00 0.81 C ATOM 783 C LYS A 51 7.730 -16.501 -1.102 1.00 0.88 C ATOM 784 O LYS A 51 7.016 -17.394 -1.558 1.00 1.03 O ATOM 785 CB LYS A 51 9.651 -17.008 0.421 1.00 0.97 C ATOM 786 CG LYS A 51 10.582 -16.414 -0.645 1.00 1.23 C ATOM 787 CD LYS A 51 11.958 -17.098 -0.729 1.00 2.11 C ATOM 788 CE LYS A 51 12.280 -17.989 0.469 1.00 2.68 C ATOM 789 NZ LYS A 51 13.687 -18.471 0.442 1.00 3.58 N ATOM 0 H LYS A 51 7.869 -17.848 1.920 1.00 0.85 H new ATOM 0 HA LYS A 51 8.135 -15.481 0.708 1.00 0.81 H new ATOM 0 HB2 LYS A 51 10.053 -16.776 1.407 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.653 -18.094 0.324 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.094 -16.483 -1.617 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.727 -15.354 -0.435 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.999 -17.699 -1.638 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.729 -16.332 -0.818 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.104 -17.435 1.391 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.604 -18.844 0.477 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 13.864 -19.072 1.272 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 13.849 -19.022 -0.425 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 14.333 -17.656 0.460 1.00 3.58 H new ATOM 803 N ASP A 52 8.157 -15.459 -1.801 1.00 0.92 N ATOM 804 CA ASP A 52 7.845 -15.269 -3.212 1.00 1.17 C ATOM 805 C ASP A 52 9.023 -15.710 -4.078 1.00 1.23 C ATOM 806 O ASP A 52 8.818 -16.255 -5.161 1.00 1.47 O ATOM 807 CB ASP A 52 7.506 -13.803 -3.485 1.00 1.29 C ATOM 808 CG ASP A 52 6.103 -13.445 -3.036 1.00 1.87 C ATOM 809 OD1 ASP A 52 5.756 -13.751 -1.876 1.00 2.61 O ATOM 810 OD2 ASP A 52 5.352 -12.864 -3.846 1.00 2.35 O ATOM 0 H ASP A 52 8.733 -14.717 -1.404 1.00 0.92 H new ATOM 0 HA ASP A 52 6.979 -15.881 -3.464 1.00 1.17 H new ATOM 0 HB2 ASP A 52 8.224 -13.164 -2.971 1.00 1.29 H new ATOM 0 HB3 ASP A 52 7.607 -13.601 -4.551 1.00 1.29 H new ATOM 815 N VAL A 53 10.248 -15.445 -3.569 1.00 1.13 N ATOM 816 CA VAL A 53 11.533 -15.803 -4.197 1.00 1.26 C ATOM 817 C VAL A 53 12.336 -14.561 -4.582 1.00 1.24 C ATOM 818 O VAL A 53 12.274 -14.093 -5.720 1.00 1.48 O ATOM 819 CB VAL A 53 11.373 -16.711 -5.430 1.00 1.57 C ATOM 820 CG1 VAL A 53 12.698 -16.917 -6.162 1.00 2.17 C ATOM 821 CG2 VAL A 53 10.777 -18.057 -5.040 1.00 1.91 C ATOM 0 H VAL A 53 10.369 -14.960 -2.680 1.00 1.13 H new ATOM 0 HA VAL A 53 12.077 -16.366 -3.439 1.00 1.26 H new ATOM 0 HB VAL A 53 10.689 -16.205 -6.111 1.00 1.57 H new ATOM 0 HG11 VAL A 53 12.540 -17.564 -7.025 1.00 2.17 H new ATOM 0 HG12 VAL A 53 13.083 -15.953 -6.496 1.00 2.17 H new ATOM 0 HG13 VAL A 53 13.418 -17.381 -5.488 1.00 2.17 H new ATOM 0 HG21 VAL A 53 10.674 -18.680 -5.928 1.00 1.91 H new ATOM 0 HG22 VAL A 53 11.433 -18.552 -4.324 1.00 1.91 H new ATOM 0 HG23 VAL A 53 9.797 -17.904 -4.589 1.00 1.91 H new ATOM 831 N GLY A 54 13.091 -14.039 -3.621 1.00 1.06 N ATOM 832 CA GLY A 54 13.928 -12.877 -3.864 1.00 1.11 C ATOM 833 C GLY A 54 15.066 -13.180 -4.819 1.00 1.14 C ATOM 834 O GLY A 54 16.236 -13.087 -4.449 1.00 1.24 O ATOM 0 H GLY A 54 13.138 -14.404 -2.670 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.318 -12.071 -4.272 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.335 -12.520 -2.918 1.00 1.11 H new ATOM 838 N SER A 55 14.725 -13.550 -6.050 1.00 1.18 N ATOM 839 CA SER A 55 15.729 -13.869 -7.058 1.00 1.25 C ATOM 840 C SER A 55 16.698 -12.708 -7.239 1.00 1.11 C ATOM 841 O SER A 55 16.281 -11.567 -7.431 1.00 1.10 O ATOM 842 CB SER A 55 15.057 -14.206 -8.386 1.00 1.41 C ATOM 843 OG SER A 55 16.002 -14.243 -9.442 1.00 1.61 O ATOM 0 H SER A 55 13.761 -13.636 -6.373 1.00 1.18 H new ATOM 0 HA SER A 55 16.292 -14.738 -6.718 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.556 -15.171 -8.309 1.00 1.41 H new ATOM 0 HB3 SER A 55 14.289 -13.465 -8.607 1.00 1.41 H new ATOM 0 HG SER A 55 15.546 -14.462 -10.281 1.00 1.61 H new ATOM 849 N LEU A 56 17.995 -13.013 -7.202 1.00 1.15 N ATOM 850 CA LEU A 56 19.041 -11.997 -7.338 1.00 1.10 C ATOM 851 C LEU A 56 18.689 -10.950 -8.386 1.00 0.98 C ATOM 852 O LEU A 56 18.645 -9.758 -8.083 1.00 0.97 O ATOM 853 CB LEU A 56 20.381 -12.651 -7.688 1.00 1.28 C ATOM 854 CG LEU A 56 21.139 -13.267 -6.510 1.00 2.03 C ATOM 855 CD1 LEU A 56 21.598 -12.184 -5.546 1.00 2.61 C ATOM 856 CD2 LEU A 56 20.274 -14.291 -5.790 1.00 2.83 C ATOM 0 H LEU A 56 18.349 -13.962 -7.078 1.00 1.15 H new ATOM 0 HA LEU A 56 19.123 -11.491 -6.376 1.00 1.10 H new ATOM 0 HB2 LEU A 56 20.203 -13.429 -8.430 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.020 -11.903 -8.157 1.00 1.28 H new ATOM 0 HG LEU A 56 22.020 -13.777 -6.900 1.00 2.03 H new ATOM 0 HD11 LEU A 56 22.135 -12.641 -4.715 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.257 -11.489 -6.066 1.00 2.61 H new ATOM 0 HD13 LEU A 56 20.731 -11.645 -5.165 1.00 2.61 H new ATOM 0 HD21 LEU A 56 20.832 -14.717 -4.956 1.00 2.83 H new ATOM 0 HD22 LEU A 56 19.373 -13.806 -5.414 1.00 2.83 H new ATOM 0 HD23 LEU A 56 19.996 -15.085 -6.484 1.00 2.83 H new ATOM 868 N ASP A 57 18.433 -11.385 -9.615 1.00 1.00 N ATOM 869 CA ASP A 57 18.076 -10.453 -10.677 1.00 1.01 C ATOM 870 C ASP A 57 16.994 -9.503 -10.204 1.00 0.95 C ATOM 871 O ASP A 57 17.157 -8.285 -10.237 1.00 0.96 O ATOM 872 CB ASP A 57 17.562 -11.178 -11.905 1.00 1.15 C ATOM 873 CG ASP A 57 18.657 -11.499 -12.903 1.00 1.69 C ATOM 874 OD1 ASP A 57 19.003 -10.613 -13.711 1.00 2.48 O ATOM 875 OD2 ASP A 57 19.167 -12.639 -12.877 1.00 2.20 O ATOM 0 H ASP A 57 18.465 -12.364 -9.898 1.00 1.00 H new ATOM 0 HA ASP A 57 18.981 -9.903 -10.935 1.00 1.01 H new ATOM 0 HB2 ASP A 57 17.076 -12.104 -11.597 1.00 1.15 H new ATOM 0 HB3 ASP A 57 16.803 -10.565 -12.391 1.00 1.15 H new ATOM 880 N GLU A 58 15.890 -10.086 -9.747 1.00 0.94 N ATOM 881 CA GLU A 58 14.763 -9.317 -9.250 1.00 0.95 C ATOM 882 C GLU A 58 15.252 -8.299 -8.244 1.00 0.87 C ATOM 883 O GLU A 58 14.830 -7.145 -8.254 1.00 0.90 O ATOM 884 CB GLU A 58 13.722 -10.240 -8.613 1.00 0.98 C ATOM 885 CG GLU A 58 12.767 -10.851 -9.624 1.00 1.43 C ATOM 886 CD GLU A 58 13.469 -11.751 -10.621 1.00 1.80 C ATOM 887 OE1 GLU A 58 14.150 -11.220 -11.524 1.00 2.42 O ATOM 888 OE2 GLU A 58 13.338 -12.987 -10.501 1.00 2.29 O ATOM 0 H GLU A 58 15.755 -11.096 -9.712 1.00 0.94 H new ATOM 0 HA GLU A 58 14.290 -8.798 -10.084 1.00 0.95 H new ATOM 0 HB2 GLU A 58 14.234 -11.039 -8.077 1.00 0.98 H new ATOM 0 HB3 GLU A 58 13.149 -9.677 -7.876 1.00 0.98 H new ATOM 0 HG2 GLU A 58 12.004 -11.424 -9.097 1.00 1.43 H new ATOM 0 HG3 GLU A 58 12.252 -10.053 -10.160 1.00 1.43 H new ATOM 895 N LYS A 59 16.165 -8.733 -7.384 1.00 0.81 N ATOM 896 CA LYS A 59 16.716 -7.845 -6.387 1.00 0.76 C ATOM 897 C LYS A 59 17.642 -6.818 -7.033 1.00 0.80 C ATOM 898 O LYS A 59 17.886 -5.754 -6.472 1.00 0.79 O ATOM 899 CB LYS A 59 17.437 -8.630 -5.278 1.00 0.75 C ATOM 900 CG LYS A 59 16.633 -9.825 -4.763 1.00 0.75 C ATOM 901 CD LYS A 59 17.331 -10.558 -3.620 1.00 1.14 C ATOM 902 CE LYS A 59 18.622 -11.211 -4.068 1.00 1.95 C ATOM 903 NZ LYS A 59 19.431 -11.693 -2.914 1.00 2.67 N ATOM 0 H LYS A 59 16.532 -9.685 -7.362 1.00 0.81 H new ATOM 0 HA LYS A 59 15.891 -7.307 -5.920 1.00 0.76 H new ATOM 0 HB2 LYS A 59 18.396 -8.982 -5.657 1.00 0.75 H new ATOM 0 HB3 LYS A 59 17.650 -7.958 -4.446 1.00 0.75 H new ATOM 0 HG2 LYS A 59 15.655 -9.481 -4.425 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.460 -10.521 -5.583 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.541 -9.855 -2.814 1.00 1.14 H new ATOM 0 HD3 LYS A 59 16.662 -11.317 -3.215 1.00 1.14 H new ATOM 0 HE2 LYS A 59 18.395 -12.049 -4.727 1.00 1.95 H new ATOM 0 HE3 LYS A 59 19.207 -10.498 -4.649 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.420 -11.394 -3.034 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.053 -11.291 -2.033 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 19.386 -12.731 -2.868 1.00 2.67 H new ATOM 917 N MET A 60 18.167 -7.155 -8.207 1.00 0.86 N ATOM 918 CA MET A 60 19.051 -6.267 -8.943 1.00 0.92 C ATOM 919 C MET A 60 18.283 -5.234 -9.779 1.00 0.96 C ATOM 920 O MET A 60 18.773 -4.131 -10.018 1.00 1.01 O ATOM 921 CB MET A 60 19.961 -7.084 -9.861 1.00 1.00 C ATOM 922 CG MET A 60 20.960 -7.955 -9.116 1.00 1.00 C ATOM 923 SD MET A 60 22.235 -6.991 -8.283 1.00 1.73 S ATOM 924 CE MET A 60 23.246 -8.295 -7.584 1.00 2.31 C ATOM 0 H MET A 60 17.991 -8.047 -8.670 1.00 0.86 H new ATOM 0 HA MET A 60 19.643 -5.723 -8.207 1.00 0.92 H new ATOM 0 HB2 MET A 60 19.344 -7.718 -10.498 1.00 1.00 H new ATOM 0 HB3 MET A 60 20.504 -6.404 -10.518 1.00 1.00 H new ATOM 0 HG2 MET A 60 20.430 -8.562 -8.381 1.00 1.00 H new ATOM 0 HG3 MET A 60 21.431 -8.643 -9.818 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.079 -7.855 -7.036 1.00 2.31 H new ATOM 0 HE2 MET A 60 22.643 -8.898 -6.905 1.00 2.31 H new ATOM 0 HE3 MET A 60 23.631 -8.926 -8.385 1.00 2.31 H new ATOM 934 N LYS A 61 17.083 -5.603 -10.219 1.00 0.97 N ATOM 935 CA LYS A 61 16.267 -4.727 -11.075 1.00 1.02 C ATOM 936 C LYS A 61 15.530 -3.675 -10.270 1.00 0.96 C ATOM 937 O LYS A 61 15.894 -2.500 -10.283 1.00 0.92 O ATOM 938 CB LYS A 61 15.245 -5.526 -11.903 1.00 1.08 C ATOM 939 CG LYS A 61 15.464 -7.028 -11.905 1.00 1.55 C ATOM 940 CD LYS A 61 14.502 -7.733 -12.847 1.00 2.07 C ATOM 941 CE LYS A 61 13.055 -7.482 -12.454 1.00 2.59 C ATOM 942 NZ LYS A 61 12.102 -8.162 -13.374 1.00 3.16 N ATOM 0 H LYS A 61 16.649 -6.500 -10.001 1.00 0.97 H new ATOM 0 HA LYS A 61 16.967 -4.233 -11.750 1.00 1.02 H new ATOM 0 HB2 LYS A 61 14.246 -5.319 -11.519 1.00 1.08 H new ATOM 0 HB3 LYS A 61 15.272 -5.167 -12.932 1.00 1.08 H new ATOM 0 HG2 LYS A 61 16.490 -7.246 -12.202 1.00 1.55 H new ATOM 0 HG3 LYS A 61 15.335 -7.416 -10.895 1.00 1.55 H new ATOM 0 HD2 LYS A 61 14.669 -7.386 -13.867 1.00 2.07 H new ATOM 0 HD3 LYS A 61 14.702 -8.804 -12.839 1.00 2.07 H new ATOM 0 HE2 LYS A 61 12.890 -7.834 -11.436 1.00 2.59 H new ATOM 0 HE3 LYS A 61 12.859 -6.410 -12.457 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 11.127 -7.965 -13.071 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 12.242 -7.808 -14.342 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 12.271 -9.188 -13.353 1.00 3.16 H new ATOM 956 N THR A 62 14.488 -4.107 -9.565 1.00 0.98 N ATOM 957 CA THR A 62 13.674 -3.200 -8.756 1.00 0.96 C ATOM 958 C THR A 62 14.559 -2.225 -7.988 1.00 0.86 C ATOM 959 O THR A 62 14.165 -1.098 -7.689 1.00 0.84 O ATOM 960 CB THR A 62 12.782 -3.972 -7.764 1.00 1.02 C ATOM 961 OG1 THR A 62 11.956 -4.906 -8.470 1.00 1.12 O ATOM 962 CG2 THR A 62 11.905 -3.016 -6.970 1.00 1.05 C ATOM 0 H THR A 62 14.186 -5.081 -9.537 1.00 0.98 H new ATOM 0 HA THR A 62 13.031 -2.646 -9.440 1.00 0.96 H new ATOM 0 HB THR A 62 13.429 -4.510 -7.072 1.00 1.02 H new ATOM 0 HG1 THR A 62 11.394 -5.393 -7.832 1.00 1.12 H new ATOM 0 HG21 THR A 62 11.284 -3.583 -6.276 1.00 1.05 H new ATOM 0 HG22 THR A 62 12.535 -2.324 -6.411 1.00 1.05 H new ATOM 0 HG23 THR A 62 11.267 -2.455 -7.653 1.00 1.05 H new ATOM 970 N LEU A 63 15.760 -2.690 -7.677 1.00 0.86 N ATOM 971 CA LEU A 63 16.750 -1.897 -6.977 1.00 0.84 C ATOM 972 C LEU A 63 16.921 -0.536 -7.642 1.00 0.80 C ATOM 973 O LEU A 63 16.429 0.473 -7.144 1.00 0.89 O ATOM 974 CB LEU A 63 18.063 -2.671 -6.969 1.00 0.95 C ATOM 975 CG LEU A 63 19.231 -2.003 -6.257 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.230 -3.052 -5.796 1.00 1.05 C ATOM 977 CD2 LEU A 63 19.913 -0.984 -7.160 1.00 1.40 C ATOM 0 H LEU A 63 16.073 -3.633 -7.906 1.00 0.86 H new ATOM 0 HA LEU A 63 16.425 -1.715 -5.953 1.00 0.84 H new ATOM 0 HB2 LEU A 63 17.887 -3.641 -6.503 1.00 0.95 H new ATOM 0 HB3 LEU A 63 18.355 -2.862 -8.002 1.00 0.95 H new ATOM 0 HG LEU A 63 18.843 -1.475 -5.386 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.062 -2.564 -5.288 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.741 -3.743 -5.110 1.00 1.05 H new ATOM 0 HD13 LEU A 63 20.605 -3.602 -6.659 1.00 1.05 H new ATOM 0 HD21 LEU A 63 20.743 -0.522 -6.626 1.00 1.40 H new ATOM 0 HD22 LEU A 63 20.289 -1.483 -8.053 1.00 1.40 H new ATOM 0 HD23 LEU A 63 19.196 -0.216 -7.449 1.00 1.40 H new ATOM 989 N ASP A 64 17.609 -0.510 -8.774 1.00 0.79 N ATOM 990 CA ASP A 64 17.826 0.739 -9.493 1.00 0.82 C ATOM 991 C ASP A 64 16.496 1.412 -9.823 1.00 0.82 C ATOM 992 O ASP A 64 16.450 2.611 -10.099 1.00 0.89 O ATOM 993 CB ASP A 64 18.618 0.484 -10.775 1.00 0.91 C ATOM 994 CG ASP A 64 18.866 1.755 -11.565 1.00 1.35 C ATOM 995 OD1 ASP A 64 17.995 2.126 -12.381 1.00 1.99 O ATOM 996 OD2 ASP A 64 19.930 2.378 -11.368 1.00 2.05 O ATOM 0 H ASP A 64 18.024 -1.332 -9.213 1.00 0.79 H new ATOM 0 HA ASP A 64 18.400 1.406 -8.850 1.00 0.82 H new ATOM 0 HB2 ASP A 64 19.574 0.024 -10.523 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.076 -0.228 -11.398 1.00 0.91 H new ATOM 1001 N VAL A 65 15.415 0.634 -9.796 1.00 0.82 N ATOM 1002 CA VAL A 65 14.092 1.158 -10.094 1.00 0.87 C ATOM 1003 C VAL A 65 13.502 1.933 -8.913 1.00 0.77 C ATOM 1004 O VAL A 65 13.473 3.165 -8.926 1.00 0.82 O ATOM 1005 CB VAL A 65 13.121 0.026 -10.500 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.735 0.583 -10.789 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.660 -0.721 -11.711 1.00 1.07 C ATOM 0 H VAL A 65 15.434 -0.361 -9.570 1.00 0.82 H new ATOM 0 HA VAL A 65 14.213 1.846 -10.931 1.00 0.87 H new ATOM 0 HB VAL A 65 13.039 -0.673 -9.668 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.068 -0.231 -11.073 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.348 1.076 -9.897 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.795 1.304 -11.604 1.00 1.06 H new ATOM 0 HG21 VAL A 65 12.967 -1.516 -11.987 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.770 -0.029 -12.546 1.00 1.07 H new ATOM 0 HG23 VAL A 65 14.631 -1.154 -11.469 1.00 1.07 H new ATOM 1017 N ASN A 66 13.033 1.213 -7.895 1.00 0.72 N ATOM 1018 CA ASN A 66 12.415 1.850 -6.730 1.00 0.68 C ATOM 1019 C ASN A 66 13.440 2.368 -5.721 1.00 0.57 C ATOM 1020 O ASN A 66 13.337 2.070 -4.531 1.00 0.57 O ATOM 1021 CB ASN A 66 11.447 0.893 -6.015 1.00 0.82 C ATOM 1022 CG ASN A 66 10.623 0.043 -6.968 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.057 -0.288 -8.072 1.00 1.51 O ATOM 1024 ND2 ASN A 66 9.421 -0.322 -6.538 1.00 1.10 N ATOM 0 H ASN A 66 13.068 0.195 -7.852 1.00 0.72 H new ATOM 0 HA ASN A 66 11.864 2.705 -7.122 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.017 0.238 -5.356 1.00 0.82 H new ATOM 0 HB3 ASN A 66 10.774 1.474 -5.384 1.00 0.82 H new ATOM 0 HD21 ASN A 66 8.821 -0.897 -7.129 1.00 1.10 H new ATOM 0 HD22 ASN A 66 9.098 -0.027 -5.617 1.00 1.10 H new ATOM 1031 N GLN A 67 14.423 3.142 -6.173 1.00 0.62 N ATOM 1032 CA GLN A 67 15.409 3.691 -5.244 1.00 0.68 C ATOM 1033 C GLN A 67 14.773 4.748 -4.385 1.00 0.61 C ATOM 1034 O GLN A 67 15.092 4.887 -3.208 1.00 0.66 O ATOM 1035 CB GLN A 67 16.635 4.264 -5.946 1.00 0.88 C ATOM 1036 CG GLN A 67 16.368 5.059 -7.203 1.00 0.74 C ATOM 1037 CD GLN A 67 15.543 6.298 -6.990 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.951 7.222 -6.286 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.370 6.323 -7.614 1.00 1.36 N ATOM 0 H GLN A 67 14.558 3.399 -7.151 1.00 0.62 H new ATOM 0 HA GLN A 67 15.755 2.862 -4.626 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.167 4.904 -5.241 1.00 0.88 H new ATOM 0 HB3 GLN A 67 17.304 3.440 -6.196 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.322 5.344 -7.648 1.00 0.74 H new ATOM 0 HG3 GLN A 67 15.859 4.418 -7.923 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.080 5.530 -8.186 1.00 1.36 H new ATOM 0 HE22 GLN A 67 13.760 7.135 -7.521 1.00 1.36 H new ATOM 1048 N ASP A 68 13.850 5.470 -4.982 1.00 0.59 N ATOM 1049 CA ASP A 68 13.141 6.511 -4.288 1.00 0.62 C ATOM 1050 C ASP A 68 11.977 5.918 -3.497 1.00 0.59 C ATOM 1051 O ASP A 68 11.188 6.654 -2.906 1.00 0.66 O ATOM 1052 CB ASP A 68 12.668 7.582 -5.263 1.00 0.74 C ATOM 1053 CG ASP A 68 13.760 8.581 -5.602 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.259 9.253 -4.675 1.00 1.62 O ATOM 1055 OD2 ASP A 68 14.106 8.699 -6.796 1.00 1.51 O ATOM 0 H ASP A 68 13.574 5.350 -5.957 1.00 0.59 H new ATOM 0 HA ASP A 68 13.819 6.990 -3.581 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.318 7.106 -6.179 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.817 8.110 -4.833 1.00 0.74 H new ATOM 1060 N SER A 69 11.889 4.567 -3.476 1.00 0.56 N ATOM 1061 CA SER A 69 10.861 3.839 -2.731 1.00 0.59 C ATOM 1062 C SER A 69 10.651 4.528 -1.411 1.00 0.63 C ATOM 1063 O SER A 69 9.552 4.576 -0.871 1.00 0.75 O ATOM 1064 CB SER A 69 11.323 2.401 -2.503 1.00 0.68 C ATOM 1065 OG SER A 69 10.430 1.702 -1.662 1.00 1.75 O ATOM 0 H SER A 69 12.535 3.959 -3.980 1.00 0.56 H new ATOM 0 HA SER A 69 9.926 3.824 -3.291 1.00 0.59 H new ATOM 0 HB2 SER A 69 11.402 1.886 -3.461 1.00 0.68 H new ATOM 0 HB3 SER A 69 12.318 2.403 -2.059 1.00 0.68 H new ATOM 0 HG SER A 69 10.938 1.131 -1.048 1.00 1.75 H new ATOM 1071 N GLU A 70 11.754 5.053 -0.909 1.00 0.64 N ATOM 1072 CA GLU A 70 11.749 5.824 0.302 1.00 0.76 C ATOM 1073 C GLU A 70 12.246 7.218 0.013 1.00 0.78 C ATOM 1074 O GLU A 70 13.184 7.419 -0.757 1.00 0.81 O ATOM 1075 CB GLU A 70 12.627 5.243 1.375 1.00 0.85 C ATOM 1076 CG GLU A 70 12.760 6.206 2.538 1.00 1.33 C ATOM 1077 CD GLU A 70 13.179 5.547 3.812 1.00 2.19 C ATOM 1078 OE1 GLU A 70 13.109 4.308 3.894 1.00 2.88 O ATOM 1079 OE2 GLU A 70 13.580 6.277 4.739 1.00 2.72 O ATOM 0 H GLU A 70 12.675 4.952 -1.336 1.00 0.64 H new ATOM 0 HA GLU A 70 10.720 5.823 0.662 1.00 0.76 H new ATOM 0 HB2 GLU A 70 12.207 4.299 1.724 1.00 0.85 H new ATOM 0 HB3 GLU A 70 13.612 5.022 0.965 1.00 0.85 H new ATOM 0 HG2 GLU A 70 13.487 6.976 2.280 1.00 1.33 H new ATOM 0 HG3 GLU A 70 11.805 6.708 2.695 1.00 1.33 H new ATOM 1086 N LEU A 71 11.606 8.169 0.641 1.00 0.79 N ATOM 1087 CA LEU A 71 11.973 9.537 0.461 1.00 0.83 C ATOM 1088 C LEU A 71 11.745 10.371 1.705 1.00 0.81 C ATOM 1089 O LEU A 71 11.055 9.964 2.640 1.00 0.86 O ATOM 1090 CB LEU A 71 11.227 10.116 -0.725 1.00 0.99 C ATOM 1091 CG LEU A 71 9.725 9.923 -0.688 1.00 0.79 C ATOM 1092 CD1 LEU A 71 9.371 8.446 -0.804 1.00 1.89 C ATOM 1093 CD2 LEU A 71 9.159 10.562 0.561 1.00 1.26 C ATOM 0 H LEU A 71 10.827 8.015 1.282 1.00 0.79 H new ATOM 0 HA LEU A 71 13.045 9.568 0.265 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.440 11.183 -0.784 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.615 9.662 -1.637 1.00 0.99 H new ATOM 0 HG LEU A 71 9.270 10.419 -1.545 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.288 8.328 -0.775 1.00 1.89 H new ATOM 0 HD12 LEU A 71 9.754 8.053 -1.746 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.818 7.899 0.026 1.00 1.89 H new ATOM 0 HD21 LEU A 71 8.078 10.421 0.584 1.00 1.26 H new ATOM 0 HD22 LEU A 71 9.604 10.098 1.441 1.00 1.26 H new ATOM 0 HD23 LEU A 71 9.386 11.628 0.559 1.00 1.26 H new ATOM 1105 N ARG A 72 12.338 11.540 1.689 1.00 0.77 N ATOM 1106 CA ARG A 72 12.190 12.511 2.746 1.00 0.79 C ATOM 1107 C ARG A 72 11.341 13.668 2.210 1.00 0.68 C ATOM 