USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 779 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: A 58 TYR OH : rot -118:sc= 2.26 USER MOD Set 1.2: A 87 LYS NZ :NH3+ 177:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.2: A 39 SER OG : rot 94:sc= 1.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.34 (180deg=1.13) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0.253 K(o=0.25,f=-4.2!) USER MOD Single : A 7 HIS : no HD1:sc= -0.859 K(o=-0.86,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.126 USER MOD Single : A 10 HIS : no HD1:sc=-0.00106 X(o=-0.0011,f=-0.0011) USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= -0.239 (180deg=-0.943) USER MOD Single : A 17 HIS : no HE2:sc= -2.44! C(o=-1.2!,f=-9.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -123:sc= 0.0101 (180deg=-0.322) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0.604 (180deg=-0.303!) USER MOD Single : A 26 GLN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -58:sc= 1.14 USER MOD Single : A 38 SER OG : rot 91:sc= 1.21 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.16) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 0.627 (180deg=-0.734) USER MOD Single : A 45 HIS : no HE2:sc= 0.999 K(o=1,f=-3!) USER MOD Single : A 49 ASN : amide:sc=-0.00458 X(o=-0.0046,f=-0.026) USER MOD Single : A 50 THR OG1 : rot 152:sc= 0.256 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= -0.0115 (180deg=-0.127) USER MOD Single : A 55 MET CE :methyl 155:sc= -0.594 (180deg=-2.21) USER MOD Single : A 56 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.28 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 57:sc= 0.354 USER MOD Single : A 70 ASN : amide:sc= 1.2 K(o=1.2,f=-0.17) USER MOD Single : A 72 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.4) USER MOD Single : A 74 TYR OH : rot 35:sc= -2.07! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 80 SER OG : rot -111:sc= 1.33 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.256 K(o=-0.26,f=-5.2!) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc=-0.00513 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.085 -11.547 -1.071 1.00 0.00 N ATOM 2 CA MET A 1 -5.887 -12.516 -2.169 1.00 0.00 C ATOM 3 C MET A 1 -7.210 -13.199 -2.507 1.00 0.00 C ATOM 4 O MET A 1 -8.126 -13.225 -1.683 1.00 0.00 O ATOM 5 CB MET A 1 -4.834 -13.547 -1.748 1.00 0.00 C ATOM 6 CG MET A 1 -4.360 -14.452 -2.873 1.00 0.00 C ATOM 7 SD MET A 1 -3.060 -15.587 -2.348 1.00 0.00 S ATOM 8 CE MET A 1 -2.632 -16.361 -3.905 1.00 0.00 C ATOM 0 H1 MET A 1 -5.171 -11.124 -0.813 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.738 -10.799 -1.381 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.486 -12.035 -0.245 1.00 0.00 H new ATOM 0 HA MET A 1 -5.536 -11.996 -3.060 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.974 -13.022 -1.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.246 -14.164 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.205 -15.025 -3.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.992 -13.840 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.838 -17.090 -3.743 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.508 -16.863 -4.315 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.288 -15.601 -4.607 1.00 0.00 H new ATOM 20 N GLY A 2 -7.321 -13.722 -3.721 1.00 0.00 N ATOM 21 CA GLY A 2 -8.528 -14.411 -4.121 1.00 0.00 C ATOM 22 C GLY A 2 -9.570 -13.458 -4.666 1.00 0.00 C ATOM 23 O GLY A 2 -9.244 -12.541 -5.422 1.00 0.00 O ATOM 0 H GLY A 2 -6.594 -13.680 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.286 -15.156 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.939 -14.948 -3.266 1.00 0.00 H new ATOM 27 N HIS A 3 -10.818 -13.663 -4.277 1.00 0.00 N ATOM 28 CA HIS A 3 -11.910 -12.807 -4.720 1.00 0.00 C ATOM 29 C HIS A 3 -12.698 -12.314 -3.512 1.00 0.00 C ATOM 30 O HIS A 3 -13.101 -13.107 -2.657 1.00 0.00 O ATOM 31 CB HIS A 3 -12.824 -13.567 -5.691 1.00 0.00 C ATOM 32 CG HIS A 3 -13.909 -12.722 -6.282 1.00 0.00 C ATOM 33 ND1 HIS A 3 -15.247 -12.926 -6.020 1.00 0.00 N ATOM 34 CD2 HIS A 3 -13.852 -11.669 -7.131 1.00 0.00 C ATOM 35 CE1 HIS A 3 -15.965 -12.037 -6.679 1.00 0.00 C ATOM 36 NE2 HIS A 3 -15.144 -11.263 -7.357 1.00 0.00 N ATOM 0 H HIS A 3 -11.102 -14.418 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.499 -11.946 -5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.218 -13.981 -6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -13.276 -14.409 -5.167 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.959 -11.231 -7.551 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.042 -11.958 -6.665 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.423 -10.485 -7.955 1.00 0.00 H new ATOM 45 N HIS A 4 -12.912 -11.006 -3.443 1.00 0.00 N ATOM 46 CA HIS A 4 -13.550 -10.392 -2.284 1.00 0.00 C ATOM 47 C HIS A 4 -15.068 -10.393 -2.386 1.00 0.00 C ATOM 48 O HIS A 4 -15.636 -10.265 -3.471 1.00 0.00 O ATOM 49 CB HIS A 4 -13.067 -8.950 -2.097 1.00 0.00 C ATOM 50 CG HIS A 4 -11.772 -8.827 -1.356 1.00 0.00 C ATOM 51 ND1 HIS A 4 -11.684 -8.908 0.013 1.00 0.00 N ATOM 52 CD2 HIS A 4 -10.511 -8.603 -1.796 1.00 0.00 C ATOM 53 CE1 HIS A 4 -10.432 -8.743 0.384 1.00 0.00 C ATOM 54 NE2 HIS A 4 -9.695 -8.555 -0.692 1.00 0.00 N ATOM 0 H HIS A 4 -12.652 -10.348 -4.178 1.00 0.00 H new ATOM 0 HA HIS A 4 -13.265 -10.997 -1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -12.957 -8.486 -3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.833 -8.389 -1.562 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -10.204 -8.484 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -10.069 -8.759 1.401 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -8.687 -8.400 -0.703 1.00 0.00 H new ATOM 63 N HIS A 5 -15.712 -10.557 -1.239 1.00 0.00 N ATOM 64 CA HIS A 5 -17.146 -10.344 -1.112 1.00 0.00 C ATOM 65 C HIS A 5 -17.380 -9.043 -0.361 1.00 0.00 C ATOM 66 O HIS A 5 -17.575 -9.047 0.853 1.00 0.00 O ATOM 67 CB HIS A 5 -17.817 -11.498 -0.356 1.00 0.00 C ATOM 68 CG HIS A 5 -18.107 -12.703 -1.194 1.00 0.00 C ATOM 69 ND1 HIS A 5 -19.385 -13.066 -1.559 1.00 0.00 N ATOM 70 CD2 HIS A 5 -17.287 -13.644 -1.719 1.00 0.00 C ATOM 71 CE1 HIS A 5 -19.338 -14.172 -2.274 1.00 0.00 C ATOM 72 NE2 HIS A 5 -18.077 -14.547 -2.387 1.00 0.00 N ATOM 0 H HIS A 5 -15.256 -10.841 -0.372 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.583 -10.296 -2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -17.175 -11.794 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -18.751 -11.138 0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -16.211 -13.678 -1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -20.189 -14.686 -2.697 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -17.745 -15.371 -2.888 1.00 0.00 H new ATOM 81 N HIS A 6 -17.326 -7.928 -1.071 1.00 0.00 N ATOM 82 CA HIS A 6 -17.358 -6.628 -0.418 1.00 0.00 C ATOM 83 C HIS A 6 -17.957 -5.563 -1.333 1.00 0.00 C ATOM 84 O HIS A 6 -17.226 -4.824 -1.992 1.00 0.00 O ATOM 85 CB HIS A 6 -15.934 -6.243 0.005 1.00 0.00 C ATOM 86 CG HIS A 6 -15.834 -4.997 0.836 1.00 0.00 C ATOM 87 ND1 HIS A 6 -16.044 -4.979 2.193 1.00 0.00 N ATOM 88 CD2 HIS A 6 -15.493 -3.735 0.496 1.00 0.00 C ATOM 89 CE1 HIS A 6 -15.833 -3.762 2.653 1.00 0.00 C ATOM 90 NE2 HIS A 6 -15.495 -2.983 1.643 1.00 0.00 N ATOM 0 H HIS A 6 -17.261 -7.895 -2.088 1.00 0.00 H new ATOM 0 HA HIS A 6 -17.995 -6.691 0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.501 -7.071 0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.327 -6.114 -0.891 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.261 -3.382 -0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.922 -3.454 3.684 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.273 -1.989 1.705 1.00 0.00 H new ATOM 99 N HIS A 7 -19.289 -5.522 -1.394 1.00 0.00 N ATOM 100 CA HIS A 7 -20.008 -4.487 -2.143 1.00 0.00 C ATOM 101 C HIS A 7 -21.516 -4.733 -2.088 1.00 0.00 C ATOM 102 O HIS A 7 -22.251 -4.348 -3.000 1.00 0.00 O ATOM 103 CB HIS A 7 -19.559 -4.448 -3.607 1.00 0.00 C ATOM 104 CG HIS A 7 -19.432 -3.057 -4.149 1.00 0.00 C ATOM 105 ND1 HIS A 7 -20.452 -2.398 -4.796 1.00 0.00 N ATOM 106 CD2 HIS A 7 -18.388 -2.198 -4.127 1.00 0.00 C ATOM 107 CE1 HIS A 7 -20.037 -1.196 -5.151 1.00 0.00 C ATOM 108 NE2 HIS A 7 -18.787 -1.047 -4.756 1.00 0.00 N ATOM 0 H HIS A 7 -19.896 -6.198 -0.931 1.00 0.00 H new ATOM 0 HA HIS A 7 -19.777 -3.529 -1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.599 -4.956 -3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -20.273 -5.004 -4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -17.417 -2.385 -3.693 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.623 -0.457 -5.677 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.214 -0.215 -4.895 1.00 0.00 H new ATOM 117 N HIS A 8 -21.980 -5.361 -1.015 1.00 0.00 N ATOM 118 CA HIS A 8 -23.398 -5.699 -0.883 1.00 0.00 C ATOM 119 C HIS A 8 -24.134 -4.705 0.011 1.00 0.00 C ATOM 120 O HIS A 8 -25.138 -5.042 0.644 1.00 0.00 O ATOM 121 CB HIS A 8 -23.565 -7.123 -0.344 1.00 0.00 C ATOM 122 CG HIS A 8 -23.796 -8.133 -1.425 1.00 0.00 C ATOM 123 ND1 HIS A 8 -22.994 -9.236 -1.629 1.00 0.00 N ATOM 124 CD2 HIS A 8 -24.763 -8.198 -2.370 1.00 0.00 C ATOM 125 CE1 HIS A 8 -23.457 -9.930 -2.653 1.00 0.00 C ATOM 126 NE2 HIS A 8 -24.529 -9.321 -3.120 1.00 0.00 N ATOM 0 H HIS A 8 -21.401 -5.647 -0.225 1.00 0.00 H new ATOM 0 HA HIS A 8 -23.841 -5.643 -1.877 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -22.674 -7.399 0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -24.403 -7.146 0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -25.571 -7.494 -2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -23.030 -10.842 -3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -25.092 -9.634 -3.910 1.00 0.00 H new ATOM 135 N SER A 9 -23.647 -3.479 0.045 1.00 0.00 N ATOM 136 CA SER A 9 -24.292 -2.422 0.801 1.00 0.00 C ATOM 137 C SER A 9 -24.285 -1.117 0.007 1.00 0.00 C ATOM 138 O SER A 9 -23.316 -0.810 -0.694 1.00 0.00 O ATOM 139 CB SER A 9 -23.590 -2.251 2.152 1.00 0.00 C ATOM 140 OG SER A 9 -22.190 -2.442 2.024 1.00 0.00 O ATOM 0 H SER A 9 -22.801 -3.189 -0.446 1.00 0.00 H new ATOM 0 HA SER A 9 -25.332 -2.694 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 9 -23.790 -1.255 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 9 -23.994 -2.965 2.869 1.00 0.00 H new ATOM 0 HG SER A 9 -21.763 -2.326 2.898 1.00 0.00 H new ATOM 146 N HIS A 10 -25.379 -0.371 0.086 1.00 0.00 N ATOM 147 CA HIS A 10 -25.476 0.910 -0.600 1.00 0.00 C ATOM 148 C HIS A 10 -25.036 2.020 0.341 1.00 0.00 C ATOM 149 O HIS A 10 -25.282 1.943 1.546 1.00 0.00 O ATOM 150 CB HIS A 10 -26.909 1.158 -1.089 1.00 0.00 C ATOM 151 CG HIS A 10 -27.066 2.420 -1.886 1.00 0.00 C ATOM 152 ND1 HIS A 10 -27.659 3.558 -1.389 1.00 0.00 N ATOM 153 CD2 HIS A 10 -26.692 2.716 -3.152 1.00 0.00 C ATOM 154 CE1 HIS A 10 -27.640 4.500 -2.312 1.00 0.00 C ATOM 155 NE2 HIS A 10 -27.057 4.016 -3.394 1.00 0.00 N ATOM 0 H HIS A 10 -26.210 -0.630 0.617 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.822 0.896 -1.472 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -27.227 0.312 -1.699 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -27.575 1.198 -0.227 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -26.197 2.051 -3.845 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -28.035 5.499 -2.202 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -26.904 4.524 -4.265 1.00 0.00 H new ATOM 164 N ALA A 11 -24.367 3.033 -0.215 1.00 0.00 N ATOM 165 CA ALA A 11 -23.829 4.147 0.565 1.00 0.00 C ATOM 166 C ALA A 11 -22.719 3.652 1.481 1.00 0.00 C ATOM 167 O ALA A 11 -22.423 4.254 2.512 1.00 0.00 O ATOM 168 CB ALA A 11 -24.927 4.846 1.362 1.00 0.00 C ATOM 0 H ALA A 11 -24.184 3.103 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 11 -23.411 4.881 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -24.495 5.669 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -25.682 5.234 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -25.389 4.134 2.047 1.00 0.00 H new ATOM 