USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 950 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 101 ASN : amide:sc= -10.2! C(o=-12!,f=-18!) USER MOD Set 1.2: A 107 ASN : amide:sc= -2.32 K(o=-12,f=-16!) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -176:sc= 0.345 (180deg=0.336) USER MOD Set 2.2: A 64 SER OG : rot -160:sc= 0.00698 USER MOD Set 3.1: A 5 ASN : amide:sc= -0.824 K(o=0.25,f=-8.4!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 170:sc= 1.08 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.48 K(o=-2.5,f=-3.1) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.96 F(o=-4.2!,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -1.14! (180deg=-2.33!) USER MOD Single : A 15 SER OG : rot 74:sc= 1.17 USER MOD Single : A 20 SER OG : rot 151:sc= -0.651! USER MOD Single : A 25 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.2!) USER MOD Single : A 29 TYR OH : rot 150:sc= -3.51! USER MOD Single : A 30 HIS :FLIP no HE2:sc= -5.8! F(o=-8,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -140:sc= -3.63! USER MOD Single : A 42 ASN : amide:sc= -2.03 X(o=-2,f=-2.5) USER MOD Single : A 49 ASN : amide:sc= 0.089 X(o=0.089,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= 1.03 (180deg=-1.29) USER MOD Single : A 54 THR OG1 : rot 140:sc= -0.316! USER MOD Single : A 59 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.3!) USER MOD Single : A 73 ASN : amide:sc= -7.55! C(o=-7.5!,f=-10!) USER MOD Single : A 74 SER OG : rot -150:sc= -0.387 USER MOD Single : A 80 SER OG : rot 180:sc= -0.13 USER MOD Single : A 81 THR OG1 : rot -11:sc= -1.94! USER MOD Single : A 85 ASN : amide:sc= -3.78 K(o=-3.8,f=-4.9!) USER MOD Single : A 87 ASN : amide:sc= -7.01! C(o=-7!,f=-8.1!) USER MOD Single : A 89 LYS NZ :NH3+ -154:sc= -2.03 (180deg=-3.24!) USER MOD Single : A 97 MET CE :methyl 161:sc= -6.13! (180deg=-7.95!) USER MOD Single : A 99 SER OG : rot -91:sc= 1.29 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -160:sc= -0.968 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 90:sc= -0.533 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 113 ASN : amide:sc= -6.44! C(o=-6.4!,f=-6.1!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 55:sc= -0.384 USER MOD Single : A 121 TYR OH : rot 125:sc= 1.16 USER MOD Single : A 124 SER OG : rot -130:sc= -1.35 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.12 F(o=-1.1,f=-0.12) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LYS A 3 -15.350 21.694 -1.010 1.00 0.00 N ATOM 33 CA LYS A 3 -14.803 20.529 -0.324 1.00 0.00 C ATOM 34 C LYS A 3 -15.076 19.253 -1.112 1.00 0.00 C ATOM 35 O LYS A 3 -15.706 18.322 -0.611 1.00 0.00 O ATOM 36 CB LYS A 3 -15.388 20.410 1.085 1.00 0.00 C ATOM 37 CG LYS A 3 -16.905 20.519 1.133 1.00 0.00 C ATOM 38 CD LYS A 3 -17.360 21.632 2.067 1.00 0.00 C ATOM 39 CE LYS A 3 -16.763 22.977 1.677 1.00 0.00 C ATOM 40 NZ LYS A 3 -17.756 23.848 0.990 1.00 0.00 N ATOM 0 HA LYS A 3 -13.724 20.663 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.088 19.453 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.957 21.189 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.288 20.706 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.328 19.570 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.448 21.699 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.071 21.389 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.393 23.482 2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.906 22.818 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.310 24.754 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.090 23.378 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.562 24.022 1.623 1.00 0.00 H new ATOM 54 N THR A 4 -14.585 19.214 -2.345 1.00 0.00 N ATOM 55 CA