1108 O ARG A 72 11.022 14.604 2.940 1.00 0.75 O ATOM 1109 CB ARG A 72 13.546 13.074 3.171 1.00 0.91 C ATOM 1110 CG ARG A 72 14.730 12.157 2.933 1.00 1.00 C ATOM 1111 CD ARG A 72 14.513 10.768 3.498 1.00 1.06 C ATOM 1112 NE ARG A 72 13.995 10.802 4.863 1.00 1.30 N ATOM 1113 CZ ARG A 72 13.280 9.822 5.408 1.00 1.18 C ATOM 1114 NH1 ARG A 72 12.997 8.730 4.711 1.00 1.56 N ATOM 1115 NH2 ARG A 72 12.849 9.933 6.657 1.00 1.42 N ATOM 0 H ARG A 72 12.946 11.848 0.930 1.00 0.77 H new ATOM 0 HA ARG A 72 11.724 12.029 3.606 1.00 0.79 H new ATOM 0 HB2 ARG A 72 13.717 14.008 2.636 1.00 0.91 H new ATOM 0 HB3 ARG A 72 13.503 13.318 4.233 1.00 0.91 H new ATOM 0 HG2 ARG A 72 14.919 12.084 1.862 1.00 1.00 H new ATOM 0 HG3 ARG A 72 15.620 12.594 3.385 1.00 1.00 H new ATOM 0 HD2 ARG A 72 13.817 10.223 2.861 1.00 1.06 H new ATOM 0 HD3 ARG A 72 15.455 10.220 3.482 1.00 1.06 H new ATOM 0 HE ARG A 72 14.193 11.625 5.432 1.00 1.30 H new ATOM 0 HH11 ARG A 72 13.328 8.638 3.751 1.00 1.56 H new ATOM 0 HH12 ARG A 72 12.448 7.982 5.135 1.00 1.56 H new ATOM 0 HH21 ARG A 72 13.066 10.769 7.199 1.00 1.42 H new ATOM 0 HH22 ARG A 72 12.301 9.182 7.076 1.00 1.42 H new ATOM 1129 N PHE A 73 10.969 13.585 0.919 1.00 0.60 N ATOM 1130 CA PHE A 73 10.218 14.629 0.273 1.00 0.57 C ATOM 1131 C PHE A 73 8.942 14.073 -0.403 1.00 0.51 C ATOM 1132 O PHE A 73 8.225 13.286 0.215 1.00 0.63 O ATOM 1133 CB PHE A 73 11.161 15.399 -0.678 1.00 0.64 C ATOM 1134 CG PHE A 73 11.550 14.713 -1.969 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.066 13.416 -2.012 1.00 1.24 C ATOM 1136 CD2 PHE A 73 11.377 15.393 -3.163 1.00 1.36 C ATOM 1137 CE1 PHE A 73 12.394 12.833 -3.223 1.00 1.31 C ATOM 1138 CE2 PHE A 73 11.708 14.815 -4.366 1.00 1.44 C ATOM 1139 CZ PHE A 73 12.217 13.538 -4.399 1.00 0.86 C ATOM 0 H PHE A 73 11.188 12.792 0.316 1.00 0.60 H new ATOM 0 HA PHE A 73 9.844 15.342 1.007 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.687 16.348 -0.929 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.074 15.634 -0.131 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.210 12.865 -1.094 1.00 1.24 H new ATOM 0 HD2 PHE A 73 10.975 16.395 -3.149 1.00 1.36 H new ATOM 0 HE1 PHE A 73 12.788 11.828 -3.250 1.00 1.31 H new ATOM 0 HE2 PHE A 73 11.568 15.364 -5.285 1.00 1.44 H new ATOM 0 HZ PHE A 73 12.479 13.086 -5.344 1.00 0.86 H new ATOM 1149 N SER A 74 8.656 14.443 -1.656 1.00 0.48 N ATOM 1150 CA SER A 74 7.431 13.994 -2.323 1.00 0.46 C ATOM 1151 C SER A 74 7.624 12.807 -3.238 1.00 0.42 C ATOM 1152 O SER A 74 6.818 12.572 -4.138 1.00 0.47 O ATOM 1153 CB SER A 74 6.801 15.140 -3.109 1.00 0.60 C ATOM 1154 OG SER A 74 7.788 15.884 -3.803 1.00 1.01 O ATOM 0 H SER A 74 9.251 15.047 -2.224 1.00 0.48 H new ATOM 0 HA SER A 74 6.768 13.667 -1.522 1.00 0.46 H new ATOM 0 HB2 SER A 74 6.075 14.743 -3.818 1.00 0.60 H new ATOM 0 HB3 SER A 74 6.257 15.796 -2.429 1.00 0.60 H new ATOM 0 HG SER A 74 7.360 16.612 -4.300 1.00 1.01 H new ATOM 1160 N GLU A 75 8.668 12.049 -3.007 1.00 0.43 N ATOM 1161 CA GLU A 75 8.895 10.855 -3.793 1.00 0.42 C ATOM 1162 C GLU A 75 7.966 9.724 -3.320 1.00 0.42 C ATOM 1163 O GLU A 75 7.954 8.640 -3.898 1.00 0.55 O ATOM 1164 CB GLU A 75 10.349 10.411 -3.636 1.00 0.44 C ATOM 1165 CG GLU A 75 11.169 10.479 -4.899 1.00 0.60 C ATOM 1166 CD GLU A 75 10.533 9.728 -6.043 1.00 0.93 C ATOM 1167 OE1 GLU A 75 9.441 9.171 -5.835 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.126 9.697 -7.142 1.00 1.42 O ATOM 0 H GLU A 75 9.369 12.232 -2.289 1.00 0.43 H new ATOM 0 HA GLU A 75 8.686 11.076 -4.840 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.824 11.032 -2.877 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.364 9.386 -3.264 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.305 11.522 -5.184 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.161 10.070 -4.707 1.00 0.60 H new ATOM 1175 N TYR A 76 7.188 9.994 -2.254 1.00 0.38 N ATOM 1176 CA TYR A 76 6.301 9.001 -1.649 1.00 0.38 C ATOM 1177 C TYR A 76 5.618 8.105 -2.652 1.00 0.39 C ATOM 1178 O TYR A 76 5.354 6.948 -2.358 1.00 0.43 O ATOM 1179 CB TYR A 76 5.278 9.661 -0.714 1.00 0.40 C ATOM 1180 CG TYR A 76 5.773 9.844 0.703 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.787 9.049 1.216 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.257 10.845 1.514 1.00 1.22 C ATOM 1183 CE1 TYR A 76 7.277 9.224 2.461 1.00 1.30 C ATOM 1184 CE2 TYR A 76 5.745 11.030 2.796 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.764 10.218 3.266 1.00 0.49 C ATOM 1186 OH TYR A 76 7.261 10.403 4.535 1.00 0.55 O ATOM 0 H TYR A 76 7.162 10.905 -1.795 1.00 0.38 H new ATOM 0 HA TYR A 76 6.947 8.352 -1.057 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.003 10.634 -1.121 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.372 9.055 -0.697 1.00 0.40 H new ATOM 0 HD1 TYR A 76 7.198 8.264 0.599 1.00 1.29 H new ATOM 0 HD2 TYR A 76 4.469 11.484 1.142 1.00 1.22 H new ATOM 0 HE1 TYR A 76 8.069 8.587 2.826 1.00 1.30 H new ATOM 0 HE2 TYR A 76 5.333 11.804 3.427 1.00 1.25 H new ATOM 0 HH TYR A 76 6.789 11.146 4.966 1.00 0.55 H new ATOM 1196 N TRP A 77 5.402 8.589 -3.850 1.00 0.39 N ATOM 1197 CA TRP A 77 4.765 7.767 -4.865 1.00 0.43 C ATOM 1198 C TRP A 77 5.611 6.523 -5.144 1.00 0.45 C ATOM 1199 O TRP A 77 5.149 5.599 -5.806 1.00 0.49 O ATOM 1200 CB TRP A 77 4.571 8.544 -6.166 1.00 0.44 C ATOM 1201 CG TRP A 77 5.866 8.872 -6.831 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.712 7.992 -7.432 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.467 10.160 -6.948 1.00 0.45 C ATOM 1204 NE1 TRP A 77 7.815 8.651 -7.907 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.684 9.991 -7.630 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.093 11.440 -6.542 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.532 11.059 -7.913 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 6.931 12.500 -6.821 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.139 12.306 -7.503 1.00 0.55 C ATOM 0 H TRP A 77 5.651 9.532 -4.149 1.00 0.39 H new ATOM 0 HA TRP A 77 3.787 7.471 -4.485 1.00 0.43 H new ATOM 0 HB2 TRP A 77 3.954 7.958 -6.847 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.029 9.466 -5.958 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.539 6.930 -7.521 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.604 8.218 -8.387 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.162 11.599 -6.018 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.465 10.910 -8.436 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.651 13.495 -6.509 1.00 0.51 H new ATOM 0 HH2 TRP A 77 8.773 13.156 -7.710 1.00 0.55 H new ATOM 1220 N ARG A 78 6.856 6.500 -4.647 1.00 0.43 N ATOM 1221 CA ARG A 78 7.721 5.358 -4.881 1.00 0.47 C ATOM 1222 C ARG A 78 7.398 4.270 -3.874 1.00 0.49 C ATOM 1223 O ARG A 78 7.679 3.094 -4.100 1.00 0.61 O ATOM 1224 CB ARG A 78 9.194 5.784 -4.890 1.00 0.50 C ATOM 1225 CG ARG A 78 9.544 6.532 -6.159 1.00 0.60 C ATOM 1226 CD ARG A 78 9.712 5.591 -7.339 1.00 0.77 C ATOM 1227 NE ARG A 78 10.227 6.281 -8.518 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.326 5.716 -9.718 1.00 1.75 C ATOM 1229 NH1 ARG A 78 9.951 4.457 -9.894 1.00 1.37 N ATOM 1230 NH2 ARG A 78 10.802 6.412 -10.743 1.00 2.82 N ATOM 0 H ARG A 78 7.271 7.248 -4.092 1.00 0.43 H new ATOM 0 HA ARG A 78 7.538 4.938 -5.870 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.397 6.416 -4.025 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.830 4.903 -4.798 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.761 7.258 -6.381 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.466 7.094 -6.008 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.391 4.784 -7.065 1.00 0.77 H new ATOM 0 HD3 ARG A 78 8.752 5.133 -7.577 1.00 0.77 H new ATOM 0 HE ARG A 78 10.528 7.250 -8.416 1.00 1.48 H new ATOM 0 HH11 ARG A 78 9.585 3.919 -9.108 1.00 1.37 H new ATOM 0 HH12 ARG A 78 10.028 4.026 -10.815 1.00 1.37 H new ATOM 0 HH21 ARG A 78 11.092 7.381 -10.611 1.00 2.82 H new ATOM 0 HH22 ARG A 78 10.878 5.978 -11.663 1.00 2.82 H new ATOM 1244 N LEU A 79 6.804 4.672 -2.748 1.00 0.43 N ATOM 1245 CA LEU A 79 6.352 3.708 -1.769 1.00 0.46 C ATOM 1246 C LEU A 79 5.092 3.033 -2.306 1.00 0.47 C ATOM 1247 O LEU A 79 4.709 1.951 -1.863 1.00 0.53 O ATOM 1248 CB LEU A 79 5.984 4.336 -0.417 1.00 0.55 C ATOM 1249 CG LEU A 79 6.612 5.679 -0.036 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.559 6.521 0.670 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.801 5.464 0.885 1.00 0.89 C ATOM 0 H LEU A 79 6.631 5.647 -2.503 1.00 0.43 H new ATOM 0 HA LEU A 79 7.177 3.014 -1.607 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.901 4.459 -0.393 1.00 0.55 H new ATOM 0 HB3 LEU A 79 6.241 3.618 0.362 1.00 0.55 H new ATOM 0 HG LEU A 79 6.961 6.188 -0.934 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.989 7.483 0.949 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.714 6.682 0.001 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.219 6.002 1.566 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.237 6.428 1.147 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.472 4.956 1.791 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.548 4.854 0.378 1.00 0.89 H new ATOM 1263 N ILE A 80 4.444 3.694 -3.267 1.00 0.46 N ATOM 1264 CA ILE A 80 3.210 3.207 -3.844 1.00 0.49 C ATOM 1265 C ILE A 80 3.265 1.714 -4.161 1.00 0.49 C ATOM 1266 O ILE A 80 2.370 0.959 -3.778 1.00 0.51 O ATOM 1267 CB ILE A 80 2.819 4.039 -5.095 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.305 4.015 -5.311 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.536 3.543 -6.337 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.862 4.761 -6.551 1.00 1.16 C ATOM 0 H ILE A 80 4.766 4.578 -3.660 1.00 0.46 H new ATOM 0 HA ILE A 80 2.431 3.335 -3.093 1.00 0.49 H new ATOM 0 HB ILE A 80 3.130 5.068 -4.915 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.972 2.979 -5.381 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.814 4.450 -4.440 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.239 4.147 -7.194 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.613 3.623 -6.192 1.00 0.57 H new ATOM 0 HG23 ILE A 80 3.271 2.501 -6.518 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.223 4.703 -6.642 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.165 5.805 -6.475 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.325 4.312 -7.430 1.00 1.16 H new ATOM 1282 N GLY A 81 4.305 1.291 -4.862 1.00 0.48 N ATOM 1283 CA GLY A 81 4.440 -0.112 -5.187 1.00 0.49 C ATOM 1284 C GLY A 81 4.978 -0.920 -4.022 1.00 0.43 C ATOM 1285 O GLY A 81 5.041 -2.144 -4.090 1.00 0.43 O ATOM 0 H GLY A 81 5.054 1.890 -5.210 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.470 -0.509 -5.485 1.00 0.49 H new ATOM 0 HA3 GLY A 81 5.106 -0.223 -6.042 1.00 0.49 H new ATOM 1289 N GLU A 82 5.361 -0.233 -2.946 1.00 0.41 N ATOM 1290 CA GLU A 82 5.905 -0.893 -1.758 1.00 0.39 C ATOM 1291 C GLU A 82 4.793 -1.418 -0.886 1.00 0.33 C ATOM 1292 O GLU A 82 4.649 -2.623 -0.700 1.00 0.34 O ATOM 1293 CB GLU A 82 6.731 0.080 -0.950 1.00 0.43 C ATOM 1294 CG GLU A 82 7.852 0.722 -1.746 1.00 0.46 C ATOM 1295 CD GLU A 82 8.807 -0.298 -2.333 1.00 0.71 C ATOM 1296 OE1 GLU A 82 8.805 -1.455 -1.862 1.00 1.39 O ATOM 1297 OE2 GLU A 82 9.557 0.058 -3.266 1.00 1.47 O ATOM 0 H GLU A 82 5.305 0.783 -2.872 1.00 0.41 H new ATOM 0 HA GLU A 82 6.529 -1.722 -2.093 1.00 0.39 H new ATOM 0 HB2 GLU A 82 6.079 0.861 -0.558 1.00 0.43 H new ATOM 0 HB3 GLU A 82 7.156 -0.440 -0.092 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.425 1.320 -2.551 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.406 1.404 -1.101 1.00 0.46 H new ATOM 1304 N LEU A 83 3.989 -0.489 -0.365 1.00 0.34 N ATOM 1305 CA LEU A 83 2.853 -0.835 0.481 1.00 0.35 C ATOM 1306 C LEU A 83 2.025 -1.931 -0.161 1.00 0.35 C ATOM 1307 O LEU A 83 1.195 -2.558 0.491 1.00 0.43 O ATOM 1308 CB LEU A 83 1.986 0.394 0.734 1.00 0.43 C ATOM 1309 CG LEU A 83 2.168 1.032 2.106 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.303 2.277 2.229 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.832 0.030 3.200 1.00 1.31 C ATOM 0 H LEU A 83 4.107 0.513 -0.517 1.00 0.34 H new ATOM 0 HA LEU A 83 3.235 -1.200 1.435 1.00 0.35 H new ATOM 0 HB2 LEU A 83 2.205 1.140 -0.030 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.939 0.114 0.615 1.00 0.43 H new ATOM 0 HG LEU A 83 3.210 1.329 2.221 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.444 2.722 3.214 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.590 2.996 1.462 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.255 2.006 2.099 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.966 0.498 4.175 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.797 -0.293 3.092 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.492 -0.833 3.118 1.00 1.31 H new ATOM 1323 N ALA A 84 2.205 -2.119 -1.460 1.00 0.34 N ATOM 1324 CA ALA A 84 1.518 -3.166 -2.153 1.00 0.37 C ATOM 1325 C ALA A 84 2.202 -4.509 -1.937 1.00 0.41 C ATOM 1326 O ALA A 84 1.528 -5.510 -1.778 1.00 0.48 O ATOM 1327 CB ALA A 84 1.429 -2.853 -3.631 1.00 0.42 C ATOM 0 H ALA A 84 2.823 -1.554 -2.043 1.00 0.34 H new ATOM 0 HA ALA A 84 0.509 -3.231 -1.747 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.904 -3.659 -4.143 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.886 -1.919 -3.773 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.433 -2.755 -4.043 1.00 0.42 H new ATOM 1333 N LYS A 85 3.542 -4.532 -1.913 1.00 0.42 N ATOM 1334 CA LYS A 85 4.279 -5.793 -1.724 1.00 0.51 C ATOM 1335 C LYS A 85 3.636 -6.662 -0.655 1.00 0.50 C ATOM 1336 O LYS A 85 3.678 -7.890 -0.732 1.00 0.67 O ATOM 1337 CB LYS A 85 5.745 -5.551 -1.366 1.00 0.62 C ATOM 1338 CG LYS A 85 6.693 -5.711 -2.548 1.00 1.18 C ATOM 1339 CD LYS A 85 6.601 -4.546 -3.526 1.00 1.42 C ATOM 1340 CE LYS A 85 7.676 -3.495 -3.258 1.00 1.55 C ATOM 1341 NZ LYS A 85 9.002 -3.906 -3.790 1.00 2.69 N ATOM 0 H LYS A 85 4.132 -3.707 -2.020 1.00 0.42 H new ATOM 0 HA LYS A 85 4.237 -6.316 -2.679 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.850 -4.545 -0.959 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.038 -6.245 -0.579 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.716 -5.795 -2.181 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.465 -6.640 -3.071 1.00 1.18 H new ATOM 0 HD2 LYS A 85 6.703 -4.918 -4.545 1.00 1.42 H new ATOM 0 HD3 LYS A 85 5.616 -4.086 -3.451 1.00 1.42 H new ATOM 0 HE2 LYS A 85 7.380 -2.550 -3.713 1.00 1.55 H new ATOM 0 HE3 LYS A 85 7.754 -3.322 -2.185 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 9.744 -3.653 -3.106 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 9.010 -4.934 -3.946 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.181 -3.418 -4.691 1.00 2.69 H new ATOM 1355 N GLU A 86 3.045 -6.023 0.340 1.00 0.45 N ATOM 1356 CA GLU A 86 2.379 -6.752 1.406 1.00 0.45 C ATOM 1357 C GLU A 86 1.076 -7.337 0.896 1.00 0.44 C ATOM 1358 O GLU A 86 0.784 -8.500 1.132 1.00 0.46 O ATOM 1359 CB GLU A 86 2.107 -5.860 2.625 1.00 0.48 C ATOM 1360 CG GLU A 86 1.506 -4.519 2.273 1.00 0.98 C ATOM 1361 CD GLU A 86 1.181 -3.682 3.493 1.00 2.08 C ATOM 1362 OE1 GLU A 86 0.067 -3.833 4.037 1.00 2.91 O ATOM 1363 OE2 GLU A 86 2.039 -2.872 3.904 1.00 2.61 O ATOM 0 H GLU A 86 3.012 -5.008 0.432 1.00 0.45 H new ATOM 0 HA GLU A 86 3.045 -7.555 1.723 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.434 -6.383 3.304 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.041 -5.700 3.163 1.00 0.48 H new ATOM 0 HG2 GLU A 86 2.201 -3.971 1.637 1.00 0.98 H new ATOM 0 HG3 GLU A 86 0.597 -4.675 1.692 1.00 0.98 H new ATOM 1370 N VAL A 87 0.309 -6.513 0.190 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.974 -6.926 -0.366 1.00 0.46 C ATOM 1372 C VAL A 87 -0.805 -7.698 -1.674 1.00 0.47 C ATOM 1373 O VAL A 87 -1.725 -8.384 -2.119 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.887 -5.691 -0.592 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.095 -6.030 -1.449 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -2.321 -5.108 0.744 1.00 0.81 C ATOM 0 H VAL A 87 0.558 -5.545 -0.012 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.443 -7.594 0.356 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.308 -4.943 -1.133 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.708 -5.139 -1.583 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.761 -6.390 -2.422 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.684 -6.805 -0.958 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.961 -4.242 0.573 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.872 -5.861 1.308 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -1.441 -4.802 1.311 1.00 0.81 H new ATOM 1386 N ARG A 88 0.362 -7.589 -2.283 1.00 0.50 N ATOM 1387 CA ARG A 88 0.614 -8.264 -3.546 1.00 0.52 C ATOM 1388 C ARG A 88 0.773 -9.762 -3.347 1.00 0.50 C ATOM 1389 O ARG A 88 -0.042 -10.548 -3.828 1.00 0.59 O ATOM 1390 CB ARG A 88 1.855 -7.686 -4.225 1.00 0.56 C ATOM 1391 CG ARG A 88 1.923 -7.991 -5.711 1.00 0.67 C ATOM 1392 CD ARG A 88 3.162 -7.384 -6.352 1.00 1.33 C ATOM 1393 NE ARG A 88 4.394 -7.916 -5.776 1.00 1.83 N ATOM 1394 CZ ARG A 88 5.588 -7.360 -5.949 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.710 -6.256 -6.672 1.00 3.25 N ATOM 1396 NH2 ARG A 88 6.663 -7.908 -5.397 1.00 3.50 N ATOM 0 H ARG A 88 1.147 -7.043 -1.927 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.249 -8.098 -4.191 1.00 0.52 H new ATOM 0 HB2 ARG A 88 1.869 -6.606 -4.082 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.746 -8.084 -3.738 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.927 -9.071 -5.861 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.031 -7.604 -6.204 1.00 0.67 H new ATOM 0 HD2 ARG A 88 3.149 -7.581 -7.424 1.00 1.33 H new ATOM 0 HD3 ARG A 88 3.141 -6.301 -6.227 1.00 1.33 H new ATOM 0 HE ARG A 88 4.334 -8.762 -5.209 1.00 1.83 H new ATOM 0 HH11 ARG A 88 4.886 -5.831 -7.097 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.628 -5.831 -6.803 1.00 3.25 H new ATOM 0 HH21 ARG A 88 6.573 -8.757 -4.839 1.00 3.50 H new ATOM 0 HH22 ARG A 88 7.579 -7.480 -5.531 1.00 3.50 H new ATOM 1410 N LYS A 89 1.819 -10.156 -2.636 1.00 0.47 N ATOM 1411 CA LYS A 89 2.056 -11.567 -2.382 1.00 0.49 C ATOM 1412 C LYS A 89 0.897 -12.126 -1.570 1.00 0.49 C ATOM 1413 O LYS A 89 0.522 -13.290 -1.713 1.00 0.55 O ATOM 1414 CB LYS A 89 3.417 -11.770 -1.672 1.00 0.56 C ATOM 1415 CG LYS A 89 3.363 -11.817 -0.145 1.00 0.70 C ATOM 1416 CD LYS A 89 2.994 -13.213 0.345 1.00 1.55 C ATOM 1417 CE LYS A 89 2.504 -13.193 1.780 1.00 2.44 C ATOM 1418 NZ LYS A 89 2.021 -14.529 2.224 1.00 3.29 N ATOM 0 H LYS A 89 2.510 -9.526 -2.229 1.00 0.47 H new ATOM 0 HA LYS A 89 2.109 -12.112 -3.325 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.859 -12.699 -2.031 1.00 0.56 H new ATOM 0 HB3 LYS A 89 4.086 -10.963 -1.970 1.00 0.56 H new ATOM 0 HG2 LYS A 89 4.330 -11.527 0.266 1.00 0.70 H new ATOM 0 HG3 LYS A 89 2.632 -11.095 0.219 1.00 0.70 H new ATOM 0 