174 N ALA A 12 -22.099 2.554 1.079 1.00 0.00 N ATOM 175 CA ALA A 12 -21.030 1.946 1.849 1.00 0.00 C ATOM 176 C ALA A 12 -19.709 2.662 1.610 1.00 0.00 C ATOM 177 O ALA A 12 -19.653 3.673 0.902 1.00 0.00 O ATOM 178 CB ALA A 12 -20.906 0.472 1.496 1.00 0.00 C ATOM 0 H ALA A 12 -22.322 2.062 0.214 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.275 2.038 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.101 0.025 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.843 -0.036 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.685 0.370 0.434 1.00 0.00 H new ATOM 184 N VAL A 13 -18.655 2.136 2.213 1.00 0.00 N ATOM 185 CA VAL A 13 -17.320 2.686 2.057 1.00 0.00 C ATOM 186 C VAL A 13 -16.867 2.619 0.597 1.00 0.00 C ATOM 187 O VAL A 13 -17.104 1.624 -0.097 1.00 0.00 O ATOM 188 CB VAL A 13 -16.310 1.944 2.965 1.00 0.00 C ATOM 189 CG1 VAL A 13 -16.272 0.460 2.638 1.00 0.00 C ATOM 190 CG2 VAL A 13 -14.922 2.555 2.852 1.00 0.00 C ATOM 0 H VAL A 13 -18.701 1.319 2.822 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.354 3.733 2.359 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.646 2.056 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.555 -0.038 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.261 0.028 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.973 0.324 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.233 2.014 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.578 2.488 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.959 3.601 3.155 1.00 0.00 H new ATOM 200 N ARG A 14 -16.232 3.688 0.143 1.00 0.00 N ATOM 201 CA ARG A 14 -15.708 3.762 -1.204 1.00 0.00 C ATOM 202 C ARG A 14 -14.220 3.497 -1.191 1.00 0.00 C ATOM 203 O ARG A 14 -13.479 4.090 -0.401 1.00 0.00 O ATOM 204 CB ARG A 14 -15.990 5.119 -1.836 1.00 0.00 C ATOM 205 CG ARG A 14 -17.370 5.208 -2.460 1.00 0.00 C ATOM 206 CD ARG A 14 -17.452 6.362 -3.437 1.00 0.00 C ATOM 207 NE ARG A 14 -17.524 7.659 -2.763 1.00 0.00 N ATOM 208 CZ ARG A 14 -16.646 8.648 -2.932 1.00 0.00 C ATOM 209 NH1 ARG A 14 -15.603 8.487 -3.742 1.00 0.00 N ATOM 210 NH2 ARG A 14 -16.819 9.797 -2.290 1.00 0.00 N ATOM 0 H ARG A 14 -16.067 4.526 0.701 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.208 3.002 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.890 5.895 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.239 5.321 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.601 4.275 -2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.119 5.335 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.580 6.343 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.329 6.236 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.299 7.817 -2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.473 7.604 -4.237 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.934 9.246 -3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.620 9.920 -1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.150 10.557 -2.416 1.00 0.00 H new ATOM 224 N LYS A 15 -13.792 2.597 -2.053 1.00 0.00 N ATOM 225 CA LYS A 15 -12.389 2.242 -2.141 1.00 0.00 C ATOM 226 C LYS A 15 -11.580 3.442 -2.604 1.00 0.00 C ATOM 227 O LYS A 15 -11.998 4.176 -3.499 1.00 0.00 O ATOM 228 CB LYS A 15 -12.153 1.073 -3.107 1.00 0.00 C ATOM 229 CG LYS A 15 -12.776 -0.247 -2.674 1.00 0.00 C ATOM 230 CD LYS A 15 -14.282 -0.253 -2.872 1.00 0.00 C ATOM 231 CE LYS A 15 -14.863 -1.646 -2.698 1.00 0.00 C ATOM 232 NZ LYS A 15 -14.173 -2.643 -3.558 1.00 0.00 N ATOM 0 H LYS A 15 -14.397 2.097 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.069 1.931 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.550 1.343 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.079 0.930 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.331 -1.063 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.547 -0.430 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.746 0.427 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.520 0.119 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.779 -1.947 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.925 -1.630 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.863 -3.342 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.737 -2.159 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.436 -3.126 -3.006 1.00 0.00 H new ATOM 246 N ILE A 16 -10.430 3.636 -1.995 1.00 0.00 N ATOM 247 CA ILE A 16 -9.568 4.737 -2.359 1.00 0.00 C ATOM 248 C ILE A 16 -8.549 4.276 -3.387 1.00 0.00 C ATOM 249 O ILE A 16 -8.088 3.132 -3.360 1.00 0.00 O ATOM 250 CB ILE A 16 -8.850 5.352 -1.135 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.055 4.286 -0.374 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.862 6.027 -0.219 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.232 4.844 0.766 1.00 0.00 C ATOM 0 H ILE A 16 -10.071 3.045 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.197 5.517 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.145 6.104 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.746 3.540 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.393 3.771 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.346 6.457 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.377 6.817 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.589 5.291 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.696 4.033 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.516 5.568 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.890 5.334 1.484 1.00 0.00 H new ATOM 265 N HIS A 17 -8.232 5.156 -4.312 1.00 0.00 N ATOM 266 CA HIS A 17 -7.291 4.837 -5.372 1.00 0.00 C ATOM 267 C HIS A 17 -5.900 5.307 -4.990 1.00 0.00 C ATOM 268 O HIS A 17 -5.606 6.498 -5.036 1.00 0.00 O ATOM 269 CB HIS A 17 -7.736 5.483 -6.688 1.00 0.00 C ATOM 270 CG HIS A 17 -9.054 4.967 -7.179 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.263 5.542 -6.855 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.349 3.900 -7.952 1.00 0.00 C ATOM 273 CE1 HIS A 17 -11.240 4.848 -7.404 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.715 3.842 -8.076 1.00 0.00 N ATOM 0 H HIS A 17 -8.612 6.102 -4.354 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.267 3.756 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.803 6.562 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.976 5.304 -7.449 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.384 6.375 -6.280 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.639 3.216 -8.393 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.294 5.067 -7.318 1.00 0.00 H new ATOM 283 N VAL A 18 -5.059 4.369 -4.585 1.00 0.00 N ATOM 284 CA VAL A 18 -3.714 4.689 -4.129 1.00 0.00 C ATOM 285 C VAL A 18 -2.725 4.647 -5.283 1.00 0.00 C ATOM 286 O VAL A 18 -2.837 3.812 -6.186 1.00 0.00 O ATOM 287 CB VAL A 18 -3.241 3.713 -3.035 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.109 3.837 -1.795 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.243 2.284 -3.563 1.00 0.00 C ATOM 0 H VAL A 18 -5.285 3.375 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.752 5.697 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.220 3.972 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.759 3.139 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.049 4.855 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.143 3.606 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.906 1.606 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.253 2.011 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.571 2.211 -4.418 1.00 0.00 H new ATOM 299 N THR A 19 -1.763 5.547 -5.253 1.00 0.00 N ATOM 300 CA THR A 19 -0.733 5.585 -6.268 1.00 0.00 C ATOM 301 C THR A 19 0.475 4.775 -5.817 1.00 0.00 C ATOM 302 O THR A 19 1.188 5.175 -4.900 1.00 0.00 O ATOM 303 CB THR A 19 -0.294 7.031 -6.551 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.442 7.849 -6.821 1.00 0.00 O ATOM 305 CG2 THR A 19 0.656 7.080 -7.735 1.00 0.00 C ATOM 0 H THR A 19 -1.674 6.264 -4.533 1.00 0.00 H new ATOM 0 HA THR A 19 -1.145 5.156 -7.181 1.00 0.00 H new ATOM 0 HB THR A 19 0.223 7.411 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.154 8.769 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.955 8.112 -7.919 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.539 6.479 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.156 6.684 -8.619 1.00 0.00 H new ATOM 313 N VAL A 20 0.702 3.643 -6.459 1.00 0.00 N ATOM 314 CA VAL A 20 1.811 2.780 -6.095 1.00 0.00 C ATOM 315 C VAL A 20 3.036 3.100 -6.945 1.00 0.00 C ATOM 316 O VAL A 20 3.034 2.911 -8.166 1.00 0.00 O ATOM 317 CB VAL A 20 1.444 1.284 -6.249 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.606 0.402 -5.825 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.199 0.940 -5.440 1.00 0.00 C ATOM 0 H VAL A 20 0.134 3.300 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 20 2.040 2.967 -5.046 1.00 0.00 H new ATOM 0 HB VAL A 20 1.230 1.099 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.329 -0.646 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.473 0.618 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.851 0.600 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.036 -0.117 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.381 1.148 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.640 1.543 -5.789 1.00 0.00 H new ATOM 329 N LYS A 21 4.070 3.609 -6.293 1.00 0.00 N ATOM 330 CA LYS A 21 5.308 3.952 -6.969 1.00 0.00 C ATOM 331 C LYS A 21 6.346 2.851 -6.828 1.00 0.00 C ATOM 332 O LYS A 21 6.894 2.636 -5.746 1.00 0.00 O ATOM 333 CB LYS A 21 5.891 5.251 -6.420 1.00 0.00 C ATOM 334 CG LYS A 21 5.434 6.502 -7.148 1.00 0.00 C ATOM 335 CD LYS A 21 6.187 7.720 -6.641 1.00 0.00 C ATOM 336 CE LYS A 21 5.954 8.939 -7.514 1.00 0.00 C ATOM 337 NZ LYS A 21 6.758 10.102 -7.051 1.00 0.00 N ATOM 0 H LYS A 21 4.074 3.794 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 21 5.064 4.078 -8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.622 5.339 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.979 5.195 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.598 6.386 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.363 6.643 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.874 7.940 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.254 7.498 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.213 8.704 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.896 9.199 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.126 10.903 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.277 9.844 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.434 10.374 -7.793 1.00 0.00 H new ATOM 351 N PHE A 22 6.605 2.158 -7.917 1.00 0.00 N ATOM 352 CA PHE A 22 7.717 1.229 -7.977 1.00 0.00 C ATOM 353 C PHE A 22 8.862 1.861 -8.753 1.00 0.00 C ATOM 354 O PHE A 22 8.632 2.723 -9.604 1.00 0.00 O ATOM 355 CB PHE A 22 7.303 -0.086 -8.645 1.00 0.00 C ATOM 356 CG PHE A 22 6.799 -1.123 -7.688 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.467 -1.161 -7.319 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.664 -2.067 -7.163 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.008 -2.122 -6.442 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.212 -3.029 -6.285 1.00 0.00 C ATOM 361 CZ PHE A 22 5.880 -3.058 -5.925 1.00 0.00 C ATOM 0 H PHE A 22 6.059 2.220 -8.776 1.00 0.00 H new ATOM 0 HA PHE A 22 8.037 1.006 -6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.527 0.121 -9.382 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.158 -0.491 -9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.779 -0.432 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.706 -2.050 -7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.966 -2.142 -6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.898 -3.758 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.521 -3.812 -5.240 1.00 0.00 H new ATOM 371 N PRO A 23 10.111 1.454 -8.472 1.00 0.00 N ATOM 372 CA PRO A 23 11.279 1.921 -9.226 1.00 0.00 C ATOM 373 C PRO A 23 11.159 1.585 -10.712 1.00 0.00 C ATOM 374 