THR A 4 -14.764 18.048 -3.200 1.00 0.00 C ATOM 56 C THR A 4 -13.713 16.999 -2.876 1.00 0.00 C ATOM 57 O THR A 4 -14.016 15.812 -2.762 1.00 0.00 O ATOM 58 CB THR A 4 -14.668 18.443 -4.675 1.00 0.00 C ATOM 59 OG1 THR A 4 -15.720 19.324 -5.027 1.00 0.00 O ATOM 60 CG2 THR A 4 -14.723 17.259 -5.619 1.00 0.00 C ATOM 0 H THR A 4 -14.060 19.976 -2.774 1.00 0.00 H new ATOM 0 HA THR A 4 -15.754 17.632 -3.015 1.00 0.00 H new ATOM 0 HB THR A 4 -13.696 18.925 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.641 19.567 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.650 17.611 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.893 16.585 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.665 16.729 -5.483 1.00 0.00 H new ATOM 68 N ASN A 5 -12.472 17.450 -2.724 1.00 0.00 N ATOM 69 CA ASN A 5 -11.365 16.559 -2.410 1.00 0.00 C ATOM 70 C ASN A 5 -11.732 15.617 -1.267 1.00 0.00 C ATOM 71 O ASN A 5 -11.221 14.502 -1.185 1.00 0.00 O ATOM 72 CB ASN A 5 -10.120 17.368 -2.049 1.00 0.00 C ATOM 73 CG ASN A 5 -9.176 17.527 -3.226 1.00 0.00 C ATOM 74 OD1 ASN A 5 -8.736 18.634 -3.537 1.00 0.00 O ATOM 75 ND2 ASN A 5 -8.862 16.419 -3.886 1.00 0.00 N ATOM 0 H ASN A 5 -12.209 18.431 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.151 15.957 -3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.420 18.353 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.596 16.877 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.232 16.464 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.251 15.523 -3.592 1.00 0.00 H new ATOM 82 N LEU A 6 -12.628 16.066 -0.393 1.00 0.00 N ATOM 83 CA LEU A 6 -13.064 15.255 0.728 1.00 0.00 C ATOM 84 C LEU A 6 -14.220 14.362 0.312 1.00 0.00 C ATOM 85 O LEU A 6 -14.072 13.148 0.230 1.00 0.00 O ATOM 86 CB LEU A 6 -13.473 16.139 1.900 1.00 0.00 C ATOM 87 CG LEU A 6 -12.398 16.309 2.970 1.00 0.00 C ATOM 88 CD1 LEU A 6 -11.738 17.672 2.847 1.00 0.00 C ATOM 89 CD2 LEU A 6 -12.995 16.111 4.353 1.00 0.00 C ATOM 0 H LEU A 6 -13.063 16.987 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.232 14.626 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -13.747 17.123 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.365 15.717 2.363 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.630 15.550 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.974 17.777 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.277 17.766 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.489 18.452 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.217 16.235 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.781 16.847 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -13.416 15.108 4.428 1.00 0.00 H new ATOM 101 N GLY A 7 -15.365 14.972 0.024 1.00 0.00 N ATOM 102 CA GLY A 7 -16.521 14.203 -0.404 1.00 0.00 C ATOM 103 C GLY A 7 -16.173 13.225 -1.509 1.00 0.00 C ATOM 104 O GLY A 7 -16.861 12.226 -1.705 1.00 0.00 O ATOM 0 H GLY A 7 -15.514 15.980 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.930 13.658 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.300 14.882 -0.752 1.00 0.00 H new ATOM 108 N GLU A 8 -15.097 13.520 -2.230 1.00 0.00 N ATOM 109 CA GLU A 8 -14.646 12.673 -3.322 1.00 0.00 C ATOM 110 C GLU A 8 -13.619 11.647 -2.843 1.00 0.00 C ATOM 111 O GLU A 8 -13.453 10.597 -3.463 1.00 0.00 O ATOM 112 CB GLU A 8 -14.036 13.536 -4.428 1.00 0.00 C ATOM 113 CG GLU A 8 -14.176 12.951 -5.822 1.00 0.00 C ATOM 114 CD GLU A 8 -15.603 12.554 -6.150 1.00 0.00 C ATOM 115 OE1 GLU A 8 -16.529 13.300 -5.768 1.00 0.00 O ATOM 116 OE2 GLU A 8 -15.793 11.498 -6.789 1.00 0.00 O ATOM 0 H GLU A 8 -14.519 14.346 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.510 12.133 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.508 14.518 