HD2 LYS A 89 2.220 -13.631 -0.298 1.00 1.55 H new ATOM 0 HD3 LYS A 89 3.862 -13.868 0.266 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.311 -12.864 2.434 1.00 2.44 H new ATOM 0 HE3 LYS A 89 1.698 -12.466 1.878 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 2.267 -14.672 3.224 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 0.989 -14.580 2.110 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 2.470 -15.269 1.648 1.00 3.29 H new ATOM 1432 N GLU A 90 0.329 -11.276 -0.724 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.793 -11.663 0.113 1.00 0.52 C ATOM 1434 C GLU A 90 -2.064 -11.856 -0.714 1.00 0.55 C ATOM 1435 O GLU A 90 -3.058 -12.384 -0.216 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.019 -10.622 1.214 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.026 -10.739 2.353 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.337 -9.791 3.494 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -1.124 -10.174 4.384 1.00 1.95 O ATOM 1440 OE2 GLU A 90 0.208 -8.667 3.496 1.00 1.97 O ATOM 0 H GLU A 90 0.631 -10.310 -0.601 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.552 -12.619 0.578 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.952 -9.624 0.782 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.030 -10.731 1.608 1.00 0.55 H new ATOM 0 HG2 GLU A 90 -0.025 -11.763 2.726 1.00 0.62 H new ATOM 0 HG3 GLU A 90 0.977 -10.535 1.979 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.031 -11.440 -1.982 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.189 -11.586 -2.852 1.00 0.61 C ATOM 1449 C LYS A 91 -3.664 -13.034 -2.869 1.00 0.63 C ATOM 1450 O LYS A 91 -4.846 -13.322 -2.682 1.00 0.70 O ATOM 1451 CB LYS A 91 -2.867 -11.112 -4.273 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.062 -12.098 -5.106 1.00 0.61 C ATOM 1453 CD LYS A 91 -1.818 -11.563 -6.508 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.018 -12.543 -7.350 1.00 0.70 C ATOM 1455 NZ LYS A 91 -0.850 -12.065 -8.749 1.00 1.38 N ATOM 0 H LYS A 91 -1.221 -11.004 -2.422 1.00 0.54 H new ATOM 0 HA LYS A 91 -3.991 -10.962 -2.458 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -3.802 -10.899 -4.791 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.315 -10.174 -4.212 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.108 -12.296 -4.618 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.593 -13.048 -5.164 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -2.773 -11.362 -6.993 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.285 -10.614 -6.448 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.038 -12.694 -6.898 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -1.519 -13.511 -7.355 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -0.299 -12.762 -9.290 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -1.784 -11.945 -9.189 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.349 -11.154 -8.747 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.720 -13.935 -3.093 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.004 -15.366 -3.147 1.00 0.66 C ATOM 1471 C ALA A 92 -3.087 -15.993 -1.761 1.00 0.64 C ATOM 1472 O ALA A 92 -3.691 -17.050 -1.593 1.00 0.70 O ATOM 1473 CB ALA A 92 -1.948 -16.068 -3.985 1.00 0.75 C ATOM 0 H ALA A 92 -1.739 -13.699 -3.242 1.00 0.61 H new ATOM 0 HA ALA A 92 -3.983 -15.491 -3.610 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.164 -17.136 -4.023 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -1.956 -15.660 -4.996 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -0.966 -15.912 -3.538 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.471 -15.361 -0.772 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.512 -15.891 0.587 1.00 0.66 C ATOM 1481 C LEU A 93 -3.823 -15.535 1.265 1.00 0.59 C ATOM 1482 O LEU A 93 -4.287 -16.251 2.151 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.348 -15.372 1.425 1.00 0.75 C ATOM 1484 CG LEU A 93 -1.155 -16.130 2.736 1.00 0.82 C ATOM 1485 CD1 LEU A 93 -0.007 -17.119 2.621 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -0.924 -15.162 3.888 1.00 0.95 C ATOM 0 H LEU A 93 -1.944 -14.494 -0.880 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.428 -16.975 0.512 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.431 -15.437 0.839 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.511 -14.317 1.645 1.00 0.75 H new ATOM 0 HG LEU A 93 -2.066 -16.692 2.943 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.113 -17.648 3.566 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.222 -17.836 1.829 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.913 -16.583 2.386 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.789 -15.723 4.813 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.032 -14.568 3.690 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -1.786 -14.502 3.987 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.425 -14.429 0.844 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.685 -14.014 1.430 1.00 0.52 C ATOM 1500 C GLY A 94 -6.683 -15.130 1.477 1.00 0.52 C ATOM 1501 O GLY A 94 -7.377 -15.307 2.477 1.00 0.57 O ATOM 0 H GLY A 94 -4.066 -13.816 0.112 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.509 -13.643 2.440 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.096 -13.185 0.854 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.785 -15.861 0.381 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.697 -16.978 0.309 1.00 0.57 C ATOM 1507 C ILE A 95 -7.217 -18.076 1.237 1.00 0.61 C ATOM 1508 O ILE A 95 -6.852 -19.161 0.796 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.793 -17.522 -1.123 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -8.824 -18.650 -1.212 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -6.432 -17.990 -1.574 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -8.933 -19.266 -2.590 1.00 1.68 C ATOM 0 H ILE A 95 -6.245 -15.697 -0.469 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.687 -16.637 0.612 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.128 -16.724 -1.786 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -8.561 -19.428 -0.495 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -9.800 -18.263 -0.918 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -6.499 -18.377 -2.591 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -5.733 -17.154 -1.549 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -6.079 -18.778 -0.909 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -9.682 -20.057 -2.576 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -9.226 -18.501 -3.308 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -7.969 -19.684 -2.879 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.202 -17.782 2.531 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.751 -18.755 3.510 1.00 0.74 C ATOM 1526 C ARG A 96 -7.604 -20.004 3.384 1.00 0.82 C ATOM 1527 O ARG A 96 -7.161 -21.118 3.665 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.834 -18.184 4.924 1.00 0.84 C ATOM 1529 CG ARG A 96 -6.168 -16.827 5.076 1.00 1.65 C ATOM 1530 CD ARG A 96 -4.660 -16.934 4.930 1.00 2.45 C ATOM 1531 NE ARG A 96 -4.010 -15.628 4.967 1.00 2.91 N ATOM 1532 CZ ARG A 96 -3.696 -14.992 6.091 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -3.988 -15.532 7.267 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -3.092 -13.812 6.040 1.00 4.48 N ATOM 0 H ARG A 96 -7.494 -16.886 2.921 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.707 -19.004 3.320 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.882 -18.098 5.210 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.370 -18.886 5.617 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -6.561 -16.141 4.326 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -6.412 -16.407 6.052 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.262 -17.559 5.730 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -4.422 -17.430 3.989 1.00 2.45 H new ATOM 0 HE ARG A 96 -3.784 -15.178 4.080 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -4.455 -16.438 7.310 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -3.746 -15.041 8.128 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -2.868 -13.392 5.138 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -2.851 -13.325 6.903 1.00 4.48 H new ATOM 1548 N LYS A 97 -8.841 -19.790 2.954 1.00 0.83 N ATOM 1549 CA LYS A 97 -9.779 -20.868 2.736 1.00 0.95 C ATOM 1550 C LYS A 97 -9.550 -21.478 1.360 1.00 0.94 C ATOM 1551 O LYS A 97 -10.228 -21.128 0.393 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.205 -20.332 2.849 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.527 -19.204 1.870 1.00 0.99 C ATOM 1554 CD LYS A 97 -12.646 -18.333 2.401 1.00 1.56 C ATOM 1555 CE LYS A 97 -12.104 -17.009 2.898 1.00 1.85 C ATOM 1556 NZ LYS A 97 -13.160 -16.169 3.517 1.00 2.92 N ATOM 0 H LYS A 97 -9.215 -18.864 2.749 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.630 -21.641 3.490 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -11.904 -21.152 2.684 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.368 -19.974 3.866 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.637 -18.598 1.702 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -11.814 -19.624 0.906 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -13.382 -18.159 1.616 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -13.161 -18.848 3.212 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -11.314 -17.192 3.626 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.652 -16.468 2.067 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -12.720 -15.363 4.006 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -13.802 -15.817 2.778 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -13.699 -16.737 4.202 1.00 2.92 H new ATOM 1570 N LYS A 98 -8.585 -22.385 1.279 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.254 -23.038 0.020 1.00 1.06 C ATOM 1572 C LYS A 98 -8.716 -24.491 0.020 1.00 1.22 C ATOM 1573 O LYS A 98 -9.858 -24.748 -0.418 1.00 1.61 O ATOM 1574 CB LYS A 98 -6.743 -22.967 -0.228 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.161 -21.566 -0.088 1.00 1.07 C ATOM 1576 CD LYS A 98 -4.720 -21.508 -0.565 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.080 -20.169 -0.231 1.00 2.00 C ATOM 1578 NZ LYS A 98 -2.721 -20.040 -0.824 1.00 2.74 N ATOM 1579 OXT LYS A 98 -7.933 -25.361 0.454 1.00 1.70 O ATOM 0 H LYS A 98 -8.017 -22.685 2.072 1.00 0.97 H new ATOM 0 HA LYS A 98 -8.774 -22.515 -0.782 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.238 -23.632 0.473 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -6.531 -23.340 -1.230 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -6.763 -20.862 -0.662 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.212 -21.253 0.955 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.149 -22.312 -0.101 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -4.684 -21.672 -1.642 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -4.714 -19.362 -0.598 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.016 -20.057 0.851 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.620 -19.101 -1.260 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.005 -20.154 -0.079 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -2.587 -20.775 -1.548 1.00 2.74 H new ATOM 1594 N MET B 1 17.450 -4.189 -3.355 1.00 0.65 N ATOM 1595 CA MET B 1 16.805 -5.519 -3.475 1.00 0.59 C ATOM 1596 C MET B 1 15.366 -5.388 -3.945 1.00 0.59 C ATOM 1597 O MET B 1 14.841 -4.284 -4.066 1.00 0.60 O ATOM 1598 CB MET B 1 16.824 -6.256 -2.135 1.00 0.58 C ATOM 1599 CG MET B 1 18.029 -7.157 -1.901 1.00 0.60 C ATOM 1600 SD MET B 1 19.570 -6.577 -2.654 1.00 0.94 S ATOM 1601 CE MET B 1 20.642 -7.982 -2.366 1.00 1.18 C ATOM 0 H1 MET B 1 18.479 -4.309 -3.267 1.00 0.65 H new ATOM 0 H2 MET B 1 17.239 -3.623 -4.202 1.00 0.65 H new ATOM 0 H3 MET B 1 17.085 -3.701 -2.512 1.00 0.65 H new ATOM 0 HA MET B 1 17.373 -6.088 -4.211 1.00 0.59 H new ATOM 0 HB2 MET B 1 16.782 -5.518 -1.334 1.00 0.58 H new ATOM 0 HB3 MET B 1 15.920 -6.860 -2.059 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.183 -7.262 -0.827 1.00 0.60 H new ATOM 0 HG3 MET B 1 17.803 -8.150 -2.289 1.00 0.60 H new ATOM 0 HE1 MET B 1 21.427 -8.002 -3.122 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.093 -7.899 -1.377 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.060 -8.902 -2.423 1.00 1.18 H new ATOM 1613 N ALA B 2 14.745 -6.521 -4.245 1.00 0.61 N ATOM 1614 CA ALA B 2 13.361 -6.538 -4.692 1.00 0.64 C ATOM 1615 C ALA B 2 12.452 -7.228 -3.684 1.00 0.62 C ATOM 1616 O ALA B 2 12.490 -8.450 -3.532 1.00 0.71 O ATOM 1617 CB ALA B 2 13.245 -7.199 -6.057 1.00 0.72 C ATOM 0 H ALA B 2 15.180 -7.442 -4.186 1.00 0.61 H new ATOM 0 HA ALA B 2 13.032 -5.502 -4.777 1.00 0.64 H new ATOM 0 HB1 ALA B 2 12.202 -7.201 -6.373 1.00 0.72 H new ATOM 0 HB2 ALA B 2 13.842 -6.645 -6.781 1.00 0.72 H new ATOM 0 HB3 ALA B 2 13.608 -8.225 -5.996 1.00 0.72 H new ATOM 1623 N ALA B 3 11.602 -6.452 -3.033 1.00 0.73 N ATOM 1624 CA ALA B 3 10.679 -6.999 -2.054 1.00 0.75 C ATOM 1625 C ALA B 3 9.668 -7.894 -2.759 1.00 0.65 C ATOM 1626 O ALA B 3 8.623 -7.434 -3.217 1.00 0.81 O ATOM 1627 CB ALA B 3 9.976 -5.870 -1.326 1.00 1.04 C ATOM 0 H ALA B 3 11.532 -5.443 -3.165 1.00 0.73 H new ATOM 0 HA ALA B 3 11.227 -7.593 -1.323 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.285 -6.285 -0.593 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.714 -5.249 -0.818 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.423 -5.263 -2.043 1.00 1.04 H new ATOM 1633 N GLU B 4 9.999 -9.176 -2.863 1.00 0.62 N ATOM 1634 CA GLU B 4 9.129 -10.134 -3.530 1.00 0.75 C ATOM 1635 C GLU B 4 7.860 -10.349 -2.718 1.00 0.74 C ATOM 1636 O GLU B 4 6.810 -9.797 -3.045 1.00 0.86 O ATOM 1637 CB GLU B 4 9.873 -11.447 -3.748 1.00 0.97 C ATOM 1638 CG GLU B 4 11.116 -11.285 -4.594 1.00 1.45 C ATOM 1639 CD GLU B 4 10.857 -10.506 -5.868 1.00 2.42 C ATOM 1640 OE1 GLU B 4 10.827 -9.259 -5.803 1.00 3.02 O ATOM 1641 OE2 GLU B 4 10.683 -11.142 -6.928 1.00 3.20 O ATOM 0 H GLU B 4 10.862 -9.574 -2.494 1.00 0.62 H new ATOM 0 HA GLU B 4 8.840 -9.739 -4.504 1.00 0.75 H new ATOM 0 HB2 GLU B 4 10.150 -11.867 -2.781 1.00 0.97 H new ATOM 0 HB3 GLU B 4 9.204 -12.163 -4.227 1.00 0.97 H new ATOM 0 HG2 GLU B 4 11.884 -10.776 -4.011 1.00 1.45 H new ATOM 0 HG3 GLU B 4 11.509 -12.269 -4.848 1.00 1.45 H new ATOM 1648 N THR B 5 7.947 -11.150 -1.662 1.00 0.70 N ATOM 1649 CA THR B 5 6.795 -11.378 -0.808 1.00 0.75 C ATOM 1650 C THR B 5 6.474 -10.087 -0.037 1.00 0.62 C ATOM 1651 O THR B 5 6.696 -8.990 -0.550 1.00 0.79 O ATOM 1652 CB THR B 5 7.055 -12.552 0.152 1.00 0.92 C ATOM 1653 OG1 THR B 5 5.825 -13.036 0.699 1.00 1.42 O ATOM 1654 CG2 THR B 5 7.955 -12.111 1.269 1.00 1.08 C ATOM 0 H THR B 5 8.793 -11.645 -1.382 1.00 0.70 H new ATOM 0 HA THR B 5 5.934 -11.645 -1.421 1.00 0.75 H new ATOM 0 HB THR B 5 7.534 -13.354 -0.409 1.00 0.92 H new ATOM 0 HG1 THR B 5 6.008 -13.783 1.306 1.00 1.42 H new ATOM 0 HG21 THR B 5 8.134 -12.948 1.944 1.00 1.08 H new ATOM 0 HG22 THR B 5 8.904 -11.767 0.857 1.00 1.08 H new ATOM 0 HG23 THR B 5 7.482 -11.297 1.818 1.00 1.08 H new ATOM 1662 N LEU B 6 5.957 -10.208 1.183 1.00 0.54 N ATOM 1663 CA LEU B 6 5.648 -9.025 1.981 1.00 0.50 C ATOM 1664 C LEU B 6 6.904 -8.444 2.625 1.00 0.49 C ATOM 1665 O LEU B 6 7.584 -9.122 3.391 1.00 0.56 O ATOM 1666 CB LEU B 6 4.635 -9.315 3.093 1.00 0.60 C ATOM 1667 CG LEU B 6 4.005 -10.685 3.093 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.892 -11.676 3.841 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.626 -10.624 3.725 1.00 1.07 C ATOM 0 H LEU B 6 5.746 -11.098 1.635 1.00 0.54 H new ATOM 0 HA LEU B 6 5.215 -8.307 1.284 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.131 -9.168 4.052 1.00 0.60 H new ATOM 0 HB3 LEU B 6 3.838 -8.574 3.030 1.00 0.60 H new ATOM 0 HG LEU B 6 3.902 -11.025 2.063 1.00 0.75 H new ATOM 0 HD11 LEU B 6 4.425 -12.661 3.833 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.866 -11.732 3.354 1.00 1.15 H new ATOM 0 HD13 LEU B 6 5.020 -11.344 4.871 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.179 -11.618 3.720 1.00 1.07 H new ATOM 0 HD22 LEU B 6 2.712 -10.270 4.752 1.00 1.07 H new ATOM 0 HD23 LEU B 6 1.995 -9.940 3.157 1.00 1.07 H new ATOM 1681 N THR B 7 7.204 -7.191 2.318 1.00 0.50 N ATOM 1682 CA THR B 7 8.354 -6.527 2.921 1.00 0.53 C ATOM 1683 C THR B 7 7.941 -5.967 4.274 1.00 0.48 C ATOM 1684 O THR B 7 6.774 -6.055 4.630 1.00 0.55 O ATOM 1685 CB THR B 7 8.912 -5.396 2.033 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.093 -5.236 0.869 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.353 -5.690 1.615 1.00 0.80 C ATOM 0 H THR B 7 6.675 -6.617 1.662 1.00 0.50 H new ATOM 0 HA THR B 7 9.150 -7.263 3.035 1.00 0.53 H new ATOM 0 HB THR B 7 8.902 -4.473 2.612 1.00 0.60 H new ATOM 0 HG1 THR B 7 8.497 -4.571 0.274 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.723 -4.878 0.990 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.979 -5.778 2.503 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.386 -6.624 1.054 1.00 0.80 H new ATOM 1695 N GLU B 8 8.876 -5.373 5.018 1.00 0.46 N ATOM 1696 CA GLU B 8 8.570 -4.835 6.354 1.00 0.45 C ATOM 1697 C GLU B 8 7.198 -4.165 6.401 1.00 0.41 C ATOM 1698 O GLU B 8 6.530 -4.158 7.435 1.00 0.42 O ATOM 1699 CB GLU B 8 9.637 -3.829 6.794 1.00 0.50 C ATOM 1700 CG GLU B 8 11.061 -4.239 6.454 1.00 0.52 C ATOM 1701 CD GLU B 8 11.393 -5.644 6.917 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.074 -6.602 6.180 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.974 -5.787 8.013 1.00 1.67 O ATOM 0 H GLU B 8 9.845 -5.251 4.725 1.00 0.46 H new ATOM 0 HA GLU B 8 8.562 -5.683 7.038 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.427 -2.867 6.327 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.561 -3.684 7.872 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.206 -4.173 5.376 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.756 -3.536 6.913 1.00 0.52 H new ATOM 1710 N LEU B 9 6.792 -3.606 5.272 1.00 0.41 N ATOM 1711 CA LEU B 9 5.501 -2.937 5.162 1.00 0.40 C ATOM 1712 C LEU B 9 4.333 -3.848 5.543 1.00 0.38 C ATOM 1713 O LEU B 9 3.274 -3.359 5.930 1.00 0.40 O ATOM 1714 CB LEU B 9 5.304 -2.427 3.739 1.00 0.46 C ATOM 1715 CG LEU B 9 5.852 -3.341 2.648 1.00 0.58 C ATOM 1716 CD1 LEU B 9 4.746 -3.756 1.695 1.00 0.93 C ATOM 1717 CD2 LEU B 9 6.977 -2.650 1.904 1.00 0.93 C ATOM 0 H LEU B 9 7.341 -3.602 4.412 1.00 0.41 H new ATOM 0 HA LEU B 9 5.510 -2.105 5.866 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.238 -2.278 3.566 1.00 0.46 H new ATOM 0 HB3 LEU B 9 5.781 -1.451 3.649 1.00 0.46 H new ATOM 0 HG LEU B 9 6.251 -4.243 3.113 1.00 0.58 H new ATOM 0 HD11 LEU B 9 5.156 -4.408 0.923 1.00 0.93 H new ATOM 0 HD12 LEU B 9 3.972 -4.289 2.246 1.00 0.93 H new ATOM 0 HD13 LEU B 9 4.315 -2.870 1.230 1.00 0.93 H new ATOM 0 HD21 LEU B 9 7.360 -3.312 1.128 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.602 -1.734 1.447 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.779 -2.406 2.601 1.00 0.93 H new ATOM 1729 N GLU B 10 4.508 -5.167 5.439 1.00 0.38 N ATOM 1730 CA GLU B 10 3.427 -6.090 5.797 1.00 0.39 C ATOM 1731 C GLU B 10 2.897 -5.760 7.181 1.00 0.38 C ATOM 1732 O GLU B 10 1.694 -5.805 7.420 1.00 0.40 O ATOM 1733 CB GLU B 10 3.877 -7.547 5.764 1.00 0.45 C ATOM 1734 CG GLU B 10 5.348 -7.736 6.086 1.00 0.45 C ATOM 1735 CD GLU B 10 5.594 -8.875 7.056 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.271 -10.030 6.710 1.00 1.16 O ATOM 1737 OE2 GLU B 10 6.105 -8.610 8.165 1.00 1.26 O ATOM 0 H GLU B 10 5.367 -5.613 5.118 1.00 0.38 H new ATOM 0 HA GLU B 10 2.640 -5.965 5.053 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.281 -8.119 6.476 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.674 -7.959 4.775 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.896 -7.926 5.163 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.745 -6.813 6.508 1.00 0.45 H new ATOM 1744 N ALA B 11 3.805 -5.428 8.099 1.00 0.39 N ATOM 1745 CA ALA B 11 3.405 -5.059 9.450 1.00 0.39 C ATOM 1746 C ALA B 11 2.364 -3.957 9.375 1.00 0.36 C ATOM 1747 O ALA B 11 1.516 -3.817 10.256 1.00 0.39 O ATOM 1748 CB ALA B 11 4.611 -4.613 10.264 1.00 0.42 C ATOM 0 H ALA B 11 4.811 -5.408 7.931 1.00 0.39 H new ATOM 0 HA ALA B 11 2.973 -5.926 9.950 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.291 -4.342 11.270 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.333 -5.427 10.320 1.00 0.42 H new ATOM 0 HB3 ALA B 11 5.074 -3.750 9.785 1.00 0.42 H new ATOM 1754 N ALA B 12 2.444 -3.176 8.303 1.00 0.33 N ATOM 1755 CA ALA B 12 1.488 -2.107 8.068 1.00 0.32 C ATOM 1756 C ALA B 12 0.162 -2.696 7.614 1.00 0.33 C ATOM 1757 O ALA B 12 -0.905 -2.152 7.901 1.00 0.34 O ATOM 1758 CB ALA B 12 2.018 -1.126 7.034 1.00 0.34 C ATOM 0 H ALA B 12 3.162 -3.266 7.584 1.00 0.33 H new ATOM 0 HA ALA B 12 1.335 -1.562 9.000 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.286 -0.335 6.874 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.951 -0.690 7.391 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.198 -1.649 6.095 1.00 0.34 H new ATOM 1764 N ILE B 13 0.237 -3.818 6.899 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.958 -4.492 6.421 1.00 0.40 C ATOM 1766 C ILE B 13 -1.915 -4.741 7.591 1.00 0.39 C ATOM 1767 O ILE B 13 -3.128 -4.843 7.410 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.619 -5.824 5.682 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.647 -6.089 4.579 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.548 -7.019 6.635 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.042 -6.358 5.100 1.00 2.05 C ATOM 0 H ILE B 13 1.112 -4.274 6.641 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.446 -3.843 5.693 1.00 0.40 H new ATOM 0 HB ILE B 13 0.371 -5.706 5.240 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.678 -5.229 3.909 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.319 -6.943 3.986 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.309 -7.921 6.071 1.00 0.99 H new ATOM 0 HG22 ILE B 13 0.226 -6.843 7.382 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.510 -7.146 7.132 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.715 -6.537 4.262 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.026 -7.236 5.746 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.391 -5.496 5.668 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.341 -4.834 8.793 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.113 -5.065 10.007 1.00 0.42 C ATOM 1785 C GLU B 14 -3.071 -3.911 10.277 1.00 0.38 C ATOM 1786 O GLU B 14 -4.161 -4.113 10.812 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.177 -5.257 11.202 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.227 -6.432 11.050 1.00 0.79 C ATOM 1789 CD GLU B 14 0.676 -6.614 12.255 1.00 1.46 C ATOM 1790 OE1 GLU B 14 1.752 -5.982 12.292 1.00 2.02 O ATOM 1791 OE2 GLU B 14 0.304 -7.387 13.163 1.00 2.25 O ATOM 0 H GLU B 14 -0.336 -4.752 8.947 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.701 -5.971 9.864 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.595 -4.347 11.346 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.775 -5.399 12.102 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.805 -7.343 10.893 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.386 -6.286 10.161 1.00 0.79 H new ATOM 1798 N THR B 15 -2.664 -2.696 9.919 1.00 0.30 N ATOM 1799 CA THR B 15 -3.500 -1.538 10.115 1.00 0.28 C ATOM 1800 C THR B 15 -4.537 -1.431 9.009 1.00 0.28 C ATOM 1801 O THR B 15 -5.741 -1.542 9.238 1.00 0.34 O ATOM 1802 CB THR B 15 -2.670 -0.250 10.120 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.590 -0.362 11.055 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.535 0.949 10.473 1.00 0.32 C ATOM 0 H THR B 15 -1.759 -2.498 9.492 1.00 0.30 H new ATOM 0 HA THR B 15 -3.993 -1.659 11.080 1.00 0.28 H new ATOM 0 HB THR B 15 -2.265 -0.102 9.119 1.00 0.28 H new ATOM 0 HG1 THR B 15 -1.065 0.466 11.049 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.924 1.852 10.470 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.334 1.050 9.739 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.968 0.807 11.463 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.034 -1.222 7.804 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.861 -1.077 6.618 1.00 0.28 C ATOM 1814 C VAL B 16 -5.899 -2.191 6.499 1.00 0.30 C ATOM 1815 O VAL B 16 -6.946 -2.009 5.878 1.00 0.36 O ATOM 1816 CB VAL B 16 -3.970 -1.072 5.367 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.312 -2.428 5.183 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.767 -0.691 4.135 1.00 0.33 C ATOM 0 H VAL B 16 -3.033 -1.148 7.620 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.398 -0.132 6.705 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.190 -0.324 5.505 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.684 -2.410 4.293 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.699 -2.656 6.055 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.080 -3.193 5.069 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.113 -0.695 3.263 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.573 -1.409 3.987 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.188 0.305 4.268 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.607 -3.346 7.094 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.520 -4.480 7.035 1.00 0.33 C ATOM 1830 C VAL B 17 -7.646 -4.342 8.057 1.00 0.30 C ATOM 1831 O VAL B 17 -8.804 -4.641 7.771 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.792 -5.816 7.266 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.257 -5.897 8.684 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.720 -6.985 6.971 1.00 0.50 C ATOM 0 H VAL B 17 -4.750 -3.519 7.619 1.00 0.31 H new ATOM 0 HA VAL B 17 -6.943 -4.481 6.030 1.00 0.33 H new ATOM 0 HB VAL B 17 -4.945 -5.870 6.582 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.746 -6.849 8.826 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.556 -5.080 8.856 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.084 -5.820 9.390 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.189 -7.922 7.139 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.588 -6.936 7.629 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.049 -6.936 5.933 1.00 0.50 H new ATOM 1844 N SER B 18 -7.296 -3.895 9.256 1.00 0.33 N ATOM 1845 CA SER B 18 -8.278 -3.731 10.321 1.00 0.40 C ATOM 1846 C SER B 18 -9.057 -2.423 10.179 1.00 0.44 C ATOM 1847 O SER B 18 -10.097 -2.242 10.807 1.00 0.59 O ATOM 1848 CB SER B 18 -7.593 -3.783 11.688 1.00 0.51 C ATOM 1849 OG SER B 18 -6.979 -5.042 11.902 1.00 1.32 O ATOM 0 H SER B 18 -6.343 -3.640 9.515 1.00 0.33 H new ATOM 0 HA SER B 18 -8.988 -4.554 10.240 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.844 -2.994 11.754 1.00 0.51 H new ATOM 0 HB3 SER B 18 -8.325 -3.594 12.473 1.00 0.51 H new ATOM 0 HG SER B 18 -6.046 -5.005 11.605 1.00 1.32 H new ATOM 1855 N THR B 19 -8.538 -1.496 9.390 1.00 0.37 N ATOM 1856 CA THR B 19 -9.217 -0.221 9.190 1.00 0.45 C ATOM 1857 C THR B 19 -10.286 -0.281 8.101 1.00 0.46 C ATOM 1858 O THR B 19 -11.466 -0.497 8.379 1.00 0.53 O ATOM 1859 CB THR B 19 -8.226 0.911 8.867 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.528 0.625 7.649 1.00 0.42 O ATOM 1861 CG2 THR B 19 -7.227 1.096 10.000 1.00 0.49 C ATOM 0 H THR B 19 -7.659 -1.598 8.882 1.00 0.37 H new ATOM 0 HA THR B 19 -9.711 -0.006 10.138 1.00 0.45 H new ATOM 0 HB THR B 19 -8.793 1.834 8.749 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.901 1.352 7.453 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.537 1.901 9.749 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.760 1.347 10.917 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.668 0.172 10.147 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.856 -0.083 6.859 1.00 0.45 N ATOM 1870 CA PHE B 20 -10.744 -0.060 5.713 1.00 0.53 C ATOM 1871 C PHE B 20 -11.104 -1.453 5.235 1.00 0.53 C ATOM 1872 O PHE B 20 -12.172 -1.672 4.671 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.059 0.759 4.614 1.00 0.60 C ATOM 1874 CG PHE B 20 -10.658 0.638 3.248 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.009 0.419 3.074 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -9.853 0.754 2.134 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -12.547 0.314 1.808 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -10.380 0.652 0.867 1.00 1.37 C ATOM 1879 CZ PHE B 20 -11.728 0.432 0.703 1.00 1.18 C ATOM 0 H PHE B 20 -8.875 0.066 6.623 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.691 0.401 5.992 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.074 1.809 4.906 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.013 0.458 4.560 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -12.652 0.329 3.937 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -8.794 0.927 2.258 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -13.605 0.140 1.682 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -9.737 0.744 0.004 1.00 1.37 H new ATOM 0 HZ PHE B 20 -12.145 0.352 -0.290 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.232 -2.402 5.457 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.513 -3.739 5.014 1.00 0.47 C ATOM 1891 C PHE B 21 -11.431 -4.495 5.958 1.00 0.49 C ATOM 1892 O PHE B 21 -11.572 -5.710 5.860 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.227 -4.475 4.711 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.318 -3.692 3.814 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -8.770 -2.560 3.131 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.005 -4.071 3.670 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -7.914 -1.847 2.327 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.152 -3.358 2.873 1.00 1.44 C ATOM 1899 CZ PHE B 21 -6.605 -2.243 2.196 1.00 0.53 C ATOM 0 H PHE B 21 -9.338 -2.277 5.933 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.076 -3.671 4.083 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.710 -4.696 5.645 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.461 -5.431 4.242 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -9.797 -2.244 3.236 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -6.642 -4.943 4.193 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.270 -0.975 1.798 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.122 -3.668 2.773 1.00 1.44 H new ATOM 0 HZ PHE B 21 -5.931 -1.683 1.564 1.00 0.53 H new ATOM 1909 N THR B 22 -11.932 -3.801 6.960 1.00 0.48 N ATOM 1910 CA THR B 22 -12.951 -4.366 7.823 1.00 0.54 C ATOM 1911 C THR B 22 -14.342 -4.089 7.225 1.00 0.48 C ATOM 1912 O THR B 22 -15.365 -4.419 7.825 1.00 0.53 O ATOM 1913 CB THR B 22 -12.871 -3.807 9.245 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.949 -2.385 9.206 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.579 -4.249 9.901 1.00 0.81 C ATOM 0 H THR B 22 -11.652 -2.849 7.197 1.00 0.48 H new ATOM 0 HA THR B 22 -12.780 -5.441 7.885 1.00 0.54 H new ATOM 0 HB THR B 22 -13.706 -4.189 9.832 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.095 -2.019 8.895 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.529 -3.847 10.913 1.00 0.81 H new ATOM 0 HG22 THR B 22 -11.545 -5.338 9.941 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.732 -3.880 9.322 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.361 -3.477 6.025 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.596 -3.096 5.339 1.00 0.51 C ATOM 1925 C PHE B 23 -16.454 -4.286 4.932 1.00 0.44 C ATOM 1926 O PHE B 23 -17.615 -4.122 4.564 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.255 -2.275 4.092 1.00 0.68 C ATOM 1928 CG PHE B 23 -14.936 -0.844 4.368 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -14.341 -0.476 5.555 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.252 0.135 3.443 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -14.062 0.839 5.824 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -14.981 1.458 3.703 1.00 1.93 C ATOM 1933 CZ PHE B 23 -14.385 1.816 4.900 1.00 1.83 C ATOM 0 H PHE B 23 -13.515 -3.236 5.509 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.179 -2.510 6.049 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -14.404 -2.735 3.590 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -16.096 -2.321 3.400 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -14.091 -1.233 6.283 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -15.716 -0.142 2.508 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -13.590 1.112 6.757 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -15.232 2.215 2.975 1.00 1.93 H new ATOM 0 HZ PHE B 23 -14.173 2.854 5.111 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.895 -5.480 4.999 1.00 0.51 N ATOM 1944 CA ALA B 24 -16.619 -6.683 4.609 1.00 0.59 C ATOM 1945 C ALA B 24 -17.849 -6.892 5.485 1.00 0.61 C ATOM 1946 O ALA B 24 -18.700 -7.726 5.176 1.00 0.67 O ATOM 1947 CB ALA B 24 -15.701 -7.893 4.686 1.00 0.71 C ATOM 0 H ALA B 24 -14.941 -5.646 5.320 1.00 0.51 H new ATOM 0 HA ALA B 24 -16.957 -6.559 3.580 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -16.252 -8.787 4.393 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -14.855 -7.751 4.014 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -15.338 -8.010 5.707 1.00 0.71 H new ATOM 1953 N GLY B 25 -17.949 -6.129 6.580 1.00 0.71 N ATOM 1954 CA GLY B 25 -19.095 -6.261 7.466 1.00 0.85 C ATOM 1955 C GLY B 25 -20.409 -6.350 6.708 1.00 0.74 C ATOM 1956 O GLY B 25 -21.373 -6.943 7.189 1.00 0.82 O ATOM 0 H GLY B 25 -17.262 -5.430 6.864 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -18.973 -7.152 8.082 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -19.127 -5.407 8.143 1.00 0.85 H new ATOM 1960 N ARG B 26 -20.441 -5.755 5.518 1.00 0.61 N ATOM 1961 CA ARG B 26 -21.634 -5.780 4.682 1.00 0.59 C ATOM 1962 C ARG B 26 -22.009 -7.209 4.341 1.00 0.58 C ATOM 1963 O ARG B 26 -23.092 -7.683 4.685 1.00 0.72 O ATOM 1964 CB ARG B 26 -21.397 -4.998 3.390 1.00 0.61 C ATOM 1965 CG ARG B 26 -20.981 -3.566 3.625 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.185 -2.671 3.806 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.853 -2.899 5.084 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.053 -2.415 5.381 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.714 -1.687 4.492 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -24.594 -2.659 6.567 1.00 2.82 N ATOM 0 H ARG B 26 -19.653 -5.250 5.113 1.00 0.61 H new ATOM 0 HA ARG B 26 -22.448 -5.316 5.238 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -20.627 -5.501 2.805 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -22.309 -5.011 2.794 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -20.346 -3.509 4.509 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -20.386 -3.214 2.782 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.874 -1.628 3.741 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -22.890 -2.844 2.993 1.00 0.96 H new ATOM 0 HE ARG B 26 -22.372 -3.460 5.787 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -24.301 -1.498 3.579 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -25.636 -1.316 4.721 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -24.088 -3.219 7.253 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -25.516 -2.286 6.793 1.00 2.82 H new ATOM 1984 N GLU B 27 -21.102 -7.892 3.658 1.00 0.50 N ATOM 1985 CA GLU B 27 -21.339 -9.277 3.261 1.00 0.57 C ATOM 1986 C GLU B 27 -20.380 -10.241 3.959 1.00 0.80 C ATOM 1987 O GLU B 27 -19.178 -10.239 3.696 1.00 1.26 O ATOM 1988 CB GLU B 27 -21.223 -9.424 1.741 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.919 -8.895 1.166 1.00 0.85 C ATOM 1990 CD GLU B 27 -19.766 -9.211 -0.308 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -19.667 -10.408 -0.652 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -19.742 -8.262 -1.119 1.00 1.63 O ATOM 0 H GLU B 27 -20.200 -7.515 3.367 1.00 0.50 H new ATOM 0 HA GLU B 27 -22.352 -9.537 3.570 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -21.322 -10.478 1.480 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -22.055 -8.899 1.271 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -19.873 -7.815 1.310 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.082 -9.325 1.716 1.00 0.85 H new ATOM 1999 N GLY B 28 -20.927 -11.064 4.852 1.00 1.32 N ATOM 2000 CA GLY B 28 -20.118 -12.036 5.567 1.00 1.87 C ATOM 2001 C GLY B 28 -20.172 -13.402 4.921 1.00 1.35 C ATOM 2002 O GLY B 28 -21.159 -14.125 5.061 1.00 1.58 O ATOM 0 H GLY B 28 -21.918 -11.074 5.093 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -19.084 -11.692 5.602 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -20.465 -12.108 6.598 1.00 1.87 H new ATOM 2006 N ARG B 29 -19.111 -13.755 4.210 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.046 -15.036 3.524 1.00 1.06 C ATOM 2008 C ARG B 29 -17.608 -15.531 3.422 1.00 1.14 C ATOM 2009 O ARG B 29 -16.701 -14.966 4.034 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.621 -14.888 2.117 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.843 -13.889 1.276 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.815 -14.280 -0.190 1.00 2.36 C ATOM 2013 NE ARG B 29 -20.131 -14.163 -0.814 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.420 -14.640 -2.021 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -19.487 -15.253 -2.735 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -21.644 -14.503 -2.514 1.00 4.30 N ATOM 0 H ARG B 29 -18.283 -13.171 4.093 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.625 -15.760 4.097 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.616 -15.859 1.621 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -20.661 -14.570 2.184 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -19.292 -12.901 1.379 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.822 -13.816 1.651 