O PRO A 23 11.743 2.252 -11.566 1.00 0.00 O ATOM 375 CB PRO A 23 12.459 1.166 -8.592 1.00 0.00 C ATOM 376 CG PRO A 23 11.843 0.046 -7.821 1.00 0.00 C ATOM 377 CD PRO A 23 10.490 0.531 -7.392 1.00 0.00 C ATOM 0 HA PRO A 23 11.392 3.004 -9.178 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.141 0.790 -9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.039 1.819 -7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.759 -0.850 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.455 -0.216 -6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.779 -0.290 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.529 1.035 -6.426 1.00 0.00 H new ATOM 385 N SER A 24 10.385 0.551 -11.005 1.00 0.00 N ATOM 386 CA SER A 24 10.159 0.125 -12.371 1.00 0.00 C ATOM 387 C SER A 24 9.069 0.972 -13.039 1.00 0.00 C ATOM 388 O SER A 24 9.291 1.563 -14.096 1.00 0.00 O ATOM 389 CB SER A 24 9.760 -1.350 -12.385 1.00 0.00 C ATOM 390 OG SER A 24 10.669 -2.128 -11.622 1.00 0.00 O ATOM 0 H SER A 24 9.900 -0.011 -10.305 1.00 0.00 H new ATOM 0 HA SER A 24 11.082 0.260 -12.935 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.753 -1.462 -11.983 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.736 -1.715 -13.412 1.00 0.00 H new ATOM 0 HG SER A 24 10.393 -3.068 -11.644 1.00 0.00 H new ATOM 396 N LYS A 25 7.896 1.040 -12.414 1.00 0.00 N ATOM 397 CA LYS A 25 6.766 1.755 -12.993 1.00 0.00 C ATOM 398 C LYS A 25 5.809 2.249 -11.912 1.00 0.00 C ATOM 399 O LYS A 25 5.937 1.894 -10.740 1.00 0.00 O ATOM 400 CB LYS A 25 6.015 0.847 -13.968 1.00 0.00 C ATOM 401 CG LYS A 25 5.516 -0.438 -13.333 1.00 0.00 C ATOM 402 CD LYS A 25 4.877 -1.356 -14.356 1.00 0.00 C ATOM 403 CE LYS A 25 4.580 -2.721 -13.767 1.00 0.00 C ATOM 404 NZ LYS A 25 3.602 -2.650 -12.653 1.00 0.00 N ATOM 0 H LYS A 25 7.705 0.609 -11.509 1.00 0.00 H new ATOM 0 HA LYS A 25 7.156 2.622 -13.527 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.167 1.393 -14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.672 0.600 -14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.347 -0.953 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.792 -0.202 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.954 -0.908 -14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.541 -1.465 -15.214 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.192 -3.375 -14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.506 -3.169 -13.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.250 -3.605 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.065 -2.254 -11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.805 -2.041 -12.929 1.00 0.00 H new ATOM 418 N GLN A 26 4.842 3.048 -12.327 1.00 0.00 N ATOM 419 CA GLN A 26 3.837 3.591 -11.427 1.00 0.00 C ATOM 420 C GLN A 26 2.448 3.163 -11.879 1.00 0.00 C ATOM 421 O GLN A 26 2.163 3.144 -13.074 1.00 0.00 O ATOM 422 CB GLN A 26 3.922 5.121 -11.392 1.00 0.00 C ATOM 423 CG GLN A 26 2.780 5.778 -10.632 1.00 0.00 C ATOM 424 CD GLN A 26 2.806 7.289 -10.719 1.00 0.00 C ATOM 425 OE1 GLN A 26 2.240 7.881 -11.639 1.00 0.00 O ATOM 426 NE2 GLN A 26 3.449 7.925 -9.757 1.00 0.00 N ATOM 0 H GLN A 26 4.730 3.340 -13.298 1.00 0.00 H new ATOM 0 HA GLN A 26 4.023 3.205 -10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.867 5.413 -10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.932 5.499 -12.414 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.831 5.413 -11.025 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.827 5.479 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.905 7.397 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.490 8.944 -9.758 1.00 0.00 H new ATOM 435 N PHE A 27 1.594 2.812 -10.927 1.00 0.00 N ATOM 436 CA PHE A 27 0.229 2.411 -11.231 1.00 0.00 C ATOM 437 C PHE A 27 -0.684 2.691 -10.046 1.00 0.00 C ATOM 438 O PHE A 27 -0.213 2.898 -8.927 1.00 0.00 O ATOM 439 CB PHE A 27 0.177 0.926 -11.614 1.00 0.00 C ATOM 440 CG PHE A 27 0.747 -0.004 -10.573 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.115 -0.214 -10.483 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.087 -0.669 -9.689 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.637 -1.067 -9.533 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.431 -1.525 -8.737 1.00 0.00 C ATOM 445 CZ PHE A 27 1.794 -1.723 -8.658 1.00 0.00 C ATOM 0 H PHE A 27 1.825 2.797 -9.934 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.122 2.996 -12.081 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.860 0.648 -11.804 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.721 0.784 -12.548 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.779 0.296 -11.165 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.155 -0.516 -9.745 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.704 -1.222 -9.474 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.230 -2.039 -8.055 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.201 -2.390 -7.913 1.00 0.00 H new ATOM 455 N THR A 28 -1.982 2.705 -10.294 1.00 0.00 N ATOM 456 CA THR A 28 -2.955 2.950 -9.245 1.00 0.00 C ATOM 457 C THR A 28 -3.667 1.652 -8.881 1.00 0.00 C ATOM 458 O THR A 28 -3.934 0.818 -9.751 1.00 0.00 O ATOM 459 CB THR A 28 -3.993 3.989 -9.700 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.352 4.995 -10.499 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.672 4.651 -8.512 1.00 0.00 C ATOM 0 H THR A 28 -2.387 2.549 -11.217 1.00 0.00 H new ATOM 0 HA THR A 28 -2.427 3.335 -8.373 1.00 0.00 H new ATOM 0 HB THR A 28 -4.752 3.471 -10.286 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.016 5.655 -10.789 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.400 5.380 -8.869 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.180 3.894 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.924 5.155 -7.900 1.00 0.00 H new ATOM 469 N VAL A 29 -3.955 1.476 -7.602 1.00 0.00 N ATOM 470 CA VAL A 29 -4.650 0.282 -7.130 1.00 0.00 C ATOM 471 C VAL A 29 -5.859 0.673 -6.287 1.00 0.00 C ATOM 472 O VAL A 29 -5.799 1.635 -5.515 1.00 0.00 O ATOM 473 CB VAL A 29 -3.721 -0.626 -6.287 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.430 -1.907 -5.874 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.450 -0.951 -7.051 1.00 0.00 C ATOM 0 H VAL A 29 -3.719 2.144 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.972 -0.273 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.455 -0.079 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.752 -2.524 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.309 -1.661 -5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.738 -2.456 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.812 -1.590 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.704 -1.469 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.921 -0.028 -7.286 1.00 0.00 H new ATOM 485 N GLU A 30 -6.957 -0.051 -6.447 1.00 0.00 N ATOM 486 CA GLU A 30 -8.128 0.178 -5.619 1.00 0.00 C ATOM 487 C GLU A 30 -8.041 -0.632 -4.342 1.00 0.00 C ATOM 488 O GLU A 30 -7.958 -1.865 -4.362 1.00 0.00 O ATOM 489 CB GLU A 30 -9.415 -0.164 -6.355 1.00 0.00 C ATOM 490 CG GLU A 30 -9.628 0.665 -7.598 1.00 0.00 C ATOM 491 CD GLU A 30 -10.973 0.419 -8.244 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.213 -0.706 -8.725 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.803 1.353 -8.262 1.00 0.00 O ATOM 0 H GLU A 30 -7.060 -0.795 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.149 1.240 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.400 -1.219 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.260 -0.021 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.540 1.721 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.839 0.443 -8.317 1.00 0.00 H new ATOM 500 N VAL A 31 -8.043 0.073 -3.239 1.00 0.00 N ATOM 501 CA VAL A 31 -8.013 -0.547 -1.927 1.00 0.00 C ATOM 502 C VAL A 31 -9.069 0.091 -1.043 1.00 0.00 C ATOM 503 O VAL A 31 -9.382 1.270 -1.196 1.00 0.00 O ATOM 504 CB VAL A 31 -6.620 -0.423 -1.262 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.564 -1.145 -2.087 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.239 1.036 -1.074 1.00 0.00 C ATOM 0 H VAL A 31 -8.065 1.093 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.223 -1.609 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.672 -0.893 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.593 -1.046 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.823 -2.201 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.519 -0.706 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.257 1.098 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.210 1.532 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.976 1.526 -0.438 1.00 0.00 H new ATOM 516 N ASP A 32 -9.644 -0.685 -0.148 1.00 0.00 N ATOM 517 CA ASP A 32 -10.659 -0.159 0.752 1.00 0.00 C ATOM 518 C ASP A 32 -9.998 0.789 1.751 1.00 0.00 C ATOM 519 O ASP A 32 -8.802 0.681 2.004 1.00 0.00 O ATOM 520 CB ASP A 32 -11.366 -1.303 1.482 1.00 0.00 C ATOM 521 CG ASP A 32 -12.634 -0.852 2.173 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.542 -0.255 3.264 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.725 -1.096 1.625 1.00 0.00 O ATOM 0 H ASP A 32 -9.431 -1.674 -0.022 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.407 0.388 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.605 -2.092 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.688 -1.734 2.219 1.00 0.00 H new ATOM 528 N ARG A 33 -10.743 1.724 2.314 1.00 0.00 N ATOM 529 CA ARG A 33 -10.144 2.649 3.262 1.00 0.00 C ATOM 530 C ARG A 33 -9.932 1.958 4.607 1.00 0.00 C ATOM 531 O ARG A 33 -9.126 2.400 5.428 1.00 0.00 O ATOM 532 CB ARG A 33 -10.979 3.921 3.420 1.00 0.00 C ATOM 533 CG ARG A 33 -10.160 5.086 3.950 1.00 0.00 C ATOM 534 CD ARG A 33 -10.909 6.404 3.868 1.00 0.00 C ATOM 535 NE ARG A 33 -10.015 7.537 4.105 1.00 0.00 N ATOM 536 CZ ARG A 33 -10.410 8.809 4.143 1.00 0.00 C ATOM 537 NH1 ARG A 33 -11.690 9.122 3.953 1.00 0.00 N ATOM 538 NH2 ARG A 33 -9.518 9.767 4.365 1.00 0.00 N ATOM 0 H ARG A 33 -11.738 1.863 2.138 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.174 2.954 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.411 4.192 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.810 3.726 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.885 4.891 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.232 5.162 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.371 6.502 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.715 6.414 4.602 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.025 7.341 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.374 8.386 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.986 10.098 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.537 9.527 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.814 10.743 4.395 1.00 0.00 H new ATOM 552 N THR A 34 -10.647 0.859 4.817 1.00 0.00 N ATOM 553 CA THR A 34 -10.437 0.031 5.993 1.00 0.00 C ATOM 554 C THR A 34 -9.594 -1.187 5.631 1.00 0.00 C ATOM 555 O THR A 34 -9.510 -2.148 6.391 1.00 0.00 O ATOM 556 CB THR A 34 -11.763 -0.419 6.642 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.614 -1.068 5.682 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.486 0.769 7.253 1.00 0.00 C ATOM 0 H THR A 34 -11.376 0.523 4.188 1.00 0.00 H new ATOM 0 HA THR A 34 -9.909 0.641 6.726 1.00 0.00 H new ATOM 0 HB THR A 34 -11.523 -1.133 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.787 -0.459 4.934 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.419 0.433 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.856 1.225 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.703 1.502 6.476 1.00 0.00 H new ATOM 566 N GLU A 35 -8.977 -1.131 4.453 1.00 0.00 N ATOM 567 CA GLU A 35 -8.059 -2.171 4.007 1.00 0.00 C ATOM 568 C GLU A 35 -6.901 -2.274 4.991 1.00 0.00 C ATOM 569 O GLU A 35 -6.349 -1.255 5.407 1.00 0.00 O ATOM 570 CB GLU A 35 -7.512 -1.817 2.621 1.00 0.00 C ATOM 571 CG GLU A 35 -6.903 -2.978 1.857 1.00 0.00 C ATOM 572 CD GLU A 35 -7.939 -3.785 1.104 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.426 -3.305 0.053 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.260 -4.907 1.539 1.00 0.00 O ATOM 0 H GLU A 35 -9.099 -0.369 3.787 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.588 -3.123 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.320 -1.393 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.757 -1.039 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.163 -2.597 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.375 -3.630 2.553 1.00 0.00 H new ATOM 581 N THR A 36 -6.548 -3.483 5.384 1.00 0.00 N ATOM 582 CA THR A 36 -5.399 -3.682 6.251 1.00 0.00 C ATOM 583 C THR A 36 -4.106 -3.445 5.481 1.00 0.00 C ATOM 584 O THR A 36 -4.065 -3.626 4.260 1.00 0.00 O ATOM 585 CB THR A 36 -5.390 -5.100 6.852 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.768 -6.053 5.850 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.340 -5.193 8.035 1.00 0.00 C ATOM 0 H THR A 36 -7.036 -4.339 5.119 1.00 0.00 H new ATOM 0 HA THR A 36 -5.472 -2.962 7.066 1.00 0.00 H new ATOM 0 HB THR A 36 -4.382 -5.320 7.203 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.759 -6.954 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.316 -6.204 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.033 -4.484 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.353 -4.958 7.708 1.00 0.00 H new ATOM 595 N VAL A 37 -3.054 -3.044 6.187 1.00 0.00 N ATOM 596 CA VAL A 37 -1.761 -2.812 5.561 1.00 0.00 C ATOM 597 C VAL A 37 -1.264 -4.110 4.934 1.00 0.00 C ATOM 598 O VAL A 37 -0.583 -4.113 3.905 1.00 0.00 O ATOM 599 CB VAL A 37 -0.727 -2.303 6.579 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.581 -1.956 5.891 1.00 0.00 C ATOM 601 CG2 VAL A 37 -1.270 -1.102 7.331 1.00 0.00 C ATOM 0 H VAL A 37 -3.073 -2.873 7.192 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.885 -2.047 4.794 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.532 -3.100 7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.297 -1.598 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.980 -2.843 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.406 -1.177 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.526 -0.754 8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.496 -0.302 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.179 -1.385 7.861 1.00 0.00 H new ATOM 611 N SER A 38 -1.650 -5.213 5.562 1.00 0.00 N ATOM 612 CA SER A 38 -1.324 -6.542 5.082 1.00 0.00 C ATOM 613 C SER A 38 -1.919 -6.773 3.694 1.00 0.00 C ATOM 614 O SER A 38 -1.273 -7.347 2.821 1.00 0.00 O ATOM 615 CB SER A 38 -1.868 -7.590 6.057 1.00 0.00 C ATOM 616 OG SER A 38 -1.201 -8.831 5.903 1.00 0.00 O ATOM 0 H SER A 38 -2.200 -5.207 6.421 1.00 0.00 H new ATOM 0 HA SER A 38 -0.240 -6.632 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.748 -7.235 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.937 -7.726 5.890 1.00 0.00 H new ATOM 0 HG SER A 38 -0.429 -8.864 6.506 1.00 0.00 H new ATOM 622 N SER A 39 -3.143 -6.296 3.491 1.00 0.00 N ATOM 623 CA SER A 39 -3.855 -6.527 2.246 1.00 0.00 C ATOM 624 C SER A 39 -3.372 -5.568 1.172 1.00 0.00 C ATOM 625 O SER A 39 -3.470 -5.854 -0.024 1.00 0.00 O ATOM 626 CB SER A 39 -5.358 -6.380 2.465 1.00 0.00 C ATOM 627 OG SER A 39 -5.814 -7.310 3.432 1.00 0.00 O ATOM 0 H SER A 39 -3.661 -5.746 4.177 1.00 0.00 H new ATOM 0 HA SER A 39 -3.652 -7.544 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.586 -5.366 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.885 -6.537 1.524 1.00 0.00 H new ATOM 0 HG SER A 39 -5.824 -6.885 4.315 1.00 0.00 H new ATOM 633 N LEU A 40 -2.851 -4.428 1.607 1.00 0.00 N ATOM 634 CA LEU A 40 -2.233 -3.484 0.697 1.00 0.00 C ATOM 635 C LEU A 40 -1.056 -4.164 0.006 1.00 0.00 C ATOM 636 O LEU A 40 -0.966 -4.190 -1.220 1.00 0.00 O ATOM 637 CB LEU A 40 -1.753 -2.246 1.458 1.00 0.00 C ATOM 638 CG LEU A 40 -1.470 -1.028 0.585 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.749 -0.572 -0.084 1.00 0.00 C ATOM 640 CD2 LEU A 40 -0.868 0.100 1.410 1.00 0.00 C ATOM 0 H LEU A 40 -2.846 -4.138 2.585 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.963 -3.165 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.506 -1.977 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.846 -2.502 2.005 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.747 -1.306 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.543 0.298 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.142 -1.377 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.484 -0.308 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.674 0.958 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.565 0.387 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.067 -0.236 1.858 1.00 0.00 H new ATOM 652 N LYS A 41 -0.177 -4.746 0.817 1.00 0.00 N ATOM 653 CA LYS A 41 0.972 -5.497 0.321 1.00 0.00 C ATOM 654 C LYS A 41 0.513 -6.725 -0.456 1.00 0.00 C ATOM 655 O LYS A 41 1.088 -7.077 -1.484 1.00 0.00 O ATOM 656 CB LYS A 41 1.839 -5.954 1.494 1.00 0.00 C ATOM 657 CG LYS A 41 2.342 -4.826 2.373 1.00 0.00 C ATOM 658 CD LYS A 41 2.847 -5.359 3.706 1.00 0.00 C ATOM 659 CE LYS A 41 3.257 -4.237 4.643 1.00 0.00 C ATOM 660 NZ LYS A 41 3.522 -4.735 6.021 1.00 0.00 N ATOM 0 H LYS A 41 -0.241 -4.710 1.834 1.00 0.00 H new ATOM 0 HA LYS A 41 1.547 -4.846 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.264 -6.648 2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.695 -6.506 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.144 -4.292 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.540 -4.108 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.068 -5.959 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.698 -6.019 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.151 -3.748 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.470 -3.484 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.699 -3.929 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.697 -5.268 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.355 -5.357 6.011 1.00 0.00 H new ATOM 674 N ASP A 42 -0.530 -7.367 0.061 1.00 0.00 N ATOM 675 CA ASP A 42 -1.059 -8.603 -0.509 1.00 0.00 C ATOM 676 C ASP A 42 -1.440 -8.421 -1.974 1.00 0.00 C ATOM 677 O ASP A 42 -1.020 -9.195 -2.835 1.00 0.00 O ATOM 678 CB ASP A 42 -2.275 -9.062 0.298 1.00 0.00 C ATOM 679 CG ASP A 42 -2.771 -10.435 -0.103 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.294 -11.434 0.483 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.650 -10.526 -0.983 1.00 0.00 O ATOM 0 H ASP A 42 -1.033 -7.045 0.888 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.280 -9.363 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.018 -9.070 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.081 -8.340 0.171 1.00 0.00 H new ATOM 686 N LYS A 43 -2.216 -7.384 -2.260 1.00 0.00 N ATOM 687 CA LYS A 43 -2.671 -7.137 -3.618 1.00 0.00 C ATOM 688 C LYS A 43 -1.537 -6.649 -4.517 1.00 0.00 C ATOM 689 O LYS A 43 -1.520 -6.954 -5.709 1.00 0.00 O ATOM 690 CB LYS A 43 -3.843 -6.158 -3.626 1.00 0.00 C ATOM 691 CG LYS A 43 -5.147 -6.799 -3.173 1.00 0.00 C ATOM 692 CD LYS A 43 -6.335 -5.862 -3.337 1.00 0.00 C ATOM 693 CE LYS A 43 -6.390 -4.808 -2.244 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.587 -3.934 -2.384 1.00 0.00 N ATOM 0 H LYS A 43 -2.541 -6.704 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.017 -8.086 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.612 -5.315 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.970 -5.758 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.322 -7.709 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.061 -7.094 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.278 -5.372 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.258 -6.442 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.407 -5.295 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.487 -4.198 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.764 -3.441 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.420 -3.235 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.414 -4.515 -2.629 1.00 0.00 H new ATOM 708 N ILE A 44 -0.591 -5.899 -3.957 1.00 0.00 N ATOM 709 CA ILE A 44 0.607 -5.519 -4.699 1.00 0.00 C ATOM 710 C ILE A 44 1.413 -6.761 -5.073 1.00 0.00 C ATOM 711 O ILE A 44 1.982 -6.828 -6.149 1.00 0.00 O ATOM 712 CB ILE A 44 1.486 -4.537 -3.895 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.709 -3.248 -3.613 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.773 -4.230 -4.645 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.469 -2.249 -2.768 1.00 0.00 C ATOM 0 H ILE A 44 -0.630 -5.545 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 44 0.286 -5.011 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 44 1.750 -5.003 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.443 -2.780 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.224 -3.500 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.378 -3.536 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.331 -5.153 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.534 -3.780 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.854 -1.363 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.712 -2.697 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.390 -1.966 -3.279 1.00 0.00 H new ATOM 727 N HIS A 45 1.427 -7.753 -4.193 1.00 0.00 N ATOM 728 CA HIS A 45 2.111 -9.012 -4.473 1.00 0.00 C ATOM 729 C HIS A 45 1.394 -9.801 -5.573 1.00 0.00 C ATOM 730 O HIS A 45 2.009 -10.589 -6.287 1.00 0.00 O ATOM 731 CB HIS A 45 2.227 -9.858 -3.205 1.00 0.00 C ATOM 732 CG HIS A 45 2.975 -11.138 -3.415 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.315 -11.182 -3.737 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.561 -12.425 -3.359 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.690 -12.441 -3.868 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.646 -13.217 -3.643 1.00 0.00 N ATOM 0 H HIS A 45 0.974 -7.712 -3.280 1.00 0.00 H new ATOM 0 HA HIS A 45 3.114 -8.772 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.728 -9.275 -2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.227 -10.086 -2.835 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.921 -10.370 -3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.562 -12.766 -3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.685 -12.780 -4.118 1.00 0.00 H new ATOM 745 N ILE A 46 0.089 -9.618 -5.676 1.00 0.00 N ATOM 746 CA ILE A 46 -0.688 -10.286 -6.712 1.00 0.00 C ATOM 747 C ILE A 46 -0.456 -9.621 -8.069 1.00 0.00 C ATOM 748 O ILE A 46 -0.318 -10.298 -9.087 1.00 0.00 O ATOM 749 CB ILE A 46 -2.192 -10.281 -6.366 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.412 -10.994 -5.030 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.001 -10.951 -7.469 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.814 -10.858 -4.487 1.00 0.00 C ATOM 0 H ILE A 46 -0.455 -9.015 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.353 -11.322 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.532 -9.249 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.181 -12.052 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.709 -10.597 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.058 -10.937 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.854 -10.414 -8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.671 -11.983 -7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.890 -11.390 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.043 -9.804 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.523 -11.282 -5.199 1.00 0.00 H new ATOM 764 N VAL A 47 -0.394 -8.296 -8.070 1.00 0.00 N ATOM 765 CA VAL A 47 -0.153 -7.537 -9.292 1.00 0.00 C ATOM 766 C VAL A 47 1.326 -7.581 -9.676 1.00 0.00 C ATOM 767 O VAL A 47 1.682 -7.916 -10.806 1.00 0.00 O ATOM 768 CB VAL A 47 -0.592 -6.065 -9.130 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.208 -5.244 -10.351 1.00 0.00 C ATOM 770 CG2 VAL A 47 -2.088 -5.979 -8.872 1.00 0.00 C ATOM 0 H VAL A 