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.105 -13.646 -0.721 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.459 -15.306 -0.285 1.00 2.36 H new ATOM 0 HE ARG B 29 -20.870 -13.689 -0.294 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -18.545 -15.360 -2.359 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -19.711 -15.618 -3.661 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -22.364 -14.031 -1.967 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -21.865 -14.869 -3.440 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.407 -16.591 2.641 1.00 1.05 N ATOM 2031 CA LYS B 30 -16.075 -17.139 2.433 1.00 1.49 C ATOM 2032 C LYS B 30 -15.519 -16.649 1.102 1.00 1.34 C ATOM 2033 O LYS B 30 -14.934 -17.413 0.334 1.00 1.66 O ATOM 2034 CB LYS B 30 -16.095 -18.667 2.448 1.00 2.04 C ATOM 2035 CG LYS B 30 -17.016 -19.277 1.405 1.00 2.66 C ATOM 2036 CD LYS B 30 -17.003 -20.795 1.469 1.00 3.51 C ATOM 2037 CE LYS B 30 -17.562 -21.302 2.789 1.00 4.01 C ATOM 2038 NZ LYS B 30 -18.981 -20.898 2.982 1.00 4.78 N ATOM 0 H LYS B 30 -18.149 -17.084 2.145 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.438 -16.798 3.249 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -15.082 -19.036 2.286 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -16.404 -19.008 3.436 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -18.032 -18.914 1.559 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -16.708 -18.951 0.411 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -17.590 -21.200 0.645 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -15.983 -21.157 1.342 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -17.486 -22.389 2.822 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -16.959 -20.915 3.611 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -19.396 -21.449 3.761 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -19.025 -19.885 3.213 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -19.515 -21.078 2.108 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.720 -15.366 0.835 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.253 -14.772 -0.393 1.00 0.88 C ATOM 2054 C GLY B 31 -14.724 -13.388 -0.161 1.00 0.81 C ATOM 2055 O GLY B 31 -13.686 -13.230 0.472 1.00 0.85 O ATOM 0 H GLY B 31 -16.205 -14.722 1.459 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.471 -15.395 -0.826 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -16.068 -14.736 -1.115 1.00 0.88 H new ATOM 2059 N SER B 32 -15.421 -12.380 -0.676 1.00 0.74 N ATOM 2060 CA SER B 32 -14.967 -11.008 -0.503 1.00 0.71 C ATOM 2061 C SER B 32 -16.066 -9.983 -0.345 1.00 0.70 C ATOM 2062 O SER B 32 -17.260 -10.276 -0.408 1.00 0.75 O ATOM 2063 CB SER B 32 -14.074 -10.603 -1.652 1.00 0.69 C ATOM 2064 OG SER B 32 -14.718 -10.798 -2.899 1.00 1.09 O ATOM 0 H SER B 32 -16.286 -12.485 -1.206 1.00 0.74 H new ATOM 0 HA SER B 32 -14.421 -11.013 0.441 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.793 -9.555 -1.545 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.153 -11.184 -1.621 1.00 0.69 H new ATOM 0 HG SER B 32 -14.610 -9.996 -3.452 1.00 1.09 H new ATOM 2070 N LEU B 33 -15.600 -8.760 -0.137 1.00 0.72 N ATOM 2071 CA LEU B 33 -16.432 -7.594 0.023 1.00 0.74 C ATOM 2072 C LEU B 33 -16.507 -6.799 -1.276 1.00 0.57 C ATOM 2073 O LEU B 33 -15.659 -6.951 -2.151 1.00 0.53 O ATOM 2074 CB LEU B 33 -15.886 -6.707 1.122 1.00 1.00 C ATOM 2075 CG LEU B 33 -16.575 -5.355 1.230 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -18.007 -5.512 1.715 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -15.799 -4.435 2.127 1.00 1.69 C ATOM 0 H LEU B 33 -14.603 -8.554 -0.074 1.00 0.72 H new ATOM 0 HA LEU B 33 -17.434 -7.930 0.290 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -15.980 -7.228 2.075 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -14.822 -6.547 0.950 1.00 1.00 H new ATOM 0 HG LEU B 33 -16.608 -4.909 0.236 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -18.477 -4.531 1.784 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -18.563 -6.133 1.013 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -18.009 -5.985 2.697 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -16.309 -3.474 2.191 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -15.726 -4.874 3.122 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.798 -4.289 1.720 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.546 -5.977 -1.399 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.774 -5.167 -2.541 1.00 0.47 C ATOM 2091 C ASN B 34 -17.340 -3.749 -2.195 1.00 0.41 C ATOM 2092 O ASN B 34 -16.451 -3.545 -1.370 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.274 -5.265 -2.820 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.634 -6.509 -3.607 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -18.967 -7.539 -3.505 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -20.697 -6.420 -4.397 1.00 2.12 N ATOM 0 H ASN B 34 -18.257 -5.870 -0.676 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.217 -5.475 -3.426 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.817 -5.266 -1.875 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.597 -4.383 -3.372 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -20.990 -7.225 -4.950 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.221 -5.546 -4.451 1.00 2.12 H new ATOM 2103 N ILE B 35 -17.936 -2.780 -2.828 1.00 0.53 N ATOM 2104 CA ILE B 35 -17.617 -1.389 -2.527 1.00 0.54 C ATOM 2105 C ILE B 35 -18.714 -0.726 -1.712 1.00 0.56 C ATOM 2106 O ILE B 35 -18.690 0.486 -1.517 1.00 0.63 O ATOM 2107 CB ILE B 35 -17.384 -0.514 -3.771 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -18.324 -0.950 -4.879 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -15.929 -0.530 -4.206 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -19.771 -0.897 -4.450 1.00 1.04 C ATOM 0 H ILE B 35 -18.642 -2.912 -3.552 1.00 0.53 H new ATOM 0 HA ILE B 35 -16.686 -1.450 -1.963 1.00 0.54 H new ATOM 0 HB ILE B 35 -17.608 0.523 -3.522 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -18.180 -0.309 -5.749 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.075 -1.965 -5.187 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -15.806 0.100 -5.087 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -15.304 -0.150 -3.398 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -15.632 -1.551 -4.445 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -20.407 -1.218 -5.275 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -19.922 -1.559 -3.597 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -20.030 0.124 -4.168 1.00 1.04 H new ATOM 2122 N ASN B 36 -19.667 -1.512 -1.222 1.00 0.59 N ATOM 2123 CA ASN B 36 -20.770 -0.967 -0.431 1.00 0.63 C ATOM 2124 C ASN B 36 -20.218 -0.035 0.617 1.00 0.59 C ATOM 2125 O ASN B 36 -20.467 1.171 0.584 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.575 -2.085 0.231 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.797 -1.560 0.960 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.793 -0.443 1.477 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.853 -2.365 1.002 1.00 1.90 N ATOM 0 H ASN B 36 -19.700 -2.523 -1.356 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.440 -0.419 -1.094 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.888 -2.803 -0.527 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -20.938 -2.621 0.934 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.705 -2.065 1.477 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -23.812 -3.283 0.560 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.474 -0.588 1.553 1.00 0.58 N ATOM 2137 CA GLU B 37 -18.852 0.251 2.550 1.00 0.56 C ATOM 2138 C GLU B 37 -17.901 1.211 1.881 1.00 0.50 C ATOM 2139 O GLU B 37 -17.771 2.339 2.305 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.086 -0.559 3.555 1.00 0.68 C ATOM 2141 CG GLU B 37 -18.916 -1.612 4.245 1.00 0.76 C ATOM 2142 CD GLU B 37 -18.489 -1.857 5.678 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -17.775 -0.999 6.239 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.872 -2.904 6.242 1.00 1.41 O ATOM 0 H GLU B 37 -19.290 -1.587 1.643 1.00 0.58 H new ATOM 0 HA GLU B 37 -19.644 0.791 3.068 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.246 -1.041 3.055 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -17.668 0.111 4.306 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -19.963 -1.309 4.230 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -18.847 -2.545 3.686 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.216 0.756 0.835 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.287 1.614 0.112 1.00 0.43 C ATOM 2153 C PHE B 38 -16.918 2.983 -0.137 1.00 0.45 C ATOM 2154 O PHE B 38 -16.245 4.006 -0.131 1.00 0.46 O ATOM 2155 CB PHE B 38 -15.915 0.950 -1.210 1.00 0.43 C ATOM 2156 CG PHE B 38 -14.590 1.353 -1.783 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -14.269 2.682 -2.000 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -13.666 0.382 -2.119 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -13.045 3.032 -2.540 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -12.443 0.723 -2.661 1.00 1.32 C ATOM 2161 CZ PHE B 38 -12.131 2.050 -2.871 1.00 0.46 C ATOM 0 H PHE B 38 -17.287 -0.195 0.473 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.386 1.757 0.708 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -15.916 -0.131 -1.067 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -16.691 1.175 -1.941 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -14.981 3.453 -1.745 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -13.904 -0.659 -1.955 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -12.804 4.072 -2.703 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -11.732 -0.048 -2.920 1.00 1.32 H new ATOM 0 HZ PHE B 38 -11.175 2.321 -3.293 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.232 2.989 -0.316 1.00 0.49 N ATOM 2172 CA LYS B 39 -18.955 4.231 -0.558 1.00 0.53 C ATOM 2173 C LYS B 39 -18.853 5.176 0.626 1.00 0.54 C ATOM 2174 O LYS B 39 -19.128 6.365 0.508 1.00 0.58 O ATOM 2175 CB LYS B 39 -20.401 3.936 -0.885 1.00 0.62 C ATOM 2176 CG LYS B 39 -20.517 2.855 -1.922 1.00 0.68 C ATOM 2177 CD LYS B 39 -21.915 2.796 -2.508 1.00 0.70 C ATOM 2178 CE LYS B 39 -22.122 1.538 -3.335 1.00 1.49 C ATOM 2179 NZ LYS B 39 -23.439 1.545 -4.030 1.00 1.82 N ATOM 0 H LYS B 39 -18.817 2.153 -0.299 1.00 0.49 H new ATOM 0 HA LYS B 39 -18.495 4.728 -1.412 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -20.926 3.632 0.021 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -20.887 4.843 -1.246 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -19.795 3.034 -2.718 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -20.267 1.892 -1.476 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -22.649 2.828 -1.703 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.086 3.674 -3.131 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -21.323 1.451 -4.071 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -22.057 0.663 -2.689 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -23.544 0.671 -4.584 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.203 1.603 -3.326 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -23.492 2.366 -4.666 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.503 4.623 1.769 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.305 5.400 2.973 1.00 0.57 C ATOM 2195 C GLU B 40 -16.909 6.031 2.944 1.00 0.55 C ATOM 2196 O GLU B 40 -16.541 6.779 3.850 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.487 4.509 4.228 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.220 3.804 4.733 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.440 3.074 6.039 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.822 1.885 5.994 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -17.224 3.683 7.107 1.00 2.62 O ATOM 0 H GLU B 40 -18.348 3.622 1.888 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.050 6.194 3.020 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.883 5.126 5.035 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.239 3.751 4.007 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.878 3.096 3.979 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.426 4.540 4.862 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.135 5.735 1.886 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.796 6.248 1.768 1.00 0.50 C ATOM 2210 C LEU B 41 -14.802 7.663 1.239 1.00 0.55 C ATOM 2211 O LEU B 41 -14.932 8.598 2.009 1.00 0.63 O ATOM 2212 CB LEU B 41 -13.955 5.335 0.878 1.00 0.46 C ATOM 2213 CG LEU B 41 -13.848 3.896 1.367 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.829 3.130 0.542 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.472 3.870 2.840 1.00 0.66 C ATOM 0 H LEU B 41 -16.431 5.142 1.111 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.348 6.269 2.761 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.382 5.333 -0.125 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -12.952 5.753 0.796 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.818 3.413 1.248 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.765 2.104 0.904 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.136 3.127 -0.504 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -11.854 3.608 0.633 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.398 2.837 3.179 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.512 4.367 2.979 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.236 4.388 3.420 1.00 0.66 H new ATOM 2227 N ALA B 42 -14.714 7.813 -0.083 1.00 0.55 N ATOM 2228 CA ALA B 42 -14.675 9.133 -0.716 1.00 0.62 C ATOM 2229 C ALA B 42 -15.627 10.094 -0.037 1.00 0.68 C ATOM 2230 O ALA B 42 -15.397 11.289 0.016 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.014 9.011 -2.171 1.00 0.65 C ATOM 0 H ALA B 42 -14.668 7.033 -0.739 1.00 0.55 H new ATOM 0 HA ALA B 42 -13.666 9.531 -0.613 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -14.983 9.997 -2.636 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -14.292 8.357 -2.659 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.014 8.591 -2.278 1.00 0.65 H new ATOM 2237 N THR B 43 -16.703 9.540 0.473 1.00 0.65 N ATOM 2238 CA THR B 43 -17.696 10.317 1.187 1.00 0.73 C ATOM 2239 C THR B 43 -17.073 10.988 2.412 1.00 0.78 C ATOM 2240 O THR B 43 -17.196 12.195 2.604 1.00 0.85 O ATOM 2241 CB THR B 43 -18.869 9.428 1.628 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.388 8.114 1.956 1.00 0.66 O ATOM 2243 CG2 THR B 43 -19.919 9.337 0.531 1.00 0.76 C ATOM 0 H THR B 43 -16.916 8.545 0.407 1.00 0.65 H new ATOM 0 HA THR B 43 -18.070 11.085 0.510 1.00 0.73 H new ATOM 0 HB THR B 43 -19.330 9.875 2.509 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.477 7.529 1.175 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.740 8.703 0.865 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.299 10.334 0.307 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.472 8.909 -0.366 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.454 10.181 3.267 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.769 10.690 4.455 1.00 0.84 C ATOM 2253 C GLN B 44 -14.377 11.154 4.087 1.00 0.83 C ATOM 2254 O GLN B 44 -13.854 12.112 4.657 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.712 9.611 5.534 1.00 0.87 C ATOM 2256 CG GLN B 44 -17.080 9.212 6.065 1.00 1.54 C ATOM 2257 CD GLN B 44 -17.838 10.380 6.667 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -18.580 11.077 5.975 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -17.652 10.601 7.964 1.00 2.74 N ATOM 0 H GLN B 44 -16.411 9.167 3.161 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.325 11.540 4.851 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -15.217 8.729 5.129 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.100 9.968 6.362 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.668 8.781 5.255 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -16.960 8.435 6.820 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -17.028 9.998 8.500 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -18.134 11.374 8.424 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.779 10.464 3.129 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.474 10.813 2.658 1.00 0.82 C ATOM 2270 C GLN B 45 -12.569 12.148 1.945 1.00 0.78 C ATOM 2271 O GLN B 45 -11.588 12.884 1.841 1.00 0.79 O ATOM 2272 CB GLN B 45 -11.961 9.732 1.712 1.00 0.93 C ATOM 2273 CG GLN B 45 -11.798 8.342 2.328 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.942 8.303 3.841 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.961 8.408 4.576 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -13.174 8.161 4.305 1.00 1.45 N ATOM 0 H GLN B 45 -14.192 9.654 2.667 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.775 10.892 3.491 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -12.646 9.658 0.867 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -10.997 10.049 1.314 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.538 7.674 1.888 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -10.817 7.952 2.059 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -13.957 8.078 3.656 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -13.340 8.135 5.311 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.784 12.458 1.443 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.040 13.726 0.775 1.00 0.78 C ATOM 2287 C LEU B 46 -13.415 14.821 1.608 1.00 0.74 C ATOM 2288 O LEU B 46 -12.349 15.305 1.253 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.545 13.992 0.585 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.091 13.881 -0.842 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.587 14.156 -0.852 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.371 14.855 -1.761 1.00 1.30 C ATOM 0 H LEU B 46 -14.594 11.840 1.494 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.603 13.696 -0.223 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.096 13.293 1.215 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.762 14.994 0.955 1.00 0.83 H new ATOM 0 HG LEU B 46 -15.917 12.868 -1.205 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.965 14.075 -1.871 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.095 13.430 -0.217 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.775 15.161 -0.475 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.770 14.764 -2.771 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.521 15.873 -1.402 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.305 14.627 -1.770 1.00 1.30 H new ATOM 2304 N PRO B 47 -14.001 15.197 2.771 1.00 0.78 N ATOM 2305 CA PRO B 47 -13.378 16.225 3.566 1.00 0.80 C ATOM 2306 C PRO B 47 -12.273 15.677 4.426 1.00 0.77 C ATOM 2307 O PRO B 47 -12.478 15.207 5.545 1.00 0.82 O ATOM 2308 CB PRO B 47 -14.528 16.690 4.450 1.00 0.91 C ATOM 2309 CG PRO B 47 -15.346 15.459 4.657 1.00 0.95 C ATOM 2310 CD