47 -0.508 -7.722 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.745 -7.999 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.070 -5.649 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.529 -4.212 -10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.874 -5.273 -10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.693 -5.658 -11.235 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.379 -4.934 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.628 -6.418 -9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.332 -6.523 -7.959 1.00 0.00 H new ATOM 780 N GLU A 48 2.169 -7.256 -8.717 1.00 0.00 N ATOM 781 CA GLU A 48 3.604 -7.180 -8.919 1.00 0.00 C ATOM 782 C GLU A 48 4.279 -8.435 -8.373 1.00 0.00 C ATOM 783 O GLU A 48 3.817 -9.013 -7.397 1.00 0.00 O ATOM 784 CB GLU A 48 4.132 -5.932 -8.215 1.00 0.00 C ATOM 785 CG GLU A 48 3.613 -4.634 -8.810 1.00 0.00 C ATOM 786 CD GLU A 48 3.999 -4.454 -10.263 1.00 0.00 C ATOM 787 OE1 GLU A 48 5.102 -3.937 -10.532 1.00 0.00 O ATOM 788 OE2 GLU A 48 3.200 -4.819 -11.151 1.00 0.00 O ATOM 0 H GLU A 48 1.875 -7.035 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 48 3.827 -7.116 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.856 -5.975 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.221 -5.933 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.527 -4.609 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.999 -3.795 -8.231 1.00 0.00 H new ATOM 795 N ASN A 49 5.379 -8.850 -8.986 1.00 0.00 N ATOM 796 CA ASN A 49 6.017 -10.115 -8.620 1.00 0.00 C ATOM 797 C ASN A 49 7.006 -9.931 -7.471 1.00 0.00 C ATOM 798 O ASN A 49 7.799 -10.824 -7.168 1.00 0.00 O ATOM 799 CB ASN A 49 6.720 -10.744 -9.835 1.00 0.00 C ATOM 800 CG ASN A 49 7.950 -9.978 -10.290 1.00 0.00 C ATOM 801 OD1 ASN A 49 7.851 -9.022 -11.057 1.00 0.00 O ATOM 802 ND2 ASN A 49 9.119 -10.417 -9.851 1.00 0.00 N ATOM 0 H ASN A 49 5.848 -8.337 -9.733 1.00 0.00 H new ATOM 0 HA ASN A 49 5.232 -10.791 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.009 -11.766 -9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.013 -10.804 -10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.980 -9.959 -10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.159 -11.214 -9.215 1.00 0.00 H new ATOM 809 N THR A 50 6.939 -8.783 -6.819 1.00 0.00 N ATOM 810 CA THR A 50 7.835 -8.468 -5.728 1.00 0.00 C ATOM 811 C THR A 50 7.371 -9.127 -4.427 1.00 0.00 C ATOM 812 O THR A 50 6.197 -9.045 -4.055 1.00 0.00 O ATOM 813 CB THR A 50 7.930 -6.945 -5.535 1.00 0.00 C ATOM 814 OG1 THR A 50 8.091 -6.314 -6.812 1.00 0.00 O ATOM 815 CG2 THR A 50 9.106 -6.581 -4.641 1.00 0.00 C ATOM 0 H THR A 50 6.264 -8.048 -7.032 1.00 0.00 H new ATOM 0 HA THR A 50 8.820 -8.859 -5.981 1.00 0.00 H new ATOM 0 HB THR A 50 7.013 -6.599 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.721 -5.407 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.150 -5.499 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.980 -7.050 -3.665 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.032 -6.934 -5.096 1.00 0.00 H new ATOM 823 N PRO A 51 8.286 -9.839 -3.752 1.00 0.00 N ATOM 824 CA PRO A 51 8.037 -10.401 -2.424 1.00 0.00 C ATOM 825 C PRO A 51 7.654 -9.327 -1.410 1.00 0.00 C ATOM 826 O PRO A 51 8.290 -8.271 -1.339 1.00 0.00 O ATOM 827 CB PRO A 51 9.373 -11.029 -2.031 1.00 0.00 C ATOM 828 CG PRO A 51 10.112 -11.231 -3.312 1.00 0.00 C ATOM 829 CD PRO A 51 9.623 -10.174 -4.262 1.00 0.00 C ATOM 0 HA PRO A 51 7.208 -11.108 -2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.929 -10.378 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.224 -11.975 -1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.187 -11.144 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.927 -12.228 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.280 -9.304 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.580 -10.545 -5.286 1.00 0.00 H new ATOM 837 N ILE A 52 6.632 -9.618 -0.614 1.00 0.00 N ATOM 838 CA ILE A 52 6.100 -8.663 0.353 1.00 0.00 C ATOM 839 C ILE A 52 7.145 -8.254 1.392 1.00 0.00 C ATOM 840 O ILE A 52 7.209 -7.095 1.791 1.00 0.00 O ATOM 841 CB ILE A 52 4.850 -9.235 1.063 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.715 -9.417 0.051 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.409 -8.331 2.207 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.426 -9.924 0.661 1.00 0.00 C ATOM 0 H ILE A 52 6.150 -10.517 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 52 5.817 -7.772 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 52 5.106 -10.206 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.523 -8.463 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.039 -10.114 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.529 -8.757 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.216 -8.246 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.167 -7.342 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.671 -10.027 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.601 -10.894 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.077 -9.217 1.414 1.00 0.00 H new ATOM 856 N LYS A 53 7.980 -9.199 1.804 1.00 0.00 N ATOM 857 CA LYS A 53 8.985 -8.933 2.829 1.00 0.00 C ATOM 858 C LYS A 53 10.088 -8.000 2.336 1.00 0.00 C ATOM 859 O LYS A 53 10.853 -7.463 3.134 1.00 0.00 O ATOM 860 CB LYS A 53 9.605 -10.234 3.320 1.00 0.00 C ATOM 861 CG LYS A 53 8.690 -11.019 4.236 1.00 0.00 C ATOM 862 CD LYS A 53 9.428 -12.156 4.912 1.00 0.00 C ATOM 863 CE LYS A 53 10.628 -11.658 5.704 1.00 0.00 C ATOM 864 NZ LYS A 53 10.244 -10.667 6.744 1.00 0.00 N ATOM 0 H LYS A 53 7.983 -10.154 1.446 1.00 0.00 H new ATOM 0 HA LYS A 53 8.469 -8.436 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.867 -10.852 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.533 -10.011 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.272 -10.354 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.853 -11.417 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.747 -12.686 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.760 -12.872 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.125 -12.505 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.348 -11.206 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.071 -10.445 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.902 -9.798 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.490 -11.064 7.340 1.00 0.00 H new ATOM 878 N ARG A 54 10.172 -7.805 1.029 1.00 0.00 N ATOM 879 CA ARG A 54 11.259 -7.023 0.456 1.00 0.00 C ATOM 880 C ARG A 54 10.787 -5.663 -0.039 1.00 0.00 C ATOM 881 O ARG A 54 11.557 -4.699 -0.046 1.00 0.00 O ATOM 882 CB ARG A 54 11.917 -7.800 -0.677 1.00 0.00 C ATOM 883 CG ARG A 54 12.751 -8.969 -0.188 1.00 0.00 C ATOM 884 CD ARG A 54 13.269 -9.801 -1.343 1.00 0.00 C ATOM 885 NE ARG A 54 14.313 -10.737 -0.922 1.00 0.00 N ATOM 886 CZ ARG A 54 14.458 -11.969 -1.409 1.00 0.00 C ATOM 887 NH1 ARG A 54 13.619 -12.428 -2.328 1.00 0.00 N ATOM 888 NH2 ARG A 54 15.441 -12.743 -0.964 1.00 0.00 N ATOM 0 H ARG A 54 9.507 -8.174 0.349 1.00 0.00 H new ATOM 0 HA ARG A 54 11.989 -6.843 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.146 -8.169 -1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.550 -7.125 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.590 -8.598 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.151 -9.595 0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.443 -10.356 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.664 -9.142 -2.116 1.00 0.00 H new ATOM 0 HE ARG A 54 14.973 -10.426 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.859 -11.837 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.734 -13.372 -2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.082 -12.394 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.555 -13.686 -1.335 1.00 0.00 H new ATOM 902 N MET A 55 9.543 -5.587 -0.476 1.00 0.00 N ATOM 903 CA MET A 55 8.968 -4.315 -0.894 1.00 0.00 C ATOM 904 C MET A 55 8.345 -3.588 0.297 1.00 0.00 C ATOM 905 O MET A 55 7.376 -4.055 0.895 1.00 0.00 O ATOM 906 CB MET A 55 7.937 -4.516 -2.016 1.00 0.00 C ATOM 907 CG MET A 55 6.764 -5.408 -1.642 1.00 0.00 C ATOM 908 SD MET A 55 5.653 -5.704 -3.030 1.00 0.00 S ATOM 909 CE MET A 55 4.371 -6.666 -2.236 1.00 0.00 C ATOM 0 H MET A 55 8.912 -6.385 -0.552 1.00 0.00 H new ATOM 0 HA MET A 55 9.772 -3.694 -1.289 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.554 -3.542 -2.319 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.441 -4.944 -2.883 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.140 -6.362 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.207 -4.947 -0.826 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.438 -6.556 -2.789 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.662 -7.716 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.231 -6.312 -1.215 1.00 0.00 H new ATOM 919 N GLN A 56 8.924 -2.451 0.651 1.00 0.00 N ATOM 920 CA GLN A 56 8.455 -1.689 1.798 1.00 0.00 C ATOM 921 C GLN A 56 7.637 -0.484 1.341 1.00 0.00 C ATOM 922 O GLN A 56 8.032 0.240 0.426 1.00 0.00 O ATOM 923 CB GLN A 56 9.639 -1.238 2.659 1.00 0.00 C ATOM 924 CG GLN A 56 9.231 -0.680 4.013 1.00 0.00 C ATOM 925 CD GLN A 56 8.392 -1.656 4.815 1.00 0.00 C ATOM 926 OE1 GLN A 56 7.164 -1.662 4.722 1.00 0.00 O ATOM 927 NE2 GLN A 56 9.047 -2.488 5.607 1.00 0.00 N ATOM 0 H GLN A 56 9.717 -2.036 0.162 1.00 0.00 H new ATOM 0 HA GLN A 56 7.813 -2.331 2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.309 -2.084 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.202 -0.478 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.125 -0.423 4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.669 0.243 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.065 -2.451 5.655 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.534 -3.167 6.169 1.00 0.00 H new ATOM 936 N LEU A 57 6.500 -0.274 1.983 1.00 0.00 N ATOM 937 CA LEU A 57 5.593 0.798 1.601 1.00 0.00 C ATOM 938 C LEU A 57 5.869 2.043 2.440 1.00 0.00 C ATOM 939 O LEU A 57 5.911 1.967 3.667 1.00 0.00 O ATOM 940 CB LEU A 57 4.142 0.361 1.813 1.00 0.00 C ATOM 941 CG LEU A 57 3.784 -1.039 1.310 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.381 -1.411 1.760 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.889 -1.122 -0.205 1.00 0.00 C ATOM 0 H LEU A 57 6.181 -0.833 2.774 1.00 0.00 H new ATOM 0 HA LEU A 57 5.753 1.027 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.920 0.410 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.490 1.081 1.318 1.00 0.00 H new ATOM 0 HG LEU A 57 4.496 -1.746 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.135 -2.409 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.333 -1.399 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.667 -0.692 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.629 -2.128 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.204 -0.405 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.909 -0.893 -0.512 1.00 0.00 H new ATOM 955 N TYR A 58 6.054 3.179 1.785 1.00 0.00 N ATOM 956 CA TYR A 58 6.281 4.432 2.492 1.00 0.00 C ATOM 957 C TYR A 58 5.193 5.446 2.170 1.00 0.00 C ATOM 958 O TYR A 58 4.874 5.687 1.003 1.00 0.00 O ATOM 959 CB TYR A 58 7.659 5.011 2.150 1.00 0.00 C ATOM 960 CG TYR A 58 8.809 4.277 2.805 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.248 3.052 2.319 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.456 4.813 3.912 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.295 2.380 2.920 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.505 4.149 4.515 1.00 0.00 C ATOM 965 CZ TYR A 58 10.921 2.933 4.018 1.00 0.00 C ATOM 966 OH TYR A 58 11.958 2.260 4.628 1.00 0.00 O ATOM 0 H TYR A 58 6.052 3.260 0.768 1.00 0.00 H new ATOM 0 HA TYR A 58 6.249 4.219 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.794 4.988 1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.688 6.058 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.763 2.618 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.133 5.765 4.307 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.622 1.426 2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.998 4.581 5.373 1.00 0.00 H new ATOM 0 HH TYR A 58 11.711 2.048 5.552 1.00 0.00 H new ATOM 976 N TYR A 59 4.624 6.023 3.216 1.00 0.00 N ATOM 977 CA TYR A 59 3.580 7.023 3.078 1.00 0.00 C ATOM 978 C TYR A 59 3.967 8.282 3.844 1.00 0.00 C ATOM 979 O TYR A 59 4.194 8.228 5.055 1.00 0.00 O ATOM 980 CB TYR A 59 2.250 6.467 3.596 1.00 0.00 C ATOM 981 CG TYR A 59 1.088 7.426 3.473 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.697 7.920 2.236 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.369 7.821 4.594 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.376 8.780 2.118 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.703 8.686 4.485 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.074 9.160 3.244 1.00 0.00 C ATOM 987 OH TYR A 59 -2.148 10.012 3.128 1.00 0.00 O ATOM 0 H TYR A 59 4.873 5.811 4.182 1.00 0.00 H new ATOM 0 HA TYR A 59 3.462 7.277 2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.013 5.554 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.368 6.189 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.242 7.626 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.652 7.446 5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.667 9.154 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.248 8.989 5.367 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.530 10.179 4.015 1.00 0.00 H new ATOM 997 N SER A 60 4.063 9.399 3.127 1.00 0.00 N ATOM 998 CA SER A 60 4.469 10.677 3.705 1.00 0.00 C ATOM 999 C SER A 60 5.919 10.589 4.185 1.00 0.00 C ATOM 1000 O SER A 60 6.853 10.796 3.407 1.00 0.00 O ATOM 1001 CB SER A 60 3.535 11.090 4.859 1.00 0.00 C ATOM 1002 OG SER A 60 3.740 12.445 5.231 1.00 0.00 O ATOM 0 H SER A 60 3.861 9.443 2.128 1.00 0.00 H new ATOM 0 HA SER A 60 4.396 11.445 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.497 10.947 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.710 10.444 5.720 1.00 0.00 H new ATOM 0 HG SER A 60 3.133 12.679 5.964 1.00 0.00 H new ATOM 1008 N GLY A 61 6.104 10.250 5.453 1.00 0.00 N ATOM 1009 CA GLY A 61 7.431 10.022 5.982 1.00 0.00 C ATOM 1010 C GLY A 61 7.456 8.810 6.885 1.00 0.00 C ATOM 1011 O GLY A 61 8.355 8.648 7.708 1.00 0.00 O ATOM 0 H GLY A 61 5.350 10.128 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.134 9.882 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.760 10.900 6.538 1.00 0.00 H new ATOM 1015 N ILE A 62 6.454 7.958 6.728 1.00 0.00 N ATOM 1016 CA ILE A 62 6.301 6.780 7.566 1.00 0.00 C ATOM 1017 C ILE A 62 6.322 5.518 6.717 1.00 0.00 C ATOM 1018 O ILE A 62 5.642 5.446 5.693 1.00 0.00 O ATOM 1019 CB ILE A 62 4.965 6.819 8.336 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.807 8.146 9.073 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.875 5.658 9.319 1.00 0.00 C ATOM 1022 CD1 ILE A 62 3.403 8.393 9.575 1.00 0.00 C ATOM 0 H ILE A 62 5.728 8.063 6.020 1.00 0.00 H new ATOM 0 HA ILE A 62 7.131 6.773 8.272 1.00 0.00 H new ATOM 0 HB ILE A 62 4.155 6.724 7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.496 8.168 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.094 8.959 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.925 5.705 9.851 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.940 4.715 8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.695 5.722 10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.364 9.354 10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.712 8.404 8.732 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.119 7.600 10.267 1.00 0.00 H new ATOM 1034 N GLU A 63 7.103 4.534 7.129 1.00 0.00 N ATOM 1035 CA GLU A 63 7.047 3.227 6.499 1.00 0.00 C ATOM 1036 C GLU A 63 5.939 2.415 7.148 1.00 0.00 C ATOM 1037 O GLU A 63 5.759 2.456 8.368 1.00 0.00 O ATOM 1038 CB GLU A 63 8.390 2.493 6.593 1.00 0.00 C ATOM 1039 CG GLU A 63 8.922 2.355 8.006 1.00 0.00 C ATOM 1040 CD GLU A 63 10.253 1.630 8.065 1.00 0.00 C ATOM 1041 OE1 GLU A 63 11.126 1.889 7.205 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.441 0.809 8.989 1.00 0.00 O ATOM 0 H GLU A 63 7.777 4.614 7.890 1.00 0.00 H new ATOM 0 HA GLU A 63 6.834 3.357 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.280 1.499 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.126 3.025 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.034 3.346 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.193 1.817 8.613 1.00 0.00 H new ATOM 1049 N LEU A 64 5.190 1.696 6.335 1.00 0.00 N ATOM 1050 CA LEU A 64 4.031 0.965 6.817 1.00 0.00 C ATOM 1051 C LEU A 64 4.463 -0.365 7.422 1.00 0.00 C ATOM 1052 O LEU A 64 4.300 -1.432 6.823 1.00 0.00 O ATOM 1053 CB LEU A 64 3.027 0.769 5.677 1.00 0.00 C ATOM 1054 CG LEU A 64 2.625 2.061 4.956 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.645 1.772 3.836 1.00 0.00 C ATOM 1056 CD2 LEU A 64 2.029 3.058 5.937 1.00 0.00 C ATOM 0 H LEU A 64 5.363 1.601 5.334 1.00 0.00 H new ATOM 0 HA LEU A 64 3.539 1.540 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.453 0.079 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.130 0.297 6.077 1.00 0.00 H new ATOM 0 HG LEU A 64 3.523 2.498 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.375 2.704 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.106 1.097 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.749 1.307 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.750 3.968 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.145 2.625 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.765 3.297 6.705 1.00 0.00 H new ATOM 1068 N ALA A 65 5.053 -0.274 8.607 1.00 0.00 N ATOM 1069 CA ALA A 65 5.568 -1.434 9.310 1.00 0.00 C ATOM 1070 C ALA A 65 4.437 -2.256 9.911 1.00 0.00 C ATOM 1071 O ALA A 65 4.441 -3.484 9.816 1.00 0.00 O ATOM 1072 CB ALA A 65 6.551 -1.003 10.388 1.00 0.00 C ATOM 0 H ALA A 65 5.186 0.606 9.104 1.00 0.00 H new ATOM 0 HA ALA A 65 6.093 -2.064 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.930 -1.883 10.908 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.382 -0.467 9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.047 -0.350 11.100 1.00 0.00 H new ATOM 1078 N ASP A 66 3.474 -1.574 10.525 1.00 0.00 N ATOM 1079 CA ASP A 66 2.322 -2.242 11.124 1.00 0.00 C ATOM 1080 C ASP A 66 1.508 -2.936 10.047 1.00 0.00 C ATOM 1081 O ASP A 66 1.007 -2.301 9.127 1.00 0.00 O ATOM 1082 CB ASP A 66 1.426 -1.253 11.870 1.00 0.00 C ATOM 1083 CG ASP A 66 2.092 -0.612 13.069 1.00 0.00 C ATOM 1084 OD1 ASP A 66 2.751 0.436 12.894 1.00 0.00 O ATOM 1085 OD2 ASP A 66 1.931 -1.133 14.194 1.00 0.00 O ATOM 0 H ASP A 66 3.468 -0.559 10.621 1.00 0.00 H new ATOM 0 HA ASP A 66 2.699 -2.974 11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.110 -0.471 11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.525 -1.770 12.200 1.00 0.00 H new ATOM 1090 N ASP A 67 1.383 -4.240 10.169 1.00 0.00 N ATOM 1091 CA ASP A 67 0.728 -5.044 9.146 1.00 0.00 C ATOM 1092 C ASP A 67 -0.734 -5.289 9.499 1.00 0.00 C ATOM 1093 O ASP A 67 -1.583 -5.448 8.621 1.00 0.00 O ATOM 1094 CB ASP A 67 1.467 -6.376 9.025 1.00 0.00 C ATOM 1095 CG ASP A 67 1.206 -7.079 7.712 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.620 -6.546 6.658 1.00 0.00 O ATOM 1097 OD2 ASP A 67 0.601 -8.173 7.727 1.00 0.00 O ATOM 0 H ASP A 67 1.726 -4.773 10.968 1.00 0.00 H new ATOM 0 HA ASP A 67 0.757 -4.510 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.538 -6.202 9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.167 -7.028 9.846 1.00 0.00 H new ATOM 1102 N TYR A 68 -1.018 -5.285 10.790 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.338 -5.634 11.299 1.00 0.00 C ATOM 1104 C TYR A 68 -3.278 -4.429 11.328 1.00 0.00 C ATOM 1105 O TYR A 68 -4.449 -4.556 11.687 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.208 -6.211 12.711 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.525 -5.269 13.676 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -0.141 -5.189 13.733 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -2.264 -4.446 14.517 1.00 0.00 C ATOM 1110 CE1 TYR A 68 0.490 -4.320 14.597 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -1.641 -3.570 15.384 1.00 0.00 C ATOM 1112 CZ TYR A 68 -0.265 -3.512 15.421 1.00 0.00 C ATOM 1113 OH TYR A 68 0.359 -2.637 16.282 1.00 0.00 O ATOM 0 H TYR A 68 -0.344 -5.041 11.515 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.766 -6.376 10.625 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.201 -6.454 13.091 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.647 -7.144 12.665 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.453 -5.820 13.088 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.343 -4.492 14.492 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.568 -4.272 14.628 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.229 -2.934 16.029 1.00 0.00 H new ATOM 0 HH TYR A 68 0.943 -2.037 15.772 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.769 -3.257 10.977 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.579 -2.048 11.036 1.00 0.00 C ATOM 1125 C ARG A 69 -4.276 -1.801 9.713 1.00 0.00 C ATOM 1126 O ARG A 69 -3.966 -2.436 8.707 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.733 -0.825 11.392 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.971 -0.967 12.693 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.353 0.353 13.122 1.00 0.00 C ATOM 1130 NE ARG A 69 -2.293 1.184 13.869 1.00 0.00 N ATOM 1131 CZ ARG A 69 -2.026 1.711 15.061 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -0.837 1.510 15.627 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -2.943 2.435 15.684 1.00 0.00 N ATOM 0 H ARG A 69 -1.812 -3.117 10.652 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.324 -2.200 11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.024 -0.638 10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.382 0.048 11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.643 -1.326 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.188 -1.716 12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.474 0.158 13.737 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.011 0.896 12.241 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.206 1.371 13.454 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.131 0.952 15.146 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.632 1.914 16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.853 2.588 15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.739 2.839 16.598 1.00 0.00 H new ATOM 1147 N ASN A 70 -5.214 -0.874 9.725 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.934 -0.493 8.525 1.00 0.00 C ATOM 1149 C ASN A 70 -5.317 0.776 7.950 1.00 0.00 C ATOM 1150 O ASN A 70 -4.618 1.501 8.656 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.413 -0.264 8.849 1.00 0.00 C ATOM 1152 CG ASN A 70 -8.029 -1.417 9.619 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.956 -1.462 10.846 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.653 -2.349 8.917 1.00 0.00 N ATOM 0 H ASN A 70 -5.498 -0.366 10.563 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.862 -1.294 7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.516 0.652 9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.965 -0.116 7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.093 -3.137 9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.694 -2.280 7.900 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.572 1.043 6.677 1.00 0.00 N ATOM 1162 CA LEU A 71 -5.005 2.211 6.011 1.00 0.00 C ATOM 1163 C LEU A 71 -5.500 3.511 6.642 1.00 0.00 C ATOM 1164 O LEU A 71 -4.774 4.507 6.684 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.330 2.187 4.517 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.816 0.957 3.766 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.120 1.080 2.286 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.322 0.770 3.997 1.00 0.00 C ATOM 0 H LEU A 71 -6.168 0.467 6.083 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.923 