PRO B 47 -15.234 14.673 3.380 1.00 0.90 C ATOM 0 HA PRO B 47 -12.921 17.006 2.959 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -14.166 17.093 5.396 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -15.108 17.478 3.969 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.977 14.882 5.505 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -16.385 15.711 4.871 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -15.165 13.602 3.571 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -16.099 14.827 2.735 1.00 0.90 H new ATOM 2318 N HIS B 48 -11.105 15.744 3.854 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.877 15.387 4.495 1.00 0.75 C ATOM 2320 C HIS B 48 -9.175 16.638 4.952 1.00 0.83 C ATOM 2321 O HIS B 48 -9.789 17.693 5.105 1.00 0.91 O ATOM 2322 CB HIS B 48 -9.045 14.617 3.505 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.707 13.240 3.989 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -7.596 12.962 4.758 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -9.365 12.068 3.847 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -7.589 11.678 5.069 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -8.652 11.114 4.528 1.00 1.59 N ATOM 0 H HIS B 48 -10.980 16.061 2.893 1.00 0.73 H new ATOM 0 HA HIS B 48 -10.053 14.765 5.373 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.584 14.545 2.560 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.124 15.165 3.305 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -10.282 11.911 3.299 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -6.841 11.176 5.664 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -8.903 10.128 4.604 1.00 1.59 H new ATOM 2336 N LEU B 49 -7.880 16.516 5.169 1.00 0.89 N ATOM 2337 CA LEU B 49 -7.074 17.673 5.460 1.00 1.00 C ATOM 2338 C LEU B 49 -6.745 18.282 4.099 1.00 0.98 C ATOM 2339 O LEU B 49 -7.437 19.182 3.622 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.810 17.294 6.235 1.00 1.10 C ATOM 2341 CG LEU B 49 -6.040 16.922 7.701 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -4.720 16.598 8.382 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -6.755 18.049 8.431 1.00 2.44 C ATOM 0 H LEU B 49 -7.371 15.632 5.148 1.00 0.89 H new ATOM 0 HA LEU B 49 -7.598 18.383 6.099 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -5.332 16.453 5.733 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -5.111 18.130 6.193 1.00 1.10 H new ATOM 0 HG LEU B 49 -6.672 16.034 7.736 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -4.903 16.336 9.424 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.245 15.758 7.874 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -4.064 17.467 8.337 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -6.910 17.767 9.472 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -6.149 18.954 8.387 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -7.719 18.235 7.958 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.679 17.779 3.479 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.294 18.190 2.135 1.00 1.01 C ATOM 2357 C LEU B 50 -6.042 17.326 1.115 1.00 0.92 C ATOM 2358 O LEU B 50 -5.424 16.705 0.250 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.783 18.049 1.939 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.251 18.568 0.601 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.623 20.030 0.408 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.743 18.388 0.522 1.00 2.24 C ATOM 0 H LEU B 50 -5.063 17.080 3.893 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.556 19.238 1.992 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -3.277 18.581 2.745 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.516 16.996 2.035 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.711 17.988 -0.199 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -3.236 20.381 -0.549 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.708 20.134 0.421 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -3.192 20.624 1.214 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.382 18.762 -0.436 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.268 18.942 1.331 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.498 17.330 0.614 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.371 17.286 1.222 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.206 16.466 0.351 1.00 0.80 C ATOM 2376 C LYS B 51 -7.723 16.451 -1.094 1.00 0.89 C ATOM 2377 O LYS B 51 -6.953 17.305 -1.530 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.656 16.960 0.415 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.573 16.393 -0.680 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.978 17.027 -0.714 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.281 17.933 0.480 1.00 2.68 C ATOM 2382 NZ LYS B 51 -13.681 18.441 0.455 1.00 3.58 N ATOM 0 H LYS B 51 -7.895 17.821 1.914 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.140 15.440 0.714 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -10.072 16.701 1.389 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.659 18.048 0.346 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.097 16.539 -1.649 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.675 15.318 -0.533 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -12.082 17.606 -1.632 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.723 16.232 -0.752 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.112 17.382 1.405 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.590 18.776 0.480 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -13.844 19.051 1.282 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -13.836 18.989 -0.415 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.342 17.639 0.481 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.214 15.455 -1.821 1.00 0.92 N ATOM 2397 CA ASP B 52 -7.878 15.266 -3.222 1.00 1.17 C ATOM 2398 C ASP B 52 -9.042 15.709 -4.096 1.00 1.24 C ATOM 2399 O ASP B 52 -8.833 16.240 -5.183 1.00 1.47 O ATOM 2400 CB ASP B 52 -7.543 13.799 -3.484 1.00 1.29 C ATOM 2401 CG ASP B 52 -6.140 13.440 -3.033 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -5.795 13.744 -1.872 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -5.384 12.864 -3.843 1.00 2.35 O ATOM 0 H ASP B 52 -8.858 14.755 -1.452 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.005 15.872 -3.467 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -8.262 13.166 -2.965 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -7.645 13.590 -4.549 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.263 15.468 -3.578 1.00 1.14 N ATOM 2409 CA VAL B 53 -11.542 15.825 -4.205 1.00 1.27 C ATOM 2410 C VAL B 53 -12.343 14.584 -4.588 1.00 1.24 C ATOM 2411 O VAL B 53 -12.305 14.130 -5.731 1.00 1.46 O ATOM 2412 CB VAL B 53 -11.385 16.735 -5.436 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -12.716 16.954 -6.151 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -10.773 18.074 -5.046 1.00 1.92 C ATOM 0 H VAL B 53 -10.385 15.002 -2.679 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.086 16.390 -3.448 1.00 1.27 H new ATOM 0 HB VAL B 53 -10.712 16.228 -6.127 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -12.563 17.602 -7.014 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -13.113 15.995 -6.483 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -13.424 17.422 -5.467 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -10.672 18.700 -5.933 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -11.418 18.572 -4.322 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -9.790 17.910 -4.604 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.040 14.031 -3.605 1.00 1.06 N ATOM 2425 CA GLY B 54 -13.889 12.873 -3.843 1.00 1.09 C ATOM 2426 C GLY B 54 -15.052 13.188 -4.767 1.00 1.13 C ATOM 2427 O GLY B 54 -16.214 13.120 -4.365 1.00 1.23 O ATOM 0 H GLY B 54 -13.034 14.363 -2.641 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.292 12.071 -4.276 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.274 12.506 -2.891 1.00 1.09 H new ATOM 2431 N SER B 55 -14.734 13.541 -6.009 1.00 1.16 N ATOM 2432 CA SER B 55 -15.750 13.870 -7.000 1.00 1.24 C ATOM 2433 C SER B 55 -16.726 12.712 -7.180 1.00 1.10 C ATOM 2434 O SER B 55 -16.317 11.560 -7.331 1.00 1.09 O ATOM 2435 CB SER B 55 -15.082 14.210 -8.330 1.00 1.40 C ATOM 2436 OG SER B 55 -16.020 14.210 -9.393 1.00 1.62 O ATOM 0 H SER B 55 -13.776 13.606 -6.353 1.00 1.16 H new ATOM 0 HA SER B 55 -16.312 14.736 -6.649 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.607 15.189 -8.261 1.00 1.40 H new ATOM 0 HB3 SER B 55 -14.293 13.487 -8.538 1.00 1.40 H new ATOM 0 HG SER B 55 -15.600 13.846 -10.200 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.018 13.028 -7.179 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.067 12.017 -7.323 1.00 1.10 C ATOM 2444 C LEU B 56 -18.712 10.969 -8.371 1.00 0.98 C ATOM 2445 O LEU B 56 -18.676 9.776 -8.069 1.00 0.97 O ATOM 2446 CB LEU B 56 -20.404 12.674 -7.671 1.00 1.28 C ATOM 2447 CG LEU B 56 -21.157 13.285 -6.486 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -21.605 12.196 -5.522 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -20.288 14.306 -5.769 1.00 2.83 C ATOM 0 H LEU B 56 -18.367 13.981 -7.080 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.156 11.509 -6.363 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -20.225 13.455 -8.410 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.045 11.929 -8.143 1.00 1.28 H new ATOM 0 HG LEU B 56 -22.042 13.795 -6.867 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -22.139 12.647 -4.686 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.265 11.500 -6.040 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -20.733 11.659 -5.149 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -20.841 14.729 -4.930 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -19.385 13.820 -5.400 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -20.015 15.102 -6.462 1.00 2.83 H new ATOM 2461 N ASP B 57 -18.447 11.405 -9.598 1.00 1.00 N ATOM 2462 CA ASP B 57 -18.095 10.470 -10.663 1.00 1.01 C ATOM 2463 C ASP B 57 -17.032 9.507 -10.200 1.00 0.95 C ATOM 2464 O ASP B 57 -17.197 8.290 -10.248 1.00 0.97 O ATOM 2465 CB ASP B 57 -17.577 11.192 -11.890 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.672 11.524 -12.883 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -19.029 10.641 -13.691 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -19.175 12.667 -12.851 1.00 2.19 O ATOM 0 H ASP B 57 -18.468 12.385 -9.878 1.00 1.00 H new ATOM 0 HA ASP B 57 -19.006 9.930 -10.919 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -17.081 12.113 -11.582 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -16.825 10.573 -12.379 1.00 1.15 H new ATOM 2473 N GLU B 58 -15.950 10.085 -9.736 1.00 0.94 N ATOM 2474 CA GLU B 58 -14.816 9.327 -9.237 1.00 0.95 C ATOM 2475 C GLU B 58 -15.300 8.303 -8.234 1.00 0.87 C ATOM 2476 O GLU B 58 -14.872 7.150 -8.242 1.00 0.90 O ATOM 2477 CB GLU B 58 -13.792 10.256 -8.589 1.00 0.98 C ATOM 2478 CG GLU B 58 -12.822 10.863 -9.587 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.506 11.766 -10.595 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -14.156 11.236 -11.521 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -13.393 13.002 -10.457 1.00 2.29 O ATOM 0 H GLU B 58 -15.826 11.096 -9.692 1.00 0.94 H new ATOM 0 HA GLU B 58 -14.333 8.818 -10.072 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -14.316 11.057 -8.068 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -13.231 9.700 -7.838 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -12.065 11.434 -9.050 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -12.303 10.063 -10.115 1.00 1.44 H new ATOM 2488 N LYS B 59 -16.214 8.736 -7.377 1.00 0.81 N ATOM 2489 CA LYS B 59 -16.779 7.853 -6.383 1.00 0.76 C ATOM 2490 C LYS B 59 -17.694 6.823 -7.036 1.00 0.80 C ATOM 2491 O LYS B 59 -17.938 5.757 -6.480 1.00 0.79 O ATOM 2492 CB LYS B 59 -17.520 8.654 -5.301 1.00 0.75 C ATOM 2493 CG LYS B 59 -16.649 9.747 -4.693 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.341 10.540 -3.583 1.00 1.14 C ATOM 2495 CE LYS B 59 -18.629 11.190 -4.053 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.443 11.692 -2.910 1.00 2.67 N ATOM 0 H LYS B 59 -16.575 9.690 -7.355 1.00 0.81 H new ATOM 0 HA LYS B 59 -15.965 7.315 -5.897 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -18.414 9.103 -5.733 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -17.852 7.977 -4.514 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -15.741 9.295 -4.293 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.342 10.435 -5.481 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.557 9.876 -2.746 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -16.663 11.309 -3.213 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -18.396 12.017 -4.724 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -19.212 10.469 -4.626 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.432 11.394 -3.031 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.070 11.302 -2.021 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -19.395 12.730 -2.879 1.00 2.67 H new ATOM 2510 N MET B 60 -18.209 7.162 -8.212 1.00 0.86 N ATOM 2511 CA MET B 60 -19.091 6.269 -8.959 1.00 0.92 C ATOM 2512 C MET B 60 -18.316 5.241 -9.794 1.00 0.96 C ATOM 2513 O MET B 60 -18.804 4.139 -10.041 1.00 1.01 O ATOM 2514 CB MET B 60 -19.997 7.090 -9.875 1.00 1.00 C ATOM 2515 CG MET B 60 -20.992 7.961 -9.125 1.00 1.01 C ATOM 2516 SD MET B 60 -22.250 6.994 -8.268 1.00 1.74 S ATOM 2517 CE MET B 60 -23.254 8.298 -7.559 1.00 2.31 C ATOM 0 H MET B 60 -18.030 8.054 -8.672 1.00 0.86 H new ATOM 0 HA MET B 60 -19.685 5.717 -8.231 1.00 0.92 H new ATOM 0 HB2 MET B 60 -19.379 7.724 -10.511 1.00 1.00 H new ATOM 0 HB3 MET B 60 -20.543 6.414 -10.533 1.00 1.00 H new ATOM 0 HG2 MET B 60 -20.457 8.577 -8.402 1.00 1.01 H new ATOM 0 HG3 MET B 60 -21.476 8.640 -9.827 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.077 7.858 -6.996 1.00 2.31 H new ATOM 0 HE2 MET B 60 -22.643 8.906 -6.892 1.00 2.31 H new ATOM 0 HE3 MET B 60 -23.654 8.924 -8.357 1.00 2.31 H new ATOM 2527 N LYS B 61 -17.111 5.609 -10.221 1.00 0.97 N ATOM 2528 CA LYS B 61 -16.290 4.735 -11.076 1.00 1.02 C ATOM 2529 C LYS B 61 -15.551 3.684 -10.270 1.00 0.96 C ATOM 2530 O LYS B 61 -15.918 2.509 -10.277 1.00 0.92 O ATOM 2531 CB LYS B 61 -15.275 5.537 -11.907 1.00 1.09 C ATOM 2532 CG LYS B 61 -15.489 7.041 -11.890 1.00 1.55 C ATOM 2533 CD LYS B 61 -14.523 7.753 -12.823 1.00 2.08 C ATOM 2534 CE LYS B 61 -13.076 7.498 -12.433 1.00 2.60 C ATOM 2535 NZ LYS B 61 -12.124 8.180 -13.353 1.00 3.16 N ATOM 0 H LYS B 61 -16.676 6.503 -9.993 1.00 0.97 H new ATOM 0 HA LYS B 61 -16.986 4.237 -11.751 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -14.272 5.322 -11.537 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -15.315 5.189 -12.939 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -16.514 7.267 -12.185 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -15.359 7.416 -10.875 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -14.689 7.416 -13.846 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -14.722 8.825 -12.804 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -12.908 7.846 -11.414 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -12.882 6.425 -12.440 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -11.148 7.981 -13.053 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -12.266 7.830 -14.322 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -12.292 9.206 -13.328 1.00 3.16 H new ATOM 2549 N THR B 62 -14.501 4.114 -9.574 1.00 0.99 N ATOM 2550 CA THR B 62 -13.689 3.210 -8.765 1.00 0.96 C ATOM 2551 C THR B 62 -14.569 2.237 -7.988 1.00 0.87 C ATOM 2552 O THR B 62 -14.171 1.111 -7.686 1.00 0.84 O ATOM 2553 CB THR B 62 -12.799 3.994 -7.785 1.00 1.03 C ATOM 2554 OG1 THR B 62 -11.994 4.936 -8.505 1.00 1.13 O ATOM 2555 CG2 THR B 62 -11.907 3.053 -6.990 1.00 1.05 C ATOM 0 H THR B 62 -14.192 5.086 -9.555 1.00 0.99 H new ATOM 0 HA THR B 62 -13.051 2.646 -9.446 1.00 0.96 H new ATOM 0 HB THR B 62 -13.444 4.527 -7.087 1.00 1.03 H new ATOM 0 HG1 THR B 62 -11.431 5.433 -7.876 1.00 1.13 H new ATOM 0 HG21 THR B 62 -11.288 3.631 -6.304 1.00 1.05 H new ATOM 0 HG22 THR B 62 -12.526 2.358 -6.422 1.00 1.05 H new ATOM 0 HG23 THR B 62 -11.267 2.494 -7.673 1.00 1.05 H new ATOM 2563 N LEU B 63 -15.768 2.698 -7.672 1.00 0.86 N ATOM 2564 CA LEU B 63 -16.752 1.903 -6.963 1.00 0.83 C ATOM 2565 C LEU B 63 -16.931 0.541 -7.626 1.00 0.80 C ATOM 2566 O LEU B 63 -16.439 -0.469 -7.129 1.00 0.89 O ATOM 2567 CB LEU B 63 -18.065 2.677 -6.940 1.00 0.95 C ATOM 2568 CG LEU B 63 -19.229 2.003 -6.227 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.227 3.045 -5.750 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -19.914 0.993 -7.136 1.00 1.41 C ATOM 0 H LEU B 63 -16.086 3.639 -7.902 1.00 0.86 H new ATOM 0 HA LEU B 63 -16.415 1.720 -5.943 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -17.886 3.642 -6.467 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -18.363 2.877 -7.969 1.00 0.95 H new ATOM 0 HG LEU B 63 -18.835 1.469 -5.362 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.055 2.550 -5.242 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.735 3.731 -5.060 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -20.608 3.603 -6.606 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -20.742 0.526 -6.602 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -20.294 1.501 -8.023 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -19.197 0.228 -7.435 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.625 0.516 -8.755 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.851 -0.731 -9.476 1.00 0.81 C ATOM 2584 C ASP B 64 -16.530 -1.417 -9.816 1.00 0.81 C ATOM 2585 O ASP B 64 -16.495 -2.617 -10.085 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.642 -0.467 -10.756 1.00 0.91 C ATOM 2587 CG ASP B 64 -18.896 -1.734 -11.550 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -18.031 -2.101 -12.373 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -19.959 -2.358 -11.350 1.00 2.05 O ATOM 0 H ASP B 64 -18.040 1.340 -9.191 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.426 -1.393 -8.828 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -19.595 -0.003 -10.502 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.097 0.244 -11.377 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.444 -0.648 -9.804 1.00 0.81 N ATOM 2595 CA VAL B 65 -14.126 -1.182 -10.117 1.00 0.87 C ATOM 2596 C VAL B 65 -13.532 -1.963 -8.946 1.00 0.77 C ATOM 2597 O VAL B 65 -13.497 -3.193 -8.961 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.152 -0.053 -10.515 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.767 -0.608 -10.816 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.692 0.719 -11.709 1.00 1.07 C ATOM 0 H VAL B 65 -15.453 0.347 -9.580 1.00 0.81 H new ATOM 0 HA VAL B 65 -14.259 -1.864 -10.957 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.063 0.632 -9.672 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.100 0.208 -11.094 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.376 -1.111 -9.931 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.831 -1.320 -11.639 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -12.993 1.511 -11.976 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.814 0.042 -12.555 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -14.656 1.157 -11.453 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.070 -1.239 -7.932 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.442 -1.859 -6.769 1.00 0.67 C ATOM 2612 C ASN B 66 -13.451 -2.397 -5.759 1.00 0.56 C ATOM 2613 O ASN B 66 -13.317 -2.136 -4.562 1.00 0.57 O ATOM 2614 CB ASN B 66 -11.531 -0.860 -6.054 1.00 0.81 C ATOM 2615 CG ASN B 66 -10.675 -0.037 -7.004 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.081 0.271 -8.124 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -9.478 0.323 -6.554 1.00 1.10 N ATOM 0 H ASN B 66 -13.118 -0.221 -7.891 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.867 -2.700 -7.155 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -12.143 -0.187 -5.453 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -10.881 -1.400 -5.366 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -8.857 0.876 -7.144 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -9.180 0.046 -5.618 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.457 -3.144 -6.199 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.405 -3.675 -5.233 1.00 0.68 C ATOM 2626 C GLN B 67 -14.773 -4.752 -4.401 1.00 0.61 C ATOM 2627 O GLN B 67 -15.097 -4.913 -3.229 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.703 -4.173 -5.849 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.627 -5.136 -7.020 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.667 -6.292 -6.857 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.971 -7.255 -6.157 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -14.526 -6.231 -7.544 1.00 1.44 N ATOM 0 H GLN B 67 -14.632 -3.387 -7.174 1.00 0.63 H new ATOM 0 HA GLN B 67 -15.677 -2.834 -4.596 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.280 -4.655 -5.060 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -17.272 -3.301 -6.173 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.624 -5.538 -7.201 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.343 -4.575 -7.910 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.316 -5.410 -8.112 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -13.863 -7.005 -7.501 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.848 -5.464 -5.000 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.153 -6.511 -4.311 1.00 0.62 C ATOM 2643 C ASP B 68 -11.999 -5.922 -3.512 1.00 0.59 C ATOM 2644 O ASP B 68 -11.219 -6.660 -2.912 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.674 -7.574 -5.290 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.757 -8.575 -5.636 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.242 -9.267 -4.717 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -14.121 -8.669 -6.827 1.00 1.50 O ATOM 0 H ASP B 68 -13.562 -5.331 -5.970 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.836 -6.998 -3.615 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.325 -7.091 -6.203 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.821 -8.100 -4.861 1.00 0.73 H new ATOM 2653 N SER B 69 -11.898 -4.567 -3.501 1.00 0.56 N ATOM 2654 CA SER B 69 -10.867 -3.854 -2.746 1.00 0.58 C ATOM 2655 C SER B 69 -10.658 -4.548 -1.425 1.00 0.62 C ATOM 2656 O SER B 69 -9.557 -4.601 -0.892 1.00 0.74 O ATOM 2657 CB SER B 69 -11.315 -2.417 -2.507 1.00 0.66 C ATOM 2658 OG SER B 69 -10.406 -1.727 -1.677 1.00 1.74 O ATOM 0 H SER B 69 -12.530 -3.954 -4.015 1.00 0.56 H new ATOM 0 HA SER B 69 -9.933 -3.849 -3.308 1.00 0.58 H new ATOM 0 HB2 SER B 69 -11.405 -1.898 -3.462 1.00 0.66 H new ATOM 0 HB3 SER B 69 -12.304 -2.414 -2.048 1.00 0.66 H new ATOM 0 HG SER B 69 -10.902 -1.166 -1.044 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.756 -5.073 -0.915 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.738 -5.842 0.297 1.00 0.76 C ATOM 2666 C GLU B 70 -12.247 -7.228 0.015 1.00 0.77 C ATOM 2667 O GLU B 70 -13.202 -7.422 -0.737 1.00 0.81 O ATOM 2668 CB GLU B 70 -12.595 -5.260 1.386 1.00 0.84 C ATOM 2669 CG GLU B 70 -12.659 -6.199 2.575 1.00 1.33 C ATOM 2670 CD GLU B 70 -13.153 -5.540 3.821 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -13.096 -4.302 3.900 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -13.585 -6.268 4.735 1.00 2.73 O ATOM 0 H GLU B 70 -12.680 -4.974 -1.335 1.00 0.63 H new ATOM 0 HA GLU B 70 -10.704 -5.843 0.642 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -12.191 -4.297 1.698 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -13.600 -5.077 1.006 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -13.312 -7.038 2.332 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -11.666 -6.610 2.759 1.00 1.33 H new ATOM 2679 N LEU B 71 -11.601 -8.184 0.624 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.977 -9.547 0.444 1.00 0.83 C ATOM 2681 C LEU B 71 -11.740 -10.376 1.685 1.00 0.81 C ATOM 2682 O LEU B 71 -11.036 -9.970 2.610 1.00 0.86 O ATOM 2683 CB LEU B 71 -11.242 -10.136 -0.749 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.738 -9.950 -0.731 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -9.390 -8.471 -0.862 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -9.157 -10.565 0.524 1.00 1.25 C ATOM 0 H LEU B 71 -10.809 -8.037 1.250 1.00 0.79 H new ATOM 0 HA LEU B 71 -13.050 -9.571 0.251 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.460 -11.203 -0.801 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.638 -9.685 -1.659 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.295 -10.464 -1.584 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.307 -8.349 -0.848 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -9.786 -8.086 -1.802 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.828 -7.919 -0.030 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -8.076 -10.427 0.530 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -9.589 -10.081 1.400 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -9.387 -11.630 0.547 1.00 1.25 H new ATOM 2698 N ARG B 72 -12.341 -11.537 1.683 1.00 0.77 N ATOM 2699 CA ARG B 72 -12.179 -12.498 2.741 1.00 0.80 C ATOM 2700 C ARG B 72 -11.343 -13.655 2.196 1.00 0.69 C ATOM 2701 O ARG B 72 -11.018 -14.587 2.927 1.00 0.76 O ATOM 2702 CB ARG B 72 -13.531 -13.052 3.209 1.00 0.91 C ATOM 2703 CG ARG B 72 -14.725 -12.157 2.934 1.00 1.00 C ATOM 2704 CD ARG B 72 -14.520 -10.760 3.483 1.00 1.06 C ATOM 2705 NE ARG B 72 -14.005 -10.786 4.850 1.00 1.30 N ATOM 2706 CZ ARG B 72 -13.282 -9.809 5.393 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -12.993 -8.721 4.693 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -12.849 -9.923 6.641 1.00 1.42 N ATOM 0 H ARG B 72 -12.965 -11.845 0.937 1.00 0.77 H new ATOM 0 HA ARG B 72 -11.697 -12.013 3.590 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -13.699 -14.014 2.725 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -13.477 -13.240 4.281 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -14.899 -12.103 1.859 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -15.618 -12.595 3.380 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -13.825 -10.216 2.843 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -15.465 -10.218 3.461 1.00 1.06 H new ATOM 0 HE ARG B 72 -14.212 -11.603 5.424 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -13.325 -8.629 3.733 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -12.439 -7.976 5.114 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -13.070 -10.758 7.183 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -12.295 -9.176 7.059 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.967 -13.573 0.903 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.236 -14.625 0.271 1.00 0.57 C ATOM 2724 C PHE B 73 -8.923 -14.094 -0.372 1.00 0.52 C ATOM 2725 O PHE B 73 -8.173 -13.398 0.301 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.206 -15.390 -0.673 1.00 0.65 C ATOM 2727 CG PHE B 73 -11.596 -14.714 -1.970 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.104 -13.414 -2.019 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -11.422 -15.400 -3.162 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -12.423 -12.834 -3.234 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -11.745 -14.824 -4.368 1.00 1.44 C ATOM 2732 CZ PHE B 73 -12.245 -13.542 -4.407 1.00 0.87 C ATOM 0 H PHE B 73 -11.171 -12.777 0.298 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.872 -15.356 0.993 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.751 -16.350 -0.917 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.119 -15.603 -0.117 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.249 -12.859 -1.104 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -11.026 -16.405 -3.143 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -12.812 -11.827 -3.265 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -11.606 -15.378 -5.285 1.00 1.44 H new ATOM 0 HZ PHE B 73 -12.498 -13.090 -5.354 1.00 0.87 H new ATOM 2742 N SER B 74 -8.691 -14.301 -1.667 1.00 0.48 N ATOM 2743 CA SER B 74 -7.421 -13.924 -2.294 1.00 0.48 C ATOM 2744 C SER B 74 -7.559 -12.738 -3.217 1.00 0.42 C ATOM 2745 O SER B 74 -6.682 -12.466 -4.036 1.00 0.46 O ATOM 2746 CB SER B 74 -6.817 -15.092 -3.068 1.00 0.63 C ATOM 2747 OG SER B 74 -7.815 -15.836 -3.746 1.00 1.03 O ATOM 0 H SER B 74 -9.364 -14.727 -2.304 1.00 0.48 H new ATOM 0 HA SER B 74 -6.756 -13.644 -1.477 1.00 0.48 H new ATOM 0 HB2 SER B 74 -6.090 -14.716 -3.788 1.00 0.63 H new ATOM 0 HB3 SER B 74 -6.278 -15.745 -2.382 1.00 0.63 H new ATOM 0 HG SER B 74 -7.397 -16.576 -4.234 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.660 -12.038 -3.087 1.00 0.43 N ATOM 2754 CA GLU B 75 -8.892 -10.843 -3.860 1.00 0.42 C ATOM 2755 C GLU B 75 -7.969 -9.719 -3.369 1.00 0.42 C ATOM 2756 O GLU B 75 -7.944 -8.638 -3.946 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.346 -10.425 -3.661 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.193 -10.472 -4.906 1.00 0.59 C ATOM 2759 CD GLU B 75 -10.563 -9.730 -6.060 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -9.476 -9.161 -5.858 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.155 -9.718 -7.159 1.00 1.41 O ATOM 0 H GLU B 75 -9.416 -12.279 -2.446 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.688 -11.033 -4.914 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.796 -11.072 -2.908 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.366 -9.411 -3.263 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.356 -11.511 -5.192 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.172 -10.042 -4.693 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.216 -9.991 -2.283 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.350 -9.002 -1.660 1.00 0.38 C ATOM 2770 C TYR B 76 -5.661 -8.077 -2.649 1.00 0.39 C ATOM 2771 O TYR B 76 -5.400 -6.921 -2.335 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.338 -9.665 -0.720 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.857 -9.875 0.686 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.813 -9.032 1.243 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.406 -10.938 1.451 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -7.302 -9.235 2.499 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -5.891 -11.154 2.724 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.844 -10.299 3.247 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.331 -10.509 4.516 1.00 0.54 O ATOM 0 H TYR B 76 -7.200 -10.902 -1.825 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.007 -8.364 -1.070 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.046 -10.629 -1.137 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.439 -9.050 -0.677 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -7.177 -8.195 0.665 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -4.663 -11.608 1.044 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -8.045 -8.565 2.907 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.529 -11.986 3.309 1.00 1.26 H new ATOM 0 HH TYR B 76 -6.904 -11.301 4.903 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.399 -8.554 -3.845 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.761 -7.718 -4.859 1.00 0.43 C ATOM 2791 C TRP B 77 -5.608 -6.476 -5.134 1.00 0.45 C ATOM 2792 O TRP B 77 -5.134 -5.526 -5.747 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.560 -8.503 -6.152 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.854 -8.851 -6.803 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.723 -7.981 -7.379 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.444 -10.149 -6.916 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -7.810 -8.655 -7.861 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.667 -9.990 -7.587 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.056 -11.428 -6.518 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.508 -11.063 -7.868 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -6.890 -12.493 -6.792 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.103 -12.305 -7.461 1.00 0.56 C ATOM 0 H TRP B 77 -5.612 -9.505 -4.146 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.787 -7.407 -4.481 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -3.954 -7.916 -6.842 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.005 -9.416 -5.939 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.577 -6.913 -7.446 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.601 -8.232 -8.347 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.119 -11.583 -6.004 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.444 -10.921 -8.387 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.601 -13.487 -6.485 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -8.734 -13.158 -7.661 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.871 -6.488 -4.697 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.738 -5.350 -4.896 1.00 0.47 C ATOM 2815 C ARG B 78 -7.419 -4.268 -3.871 1.00 0.49 C ATOM 2816 O ARG B 78 -7.779 -3.106 -4.052 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.214 -5.776 -4.904 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.564 -6.521 -6.173 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.730 -5.579 -7.351 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.244 -6.267 -8.531 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.344 -5.703 -9.730 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -9.964 -4.445 -9.908 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -10.823 -6.398 -10.753 1.00 2.83 N ATOM 0 H ARG B 78 -7.302 -7.272 -4.208 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.553 -4.916 -5.879 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.417 -6.409 -4.040 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.849 -4.895 -4.810 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.782 -7.247 -6.396 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.487 -7.082 -6.023 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.409 -4.772 -7.077 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -8.770 -5.121 -7.588 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.544 -7.237 -8.429 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -9.594 -3.908 -9.124 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -10.042 -4.014 -10.829 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -11.115 -7.366 -10.620 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -10.899 -5.964 -11.673 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.734 -4.657 -2.788 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.286 -3.692 -1.800 1.00 0.45 C ATOM 2839 C LEU B 79 -5.025 -3.018 -2.331 1.00 0.46 C ATOM 2840 O LEU B 79 -4.658 -1.925 -1.900 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.927 -4.331 -0.450 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.572 -5.667 -0.062 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.535 -6.510 0.668 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.774 -5.441 0.841 1.00 0.88 C ATOM 0 H LEU B 79 -6.484 -5.625 -2.583 1.00 0.42 H new ATOM 0 HA LEU B 79 -7.107 -2.994 -1.636 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.846 -4.470 -0.429 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -6.171 -3.610 0.330 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.913 -6.179 -0.962 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.977 -7.465 0.952 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.682 -6.685 0.013 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.203 -5.984 1.563 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.217 -6.402 1.104 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.456 -4.927 1.748 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.512 -4.832 0.319 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.364 -3.697 -3.269 1.00 0.44 N ATOM 2857 CA ILE B 80 -3.134 -3.216 -3.865 1.00 0.48 C ATOM 2858 C ILE B 80 -3.205 -1.713 -4.171 1.00 0.48 C ATOM 2859 O ILE B 80 -2.296 -0.958 -3.825 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.800 -4.042 -5.139 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.289 -4.050 -5.371 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.524 -3.503 -6.368 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.870 -4.790 -6.620 1.00 1.16 C ATOM 0 H ILE B 80 -4.674 -4.598 -3.633 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.327 -3.353 -3.145 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.147 -5.063 -4.979 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.934 -3.021 -5.433 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.800 -4.504 -4.509 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.264 -4.107 -7.237 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.601 -3.547 -6.204 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -3.225 -2.469 -6.542 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.215 -4.753 -6.718 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.193 -5.829 -6.553 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.329 -4.323 -7.491 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.289 -1.289 -4.815 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.457 0.117 -5.140 1.00 0.49 C ATOM 2877 C GLY B 81 -4.980 0.938 -3.969 1.00 0.43 C ATOM 2878 O GLY B 81 -5.001 2.168 -4.031 1.00 0.43 O ATOM 0 H GLY B 81 -5.053 -1.893 -5.117 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.501 0.526 -5.465 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -5.146 0.211 -5.979 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.409 