2.170 6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.412 2.244 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.909 3.080 4.054 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.329 0.076 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.749 0.198 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.197 1.161 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.633 1.970 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.977 -0.110 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.786 1.649 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.132 0.637 5.062 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.730 3.495 7.147 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.308 4.672 7.795 1.00 0.00 C ATOM 1182 C ASN A 72 -6.507 5.065 9.037 1.00 0.00 C ATOM 1183 O ASN A 72 -6.479 6.235 9.413 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.789 4.450 8.156 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.012 3.323 9.148 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.202 2.169 8.766 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.005 3.652 10.429 1.00 0.00 N ATOM 0 H ASN A 72 -7.346 2.683 7.121 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.258 5.493 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.195 5.373 8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.348 4.236 7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.161 2.937 11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.844 4.620 10.706 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.855 4.085 9.662 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.033 4.329 10.848 1.00 0.00 C ATOM 1196 C GLU A 73 -3.916 5.325 10.558 1.00 0.00 C ATOM 1197 O GLU A 73 -3.527 6.103 11.426 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.426 3.019 11.353 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.425 2.110 12.046 1.00 0.00 C ATOM 1200 CD GLU A 73 -5.942 2.713 13.333 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -5.249 2.591 14.365 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -7.033 3.319 13.317 1.00 0.00 O ATOM 0 H GLU A 73 -5.880 3.110 9.365 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.682 4.752 11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.985 2.485 10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.615 3.248 12.045 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.262 1.914 11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.955 1.150 12.259 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.406 5.295 9.336 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.317 6.176 8.947 1.00 0.00 C ATOM 1211 C TYR A 74 -2.847 7.492 8.390 1.00 0.00 C ATOM 1212 O TYR A 74 -2.073 8.391 8.065 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.422 5.493 7.911 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.634 4.323 8.459 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.537 4.533 9.175 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.054 3.012 8.259 1.00 0.00 C ATOM 1217 CE1 TYR A 74 1.270 3.473 9.671 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.326 1.947 8.754 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.835 2.185 9.458 1.00 0.00 C ATOM 1220 OH TYR A 74 1.565 1.130 9.949 1.00 0.00 O ATOM 0 H TYR A 74 -3.729 4.670 8.597 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.728 6.393 9.838 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.040 5.146 7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.727 6.228 7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.880 5.542 9.347 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.964 2.824 7.708 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.180 3.654 10.223 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.664 0.935 8.590 1.00 0.00 H new ATOM 0 HH TYR A 74 1.968 1.382 10.806 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.169 7.602 8.294 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.780 8.796 7.741 1.00 0.00 C ATOM 1232 C GLY A 75 -4.627 8.864 6.237 1.00 0.00 C ATOM 1233 O GLY A 75 -4.533 9.949 5.661 1.00 0.00 O ATOM 0 H GLY A 75 -4.829 6.883 8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.839 8.815 7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.326 9.678 8.192 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.603 7.700 5.601 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.411 7.618 4.162 1.00 0.00 C ATOM 1239 C ILE A 76 -5.644 8.118 3.407 1.00 0.00 C ATOM 1240 O ILE A 76 -6.779 7.707 3.681 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.057 6.178 3.717 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.747 5.730 4.379 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.945 6.092 2.200 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -2.284 4.351 3.959 1.00 0.00 C ATOM 0 H ILE A 76 -4.715 6.797 6.063 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.570 8.266 3.915 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.858 5.511 4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.966 6.452 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.875 5.745 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.696 5.071 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.896 6.375 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.163 6.768 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.352 4.109 4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.045 3.616 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.121 4.334 2.881 1.00 0.00 H new ATOM 1256 N THR A 77 -5.403 9.031 2.478 1.00 0.00 N ATOM 1257 CA THR A 77 -6.452 9.597 1.647 1.00 0.00 C ATOM 1258 C THR A 77 -6.396 8.984 0.241 1.00 0.00 C ATOM 1259 O THR A 77 -5.602 8.076 -0.013 1.00 0.00 O ATOM 1260 CB THR A 77 -6.308 11.139 1.572 1.00 0.00 C ATOM 1261 OG1 THR A 77 -7.386 11.718 0.820 1.00 0.00 O ATOM 1262 CG2 THR A 77 -4.975 11.528 0.944 1.00 0.00 C ATOM 0 H THR A 77 -4.473 9.400 2.280 1.00 0.00 H new ATOM 0 HA THR A 77 -7.419 9.364 2.093 1.00 0.00 H new ATOM 0 HB THR A 77 -6.344 11.525 2.591 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.276 12.691 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 77 -4.896 12.614 0.902 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.159 11.128 1.546 1.00 0.00 H new ATOM 0 HG23 THR A 77 -4.915 11.120 -0.065 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.235 9.467 -0.667 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.255 8.953 -2.028 1.00 0.00 C ATOM 1272 C GLU A 78 -6.214 9.663 -2.883 1.00 0.00 C ATOM 1273 O GLU A 78 -5.933 10.846 -2.678 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.649 9.095 -2.642 1.00 0.00 C ATOM 1275 CG GLU A 78 -8.714 8.685 -4.105 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.128 8.474 -4.589 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.895 9.458 -4.657 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.473 7.323 -4.916 1.00 0.00 O ATOM 0 H GLU A 78 -7.908 10.212 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.006 7.892 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.352 8.488 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.974 10.131 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.236 9.452 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.145 7.766 -4.246 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.651 8.918 -3.833 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.581 9.398 -4.701 1.00 0.00 C ATOM 1287 C PHE A 79 -3.332 9.665 -3.873 1.00 0.00 C ATOM 1288 O PHE A 79 -2.475 10.476 -4.235 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.006 10.650 -5.481 1.00 0.00 C ATOM 1290 CG PHE A 79 -4.375 10.733 -6.843 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -4.948 10.077 -7.918 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -3.209 11.454 -7.047 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -4.372 10.136 -9.171 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -2.628 11.518 -8.299 1.00 0.00 C ATOM 1295 CZ PHE A 79 -3.210 10.858 -9.363 1.00 0.00 C ATOM 0 H PHE A 79 -5.929 7.955 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.360 8.625 -5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.091 10.655 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.738 11.537 -4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.857 9.512 -7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.749 11.972 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.830 9.618 -10.001 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.720 12.084 -8.445 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.758 10.906 -10.343 1.00 0.00 H new ATOM 1305 N SER A 80 -3.242 8.959 -2.757 1.00 0.00 N ATOM 1306 CA SER A 80 -2.087 9.031 -1.890 1.00 0.00 C ATOM 1307 C SER A 80 -0.896 8.364 -2.560 1.00 0.00 C ATOM 1308 O SER A 80 -1.021 7.283 -3.141 1.00 0.00 O ATOM 1309 CB SER A 80 -2.409 8.354 -0.562 1.00 0.00 C ATOM 1310 OG SER A 80 -3.173 7.177 -0.772 1.00 0.00 O ATOM 0 H SER A 80 -3.969 8.322 -2.431 1.00 0.00 H new ATOM 0 HA SER A 80 -1.833 10.074 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.484 8.105 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.961 9.042 0.079 1.00 0.00 H new ATOM 0 HG SER A 80 -4.081 7.311 -0.429 1.00 0.00 H new ATOM 1316 N GLU A 81 0.249 9.017 -2.504 1.00 0.00 N ATOM 1317 CA GLU A 81 1.430 8.506 -3.164 1.00 0.00 C ATOM 1318 C GLU A 81 2.161 7.516 -2.272 1.00 0.00 C ATOM 1319 O GLU A 81 2.891 7.899 -1.357 1.00 0.00 O ATOM 1320 CB GLU A 81 2.352 9.654 -3.564 1.00 0.00 C ATOM 1321 CG GLU A 81 3.507 9.224 -4.444 1.00 0.00 C ATOM 1322 CD GLU A 81 4.362 10.391 -4.880 1.00 0.00 C ATOM 1323 OE1 GLU A 81 4.003 11.057 -5.872 1.00 0.00 O ATOM 1324 OE2 GLU A 81 5.405 10.641 -4.250 1.00 0.00 O ATOM 0 H GLU A 81 0.384 9.899 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 81 1.119 7.981 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.769 10.412 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.747 10.123 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.124 8.506 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.119 8.712 -5.325 1.00 0.00 H new ATOM 1331 N ILE A 82 1.943 6.240 -2.536 1.00 0.00 N ATOM 1332 CA ILE A 82 2.611 5.185 -1.803 1.00 0.00 C ATOM 1333 C ILE A 82 3.906 4.823 -2.504 1.00 0.00 C ATOM 1334 O ILE A 82 3.903 4.221 -3.582 1.00 0.00 O ATOM 1335 CB ILE A 82 1.728 3.925 -1.667 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.372 4.280 -1.050 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.430 2.859 -0.830 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.467 5.009 0.272 1.00 0.00 C ATOM 0 H ILE A 82 1.303 5.910 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 82 2.815 5.557 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 82 1.559 3.521 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.185 4.898 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.201 3.364 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.790 1.981 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.369 2.580 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.634 3.254 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.536 5.224 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.994 4.386 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.011 5.944 0.134 1.00 0.00 H new ATOM 1350 N VAL A 83 5.007 5.206 -1.896 1.00 0.00 N ATOM 1351 CA VAL A 83 6.316 4.967 -2.476 1.00 0.00 C ATOM 1352 C VAL A 83 6.857 3.628 -1.997 1.00 0.00 C ATOM 1353 O VAL A 83 7.097 3.435 -0.805 1.00 0.00 O ATOM 1354 CB VAL A 83 7.311 6.087 -2.109 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.620 5.898 -2.856 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.711 7.455 -2.400 1.00 0.00 C ATOM 0 H VAL A 83 5.025 5.686 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 83 6.203 4.955 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 83 7.517 6.031 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.311 6.696 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.056 