0.261 -2.904 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.935 0.931 -1.720 1.00 0.39 C ATOM 2884 C GLU B 82 -4.818 1.434 -0.845 1.00 0.33 C ATOM 2885 O GLU B 82 -4.678 2.632 -0.625 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.757 -0.033 -0.918 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.859 -0.698 -1.715 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.819 0.307 -2.323 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -8.841 1.465 -1.856 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -9.550 -0.066 -3.266 1.00 1.48 O ATOM 0 H GLU B 82 -5.401 -0.757 -2.839 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.542 1.772 -2.053 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -6.102 -0.802 -0.507 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -7.199 0.495 -0.073 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.417 -1.301 -2.509 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.412 -1.379 -1.068 1.00 0.46 H new ATOM 2897 N LEU B 83 -4.000 0.495 -0.370 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.865 0.823 0.480 1.00 0.35 C ATOM 2899 C LEU B 83 -2.041 1.910 -0.167 1.00 0.34 C ATOM 2900 O LEU B 83 -1.220 2.553 0.481 1.00 0.41 O ATOM 2901 CB LEU B 83 -2.001 -0.410 0.725 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.171 -1.044 2.100 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.298 -2.283 2.223 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.836 -0.035 3.189 1.00 1.31 C ATOM 0 H LEU B 83 -4.106 -0.501 -0.563 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.240 1.177 1.441 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.233 -1.156 -0.035 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.954 -0.135 0.593 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.211 -1.347 2.222 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.430 -2.725 3.211 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.584 -3.007 1.460 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.253 -2.006 2.086 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.961 -0.500 4.167 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.804 0.295 3.074 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.503 0.823 3.107 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.224 2.078 -1.467 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.526 3.120 -2.165 1.00 0.37 C ATOM 2918 C ALA B 84 -2.200 4.469 -1.951 1.00 0.41 C ATOM 2919 O ALA B 84 -1.526 5.482 -1.817 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.443 2.811 -3.642 1.00 0.41 C ATOM 0 H ALA B 84 -2.843 1.510 -2.045 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.515 3.172 -1.760 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.910 3.613 -4.152 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.910 1.871 -3.788 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.449 2.725 -4.053 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.533 4.481 -1.900 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.277 5.728 -1.716 1.00 0.51 C ATOM 2928 C LYS B 85 -3.656 6.612 -0.650 1.00 0.50 C ATOM 2929 O LYS B 85 -3.778 7.837 -0.693 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.745 5.465 -1.389 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.668 5.757 -2.555 1.00 1.19 C ATOM 2932 CD LYS B 85 -6.620 4.643 -3.578 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.605 3.556 -3.215 1.00 1.56 C ATOM 2934 NZ LYS B 85 -8.978 3.873 -3.698 1.00 2.69 N ATOM 0 H LYS B 85 -4.116 3.648 -1.983 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.224 6.259 -2.666 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.865 4.424 -1.089 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.038 6.078 -0.537 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.689 5.879 -2.193 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.381 6.698 -3.024 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -6.852 5.038 -4.567 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -5.613 4.229 -3.628 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.277 2.610 -3.645 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -7.621 3.426 -2.133 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -9.672 3.611 -2.969 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -9.050 4.892 -3.895 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.172 3.338 -4.568 1.00 2.69 H new ATOM 2948 N GLU B 86 -2.990 5.991 0.302 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.338 6.738 1.365 1.00 0.45 C ATOM 2950 C GLU B 86 -1.031 7.316 0.853 1.00 0.44 C ATOM 2951 O GLU B 86 -0.719 8.478 1.094 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.079 5.861 2.600 1.00 0.48 C ATOM 2953 CG GLU B 86 -1.518 4.493 2.274 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.149 3.696 3.508 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -0.020 3.869 4.012 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -1.989 2.894 3.968 1.00 2.60 O ATOM 0 H GLU B 86 -2.885 4.978 0.364 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.004 7.545 1.669 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.385 6.379 3.262 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.013 5.739 3.149 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -2.252 3.934 1.693 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -0.635 4.609 1.645 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.283 6.488 0.137 1.00 0.44 N ATOM 2964 CA VAL B 87 1.000 6.884 -0.425 1.00 0.46 C ATOM 2965 C VAL B 87 0.844 7.664 -1.736 1.00 0.46 C ATOM 2966 O VAL B 87 1.774 8.340 -2.175 1.00 0.54 O ATOM 2967 CB VAL B 87 1.896 5.642 -0.640 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.119 5.977 -1.466 1.00 1.01 C ATOM 2969 CG2 VAL B 87 2.304 5.054 0.702 1.00 0.81 C ATOM 0 H VAL B 87 -0.548 5.525 -0.070 1.00 0.44 H new ATOM 0 HA VAL B 87 1.476 7.552 0.292 1.00 0.46 H new ATOM 0 HB VAL B 87 1.319 4.901 -1.193 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.726 5.081 -1.597 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.808 6.351 -2.442 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.705 6.741 -0.955 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.935 4.180 0.540 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.857 5.800 1.273 1.00 0.81 H new ATOM 0 HG23 VAL B 87 1.413 4.760 1.257 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.324 7.572 -2.354 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.573 8.255 -3.617 1.00 0.51 C ATOM 2981 C ARG B 88 -0.710 9.754 -3.414 1.00 0.50 C ATOM 2982 O ARG B 88 0.108 10.530 -3.901 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.832 7.693 -4.281 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.936 8.024 -5.759 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.179 7.408 -6.381 1.00 1.33 C ATOM 2986 NE ARG B 88 -4.406 7.935 -5.790 1.00 1.83 N ATOM 2987 CZ ARG B 88 -5.599 7.373 -5.951 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.720 6.265 -6.670 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -6.671 7.914 -5.391 1.00 3.50 N ATOM 0 H ARG B 88 -1.115 7.032 -2.003 1.00 0.49 H new ATOM 0 HA ARG B 88 0.282 8.081 -4.270 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -1.846 6.610 -4.157 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.710 8.084 -3.767 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.960 9.106 -5.890 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.049 7.660 -6.278 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -3.181 7.601 -7.454 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -3.150 6.326 -6.252 1.00 1.33 H new ATOM 0 HE ARG B 88 -4.344 8.780 -5.223 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -4.897 5.844 -7.100 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.636 5.834 -6.793 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -6.582 8.764 -4.835 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -7.586 7.480 -5.516 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.743 10.157 -2.695 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.975 11.570 -2.433 1.00 0.49 C ATOM 3005 C LYS B 89 -0.800 12.151 -1.660 1.00 0.48 C ATOM 3006 O LYS B 89 -0.389 13.290 -1.876 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.285 11.745 -1.650 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.130 11.760 -0.128 1.00 0.69 C ATOM 3009 CD LYS B 89 -2.878 13.175 0.366 1.00 1.55 C ATOM 3010 CE LYS B 89 -2.454 13.189 1.819 1.00 2.46 C ATOM 3011 NZ LYS B 89 -2.008 14.539 2.253 1.00 3.29 N ATOM 0 H LYS B 89 -2.433 9.530 -2.283 1.00 0.47 H new ATOM 0 HA LYS B 89 -2.064 12.106 -3.378 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.755 12.678 -1.962 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.965 10.938 -1.923 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -4.030 11.360 0.339 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -2.304 11.113 0.166 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -2.105 13.642 -0.244 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -3.783 13.770 0.244 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.286 12.863 2.443 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -1.645 12.474 1.968 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -2.178 14.649 3.273 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -0.992 14.649 2.057 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -2.541 15.265 1.733 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.281 11.342 -0.753 1.00 0.47 N ATOM 3026 CA GLU B 90 0.833 11.735 0.079 1.00 0.52 C ATOM 3027 C GLU B 90 2.096 11.919 -0.751 1.00 0.56 C ATOM 3028 O GLU B 90 3.090 12.457 -0.265 1.00 0.62 O ATOM 3029 CB GLU B 90 1.049 10.687 1.160 1.00 0.56 C ATOM 3030 CG GLU B 90 0.032 10.758 2.287 1.00 0.62 C ATOM 3031 CD GLU B 90 0.363 9.815 3.430 1.00 1.24 C ATOM 3032 OE1 GLU B 90 1.153 10.209 4.313 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.171 8.686 3.444 1.00 1.93 O ATOM 0 H GLU B 90 -0.622 10.397 -0.576 1.00 0.47 H new ATOM 0 HA GLU B 90 0.604 12.693 0.547 1.00 0.52 H new ATOM 0 HB2 GLU B 90 1.009 9.696 0.707 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.049 10.807 1.576 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.016 11.779 2.665 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.956 10.517 1.896 1.00 0.62 H new ATOM 3040 N LYS B 91 2.060 11.470 -2.007 1.00 0.54 N ATOM 3041 CA LYS B 91 3.209 11.613 -2.885 1.00 0.61 C ATOM 3042 C LYS B 91 3.669 13.063 -2.905 1.00 0.63 C ATOM 3043 O LYS B 91 4.847 13.359 -2.720 1.00 0.70 O ATOM 3044 CB LYS B 91 2.878 11.136 -4.302 1.00 0.62 C ATOM 3045 CG LYS B 91 2.064 12.118 -5.130 1.00 0.61 C ATOM 3046 CD LYS B 91 1.809 11.574 -6.527 1.00 0.67 C ATOM 3047 CE LYS B 91 1.000 12.550 -7.365 1.00 0.70 C ATOM 3048 NZ LYS B 91 0.831 12.071 -8.765 1.00 1.38 N ATOM 0 H LYS B 91 1.254 11.010 -2.430 1.00 0.54 H new ATOM 0 HA LYS B 91 4.017 10.990 -2.502 1.00 0.61 H new ATOM 0 HB2 LYS B 91 3.810 10.925 -4.826 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.330 10.196 -4.235 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.114 12.317 -4.634 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.593 13.069 -5.197 1.00 0.61 H new ATOM 0 HD2 LYS B 91 2.760 11.372 -7.019 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.278 10.625 -6.458 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.020 12.694 -6.910 1.00 0.70 H new ATOM 0 HE3 LYS B 91 1.495 13.521 -7.371 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.274 12.764 -9.304 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 1.765 11.957 -9.208 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.336 11.156 -8.762 1.00 1.38 H new ATOM 3062 N ALA B 92 2.714 13.955 -3.119 1.00 0.60 N ATOM 3063 CA ALA B 92 2.989 15.387 -3.168 1.00 0.65 C ATOM 3064 C ALA B 92 3.077 16.002 -1.778 1.00 0.63 C ATOM 3065 O ALA B 92 3.689 17.053 -1.605 1.00 0.69 O ATOM 3066 CB ALA B 92 1.924 16.088 -3.995 1.00 0.73 C ATOM 0 H ALA B 92 1.734 13.712 -3.263 1.00 0.60 H new ATOM 0 HA ALA B 92 3.962 15.523 -3.639 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.134 17.157 -4.028 1.00 0.73 H new ATOM 0 HB2 ALA B 92 1.927 15.686 -5.008 1.00 0.73 H new ATOM 0 HB3 ALA B 92 0.946 15.925 -3.543 1.00 0.73 H new ATOM 3072 N LEU B 93 2.461 15.366 -0.790 1.00 0.62 N ATOM 3073 CA LEU B 93 2.513 15.891 0.567 1.00 0.65 C ATOM 3074 C LEU B 93 3.830 15.519 1.231 1.00 0.59 C ATOM 3075 O LEU B 93 4.312 16.227 2.116 1.00 0.63 O ATOM 3076 CB LEU B 93 1.350 15.378 1.413 1.00 0.74 C ATOM 3077 CG LEU B 93 1.163 16.129 2.729 1.00 0.81 C ATOM 3078 CD1 LEU B 93 0.023 17.130 2.621 1.00 1.03 C ATOM 3079 CD2 LEU B 93 0.922 15.156 3.873 1.00 0.95 C ATOM 0 H LEU B 93 1.929 14.502 -0.899 1.00 0.62 H new ATOM 0 HA LEU B 93 2.434 16.976 0.500 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.431 15.450 0.831 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.509 14.321 1.629 1.00 0.74 H new ATOM 0 HG LEU B 93 2.079 16.681 2.940 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.092 17.654 3.570 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.245 17.850 1.834 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.901 16.604 2.382 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.791 15.711 4.802 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.025 14.571 3.670 1.00 0.95 H new ATOM 0 HD23 LEU B 93 1.777 14.487 3.968 1.00 0.95 H new ATOM 3091 N GLY B 94 4.413 14.402 0.797 1.00 0.53 N ATOM 3092 CA GLY B 94 5.678 13.963 1.358 1.00 0.51 C ATOM 3093 C GLY B 94 6.689 15.084 1.414 1.00 0.52 C ATOM 3094 O GLY B 94 7.391 15.248 2.411 1.00 0.57 O ATOM 0 H GLY B 94 4.032 13.797 0.070 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.514 13.572 2.362 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.076 13.144 0.758 1.00 0.51 H new ATOM 3098 N ILE B 95 6.768 15.853 0.333 1.00 0.53 N ATOM 3099 CA ILE B 95 7.682 16.978 0.270 1.00 0.57 C ATOM 3100 C ILE B 95 7.223 18.067 1.220 1.00 0.60 C ATOM 3101 O ILE B 95 6.864 19.162 0.798 1.00 0.67 O ATOM 3102 CB ILE B 95 7.776 17.554 -1.156 1.00 0.63 C ATOM 3103 CG1 ILE B 95 8.830 18.660 -1.227 1.00 1.32 C ATOM 3104 CG2 ILE B 95 6.428 18.071 -1.608 1.00 1.13 C ATOM 3105 CD1 ILE B 95 8.950 19.285 -2.599 1.00 1.68 C ATOM 0 H ILE B 95 6.209 15.714 -0.509 1.00 0.53 H new ATOM 0 HA ILE B 95 8.670 16.619 0.560 1.00 0.57 H new ATOM 0 HB ILE B 95 8.081 16.753 -1.829 1.00 0.63 H new ATOM 0 HG12 ILE B 95 8.582 19.436 -0.502 1.00 1.32 H new ATOM 0 HG13 ILE B 95 9.797 18.250 -0.936 1.00 1.32 H new ATOM 0 HG21 ILE B 95 6.513 18.474 -2.617 1.00 1.13 H new ATOM 0 HG22 ILE B 95 5.705 17.255 -1.603 1.00 1.13 H new ATOM 0 HG23 ILE B 95 6.094 18.857 -0.930 1.00 1.13 H new ATOM 0 HD11 ILE B 95 9.715 20.061 -2.579 1.00 1.68 H new ATOM 0 HD12 ILE B 95 9.228 18.520 -3.324 1.00 1.68 H new ATOM 0 HD13 ILE B 95 7.994 19.724 -2.884 1.00 1.68 H new ATOM 3117 N ARG B 96 7.227 17.757 2.512 1.00 0.64 N ATOM 3118 CA ARG B 96 6.799 18.725 3.513 1.00 0.74 C ATOM 3119 C ARG B 96 7.643 19.982 3.383 1.00 0.82 C ATOM 3120 O ARG B 96 7.192 21.090 3.673 1.00 0.93 O ATOM 3121 CB ARG B 96 6.916 18.141 4.921 1.00 0.84 C ATOM 3122 CG ARG B 96 6.215 16.802 5.080 1.00 1.65 C ATOM 3123 CD ARG B 96 4.708 16.934 4.917 1.00 2.45 C ATOM 3124 NE ARG B 96 4.038 15.637 4.955 1.00 2.91 N ATOM 3125 CZ ARG B 96 3.719 15.003 6.079 1.00 3.85 C ATOM 3126 NH1 ARG B 96 4.015 15.541 7.254 1.00 4.47 N ATOM 3127 NH2 ARG B 96 3.106 13.828 6.028 1.00 4.48 N ATOM 0 H ARG B 96 7.518 16.854 2.887 1.00 0.64 H new ATOM 0 HA ARG B 96 5.751 18.973 3.345 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.970 18.022 5.171 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.497 18.849 5.636 1.00 0.84 H new ATOM 0 HG2 ARG B 96 6.601 16.099 4.342 1.00 1.65 H new ATOM 0 HG3 ARG B 96 6.440 16.388 6.063 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.312 17.570 5.709 1.00 2.45 H new ATOM 0 HD3 ARG B 96 4.488 17.428 3.971 1.00 2.45 H new ATOM 0 HE ARG B 96 3.801 15.192 4.068 1.00 2.91 H new ATOM 0 HH11 ARG B 96 4.489 16.443 7.297 1.00 4.47 H new ATOM 0 HH12 ARG B 96 3.769 15.053 8.115 1.00 4.47 H new ATOM 0 HH21 ARG B 96 2.879 13.410 5.126 1.00 4.48 H new ATOM 0 HH22 ARG B 96 2.862 13.342 6.891 1.00 4.48 H new ATOM 3141 N LYS B 97 8.879 19.786 2.936 1.00 0.82 N ATOM 3142 CA LYS B 97 9.802 20.885 2.726 1.00 0.94 C ATOM 3143 C LYS B 97 9.578 21.489 1.345 1.00 0.93 C ATOM 3144 O LYS B 97 10.268 21.148 0.386 1.00 0.98 O ATOM 3145 CB LYS B 97 11.243 20.384 2.857 1.00 1.07 C ATOM 3146 CG LYS B 97 11.607 19.298 1.853 1.00 1.00 C ATOM 3147 CD LYS B 97 12.673 18.368 2.400 1.00 1.56 C ATOM 3148 CE LYS B 97 12.080 17.053 2.877 1.00 1.83 C ATOM 3149 NZ LYS B 97 13.112 16.173 3.489 1.00 2.90 N ATOM 0 H LYS B 97 9.262 18.868 2.712 1.00 0.82 H new ATOM 0 HA LYS B 97 9.626 21.653 3.480 1.00 0.94 H new ATOM 0 HB2 LYS B 97 11.924 21.226 2.731 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.394 20.000 3.866 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.717 18.723 1.599 1.00 1.00 H new ATOM 0 HG3 LYS B 97 11.963 19.758 0.931 1.00 1.00 H new ATOM 0 HD2 LYS B 97 13.417 18.173 1.628 1.00 1.56 H new ATOM 0 HD3 LYS B 97 13.191 18.855 3.226 1.00 1.56 H new ATOM 0 HE2 LYS B 97 11.293 17.251 3.605 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.614 16.538 2.037 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 12.661 15.307 3.848 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 13.823 15.922 2.773 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 13.574 16.674 4.275 1.00 2.90 H new ATOM 3163 N LYS B 98 8.600 22.384 1.252 1.00 0.96 N ATOM 3164 CA LYS B 98 8.275 23.032 -0.013 1.00 1.06 C ATOM 3165 C LYS B 98 8.734 24.487 -0.011 1.00 1.21 C ATOM 3166 O LYS B 98 9.875 24.746 -0.446 1.00 1.61 O ATOM 3167 CB LYS B 98 6.768 22.959 -0.277 1.00 1.07 C ATOM 3168 CG LYS B 98 6.179 21.568 -0.094 1.00 1.07 C ATOM 3169 CD LYS B 98 4.732 21.513 -0.559 1.00 1.52 C ATOM 3170 CE LYS B 98 4.089 20.177 -0.220 1.00 2.00 C ATOM 3171 NZ LYS B 98 2.732 20.047 -0.818 1.00 2.73 N ATOM 3172 OXT LYS B 98 7.948 25.354 0.425 1.00 1.70 O ATOM 0 H LYS B 98 8.019 22.677 2.037 1.00 0.96 H new ATOM 0 HA LYS B 98 8.801 22.505 -0.809 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.257 23.651 0.393 1.00 1.07 H new ATOM 0 HB3 LYS B 98 6.570 23.296 -1.294 1.00 1.07 H new ATOM 0 HG2 LYS B 98 6.771 20.844 -0.654 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.236 21.282 0.956 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.167 22.319 -0.091 1.00 1.52 H new ATOM 0 HD3 LYS B 98 4.688 21.677 -1.636 1.00 1.52 H new ATOM 0 HE2 LYS B 98 4.723 19.367 -0.580 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.020 20.071 0.863 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.626 19.100 -1.235 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.013 20.183 -0.079 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 2.608 20.767 -1.558 1.00 2.73 H new