4.935 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.434 5.927 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.429 8.231 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.472 7.529 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.802 7.586 -1.814 1.00 0.00 H new ATOM 1366 N VAL A 84 7.026 2.698 -2.920 1.00 0.00 N ATOM 1367 CA VAL A 84 7.489 1.369 -2.573 1.00 0.00 C ATOM 1368 C VAL A 84 9.001 1.279 -2.709 1.00 0.00 C ATOM 1369 O VAL A 84 9.542 1.205 -3.815 1.00 0.00 O ATOM 1370 CB VAL A 84 6.825 0.283 -3.445 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.250 -1.105 -2.994 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.312 0.416 -3.404 1.00 0.00 C ATOM 0 H VAL A 84 6.849 2.840 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 84 7.205 1.191 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 84 7.156 0.424 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.770 -1.855 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.333 -1.200 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.953 -1.257 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.862 -0.358 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.965 0.305 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.023 1.397 -3.781 1.00 0.00 H new ATOM 1382 N PHE A 85 9.678 1.304 -1.578 1.00 0.00 N ATOM 1383 CA PHE A 85 11.120 1.184 -1.551 1.00 0.00 C ATOM 1384 C PHE A 85 11.518 -0.272 -1.406 1.00 0.00 C ATOM 1385 O PHE A 85 11.240 -0.911 -0.387 1.00 0.00 O ATOM 1386 CB PHE A 85 11.716 2.007 -0.411 1.00 0.00 C ATOM 1387 CG PHE A 85 11.859 3.468 -0.730 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.848 3.901 -1.600 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.020 4.410 -0.158 1.00 0.00 C ATOM 1390 CE1 PHE A 85 12.995 5.243 -1.894 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.161 5.753 -0.448 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.151 6.170 -1.317 1.00 0.00 C ATOM 0 H PHE A 85 9.247 1.407 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 85 11.513 1.570 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.086 1.897 0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.696 1.602 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.512 3.180 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.246 4.090 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.769 5.566 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.498 6.476 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.264 7.220 -1.544 1.00 0.00 H new ATOM 1402 N LEU A 86 12.156 -0.798 -2.434 1.00 0.00 N ATOM 1403 CA LEU A 86 12.573 -2.183 -2.429 1.00 0.00 C ATOM 1404 C LEU A 86 13.861 -2.335 -1.643 1.00 0.00 C ATOM 1405 O LEU A 86 14.851 -1.658 -1.921 1.00 0.00 O ATOM 1406 CB LEU A 86 12.765 -2.698 -3.858 1.00 0.00 C ATOM 1407 CG LEU A 86 11.558 -2.522 -4.780 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.764 -3.286 -6.077 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.279 -2.976 -4.093 1.00 0.00 C ATOM 0 H LEU A 86 12.396 -0.285 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 86 11.792 -2.776 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.618 -2.185 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.018 -3.757 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 86 11.461 -1.462 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.895 -3.150 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.654 -2.911 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.891 -4.346 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.435 -2.841 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.364 -4.029 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.120 -2.384 -3.192 1.00 0.00 H new ATOM 1421 N LYS A 87 13.840 -3.212 -0.652 1.00 0.00 N ATOM 1422 CA LYS A 87 15.023 -3.489 0.150 1.00 0.00 C ATOM 1423 C LYS A 87 15.916 -4.496 -0.571 1.00 0.00 C ATOM 1424 O LYS A 87 16.940 -4.938 -0.049 1.00 0.00 O ATOM 1425 CB LYS A 87 14.616 -4.019 1.531 1.00 0.00 C ATOM 1426 CG LYS A 87 13.640 -3.108 2.266 1.00 0.00 C ATOM 1427 CD LYS A 87 14.230 -1.726 2.499 1.00 0.00 C ATOM 1428 CE LYS A 87 13.217 -0.782 3.126 1.00 0.00 C ATOM 1429 NZ LYS A 87 13.801 0.558 3.412 1.00 0.00 N ATOM 0 H LYS A 87 13.014 -3.746 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 87 15.583 -2.564 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.165 -5.004 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.510 -4.148 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.720 -3.019 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.373 -3.556 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.102 -1.807 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.575 -1.313 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.364 -0.670 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.841 -1.218 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.063 1.185 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.566 0.462 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.183 0.965 2.534 1.00 0.00 H new ATOM 1443 N SER A 88 15.514 -4.844 -1.785 1.00 0.00 N ATOM 1444 CA SER A 88 16.265 -5.758 -2.618 1.00 0.00 C ATOM 1445 C SER A 88 16.112 -5.367 -4.085 1.00 0.00 C ATOM 1446 O SER A 88 15.004 -5.358 -4.622 1.00 0.00 O ATOM 1447 CB SER A 88 15.784 -7.195 -2.395 1.00 0.00 C ATOM 1448 OG SER A 88 16.573 -8.126 -3.121 1.00 0.00 O ATOM 0 H SER A 88 14.657 -4.498 -2.216 1.00 0.00 H new ATOM 0 HA SER A 88 17.319 -5.701 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.825 -7.433 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.742 -7.283 -2.701 1.00 0.00 H new ATOM 0 HG SER A 88 16.242 -9.034 -2.956 1.00 0.00 H new ATOM 1454 N ILE A 89 17.226 -5.029 -4.718 1.00 0.00 N ATOM 1455 CA ILE A 89 17.233 -4.670 -6.133 1.00 0.00 C ATOM 1456 C ILE A 89 17.879 -5.786 -6.950 1.00 0.00 C ATOM 1457 O ILE A 89 18.013 -5.693 -8.172 1.00 0.00 O ATOM 1458 CB ILE A 89 17.967 -3.330 -6.414 1.00 0.00 C ATOM 1459 CG1 ILE A 89 19.497 -3.451 -6.251 1.00 0.00 C ATOM 1460 CG2 ILE A 89 17.420 -2.228 -5.517 1.00 0.00 C ATOM 1461 CD1 ILE A 89 19.988 -3.590 -4.822 1.00 0.00 C ATOM 0 H ILE A 89 18.143 -4.995 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 89 16.192 -4.536 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 89 17.777 -3.072 -7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 89 19.839 -4.315 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 89 19.964 -2.571 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 89 17.944 -1.295 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.355 -2.097 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 89 17.568 -2.502 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.075 -3.668 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.684 -2.716 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 89 19.558 -4.486 -4.375 1.00 0.00 H new ATOM 1473 N ASN A 90 18.270 -6.842 -6.247 1.00 0.00 N ATOM 1474 CA ASN A 90 18.897 -8.008 -6.860 1.00 0.00 C ATOM 1475 C ASN A 90 17.901 -8.724 -7.770 1.00 0.00 C ATOM 1476 O ASN A 90 16.745 -8.925 -7.390 1.00 0.00 O ATOM 1477 CB ASN A 90 19.390 -8.960 -5.759 1.00 0.00 C ATOM 1478 CG ASN A 90 20.336 -10.039 -6.259 1.00 0.00 C ATOM 1479 OD1 ASN A 90 20.269 -10.472 -7.406 1.00 0.00 O ATOM 1480 ND2 ASN A 90 21.228 -10.485 -5.388 1.00 0.00 N ATOM 0 H ASN A 90 18.162 -6.915 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 90 19.746 -7.686 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 90 19.893 -8.378 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 90 18.528 -9.435 -5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 90 21.889 -11.212 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 90 21.254 -10.102 -4.443 1.00 0.00 H new ATOM 1487 N ARG A 91 18.357 -9.073 -8.976 1.00 0.00 N ATOM 1488 CA ARG A 91 17.561 -9.833 -9.945 1.00 0.00 C ATOM 1489 C ARG A 91 16.461 -8.993 -10.586 1.00 0.00 C ATOM 1490 O ARG A 91 15.576 -9.532 -11.255 1.00 0.00 O ATOM 1491 CB ARG A 91 16.959 -11.087 -9.311 1.00 0.00 C ATOM 1492 CG ARG A 91 17.698 -12.364 -9.669 1.00 0.00 C ATOM 1493 CD ARG A 91 17.009 -13.580 -9.078 1.00 0.00 C ATOM 1494 NE ARG A 91 15.586 -13.632 -9.429 1.00 0.00 N ATOM 1495 CZ ARG A 91 14.716 -14.480 -8.884 1.00 0.00 C ATOM 1496 NH1 ARG A 91 15.126 -15.387 -8.006 1.00 0.00 N ATOM 1497 NH2 ARG A 91 13.433 -14.427 -9.219 1.00 0.00 N ATOM 0 H ARG A 91 19.291 -8.836 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 91 18.250 -10.133 -10.734 1.00 0.00 H new ATOM 0 HB2 ARG A 91 16.956 -10.970 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.919 -11.179 -9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.752 -12.464 -10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.723 -12.309 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 91 17.503 -14.484 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.114 -13.564 -7.993 1.00 0.00 H new ATOM 0 HE ARG A 91 15.242 -12.979 -10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.111 -15.436 -7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.456 -16.035 -7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.111 -13.735 -9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.769 -15.078 -8.800 1.00 0.00 H new ATOM 1511 N ALA A 92 16.512 -7.684 -10.396 1.00 0.00 N ATOM 1512 CA ALA A 92 15.610 -6.793 -11.105 1.00 0.00 C ATOM 1513 C ALA A 92 16.140 -6.571 -12.516 1.00 0.00 C ATOM 1514 O ALA A 92 17.065 -5.788 -12.727 1.00 0.00 O ATOM 1515 CB ALA A 92 15.450 -5.472 -10.363 1.00 0.00 C ATOM 0 H ALA A 92 17.162 -7.219 -9.763 1.00 0.00 H new ATOM 0 HA ALA A 92 14.622 -7.250 -11.161 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.770 -4.824 -10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.045 -5.660 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 92 16.421 -4.985 -10.273 1.00 0.00 H new ATOM 1521 N LYS A 93 15.581 -7.295 -13.472 1.00 0.00 N ATOM 1522 CA LYS A 93 16.087 -7.272 -14.834 1.00 0.00 C ATOM 1523 C LYS A 93 14.976 -6.974 -15.829 1.00 0.00 C ATOM 1524 O LYS A 93 14.049 -7.768 -15.999 1.00 0.00 O ATOM 1525 CB LYS A 93 16.751 -8.615 -15.167 1.00 0.00 C ATOM 1526 CG LYS A 93 17.294 -8.708 -16.588 1.00 0.00 C ATOM 1527 CD LYS A 93 18.408 -7.701 -16.845 1.00 0.00 C ATOM 1528 CE LYS A 93 19.606 -7.925 -15.932 1.00 0.00 C ATOM 1529 NZ LYS A 93 20.212 -9.271 -16.115 1.00 0.00 N ATOM 0 H LYS A 93 14.777 -7.906 -13.330 1.00 0.00 H new ATOM 0 HA LYS A 93 16.827 -6.476 -14.910 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.568 -8.788 -14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.026 -9.414 -15.014 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.669 -9.716 -16.767 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.483 -8.539 -17.297 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.727 -7.772 -17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.024 -6.691 -16.698 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.358 -7.161 -16.129 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.296 -7.807 -14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.116 -9.317 -15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.566 -9.996 -15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.378 -9.442 -17.127 1.00 0.00 H new ATOM 1543 N ASP A 94 15.073 -5.824 -16.470 1.00 0.00 N ATOM 1544 CA ASP A 94 14.148 -5.455 -17.527 1.00 0.00 C ATOM 1545 C ASP A 94 14.906 -5.329 -18.837 1.00 0.00 C ATOM 1546 O ASP A 94 14.860 -6.282 -19.645 1.00 0.00 O ATOM 1547 CB ASP A 94 13.427 -4.142 -17.204 1.00 0.00 C ATOM 1548 CG ASP A 94 12.359 -4.303 -16.142 1.00 0.00 C ATOM 1549 OD1 ASP A 94 11.259 -4.806 -16.469 1.00 0.00 O ATOM 1550 OD2 ASP A 94 12.605 -3.920 -14.976 1.00 0.00 O ATOM 1551 OXT ASP A 94 15.580 -4.296 -19.032 1.00 0.00 O ATOM 0 H ASP A 94 15.789 -5.124 -16.275 1.00 0.00 H new ATOM 0 HA ASP A 94 13.391 -6.235 -17.613 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.157 -3.405 -16.869 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.972 -3.750 -18.113 1.00 0.00 H new TER 1556 ASP A 94