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.978 13.687 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.829 13.680 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.530 12.077 -5.911 1.00 0.00 H new ATOM 123 N LEU A 9 -12.927 11.948 -1.741 1.00 0.00 N ATOM 124 CA LEU A 9 -11.926 11.029 -1.213 1.00 0.00 C ATOM 125 C LEU A 9 -12.462 10.256 -0.016 1.00 0.00 C ATOM 126 O LEU A 9 -11.877 9.255 0.398 1.00 0.00 O ATOM 127 CB LEU A 9 -10.653 11.781 -0.815 1.00 0.00 C ATOM 128 CG LEU A 9 -9.820 12.312 -1.983 1.00 0.00 C ATOM 129 CD1 LEU A 9 -8.656 13.146 -1.470 1.00 0.00 C ATOM 130 CD2 LEU A 9 -9.316 11.162 -2.843 1.00 0.00 C ATOM 0 H LEU A 9 -13.042 12.809 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.686 10.319 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.930 12.619 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.029 11.117 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.454 12.949 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.074 13.516 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.038 13.990 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.021 12.531 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.725 11.557 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.696 10.500 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.165 10.604 -3.238 1.00 0.00 H new ATOM 142 N ILE A 10 -13.564 10.732 0.550 1.00 0.00 N ATOM 143 CA ILE A 10 -14.149 10.085 1.707 1.00 0.00 C ATOM 144 C ILE A 10 -15.152 9.010 1.310 1.00 0.00 C ATOM 145 O ILE A 10 -15.151 7.922 1.883 1.00 0.00 O ATOM 146 CB ILE A 10 -14.813 11.097 2.659 1.00 0.00 C ATOM 147 CG1 ILE A 10 -16.024 11.800 2.020 1.00 0.00 C ATOM 148 CG2 ILE A 10 -13.808 12.124 3.108 1.00 0.00 C ATOM 149 CD1 ILE A 10 -16.509 13.013 2.810 1.00 0.00 C ATOM 0 H ILE A 10 -14.065 11.559 0.226 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.325 9.607 2.237 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.178 10.534 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.760 12.115 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.842 11.086 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.289 12.834 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.989 11.628 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.417 12.654 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.364 13.459 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.804 12.701 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.706 13.746 2.880 1.00 0.00 H new ATOM 161 N ASN A 11 -15.997 9.303 0.320 1.00 0.00 N ATOM 162 CA ASN A 11 -16.984 8.328 -0.144 1.00 0.00 C ATOM 163 C ASN A 11 -16.328 6.965 -0.306 1.00 0.00 C ATOM 164 O ASN A 11 -16.936 5.926 -0.050 1.00 0.00 O ATOM 165 CB ASN A 11 -17.593 8.767 -1.473 1.00 0.00 C ATOM 166 CG ASN A 11 -18.417 10.030 -1.345 1.00 0.00 C ATOM 167 OD1 ASN A 11 -18.780 10.440 -0.242 1.00 0.00 O ATOM 168 ND2 ASN A 11 -18.718 10.653 -2.476 1.00 0.00 N ATOM 0 H ASN A 11 -16.018 10.197 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.779 8.263 0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -16.796 8.929 -2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -18.221 7.966 -1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.272 11.509 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.395 10.276 -3.367 1.00 0.00 H new ATOM 175 N GLN A 12 -15.068 6.993 -0.721 1.00 0.00 N ATOM 176 CA GLN A 12 -14.289 5.779 -0.910 1.00 0.00 C ATOM 177 C GLN A 12 -13.651 5.349 0.405 1.00 0.00 C ATOM 178 O GLN A 12 -13.548 4.160 0.698 1.00 0.00 O ATOM 179 CB GLN A 12 -13.199 6.008 -1.959 1.00 0.00 C ATOM 180 CG GLN A 12 -12.112 6.968 -1.495 1.00 0.00 C ATOM 181 CD GLN A 12 -11.084 7.259 -2.569 1.00 0.00 C ATOM 182 OE1 GLN A 12 -10.305 8.315 -2.365 1.00 0.00 O flip ATOM 183 NE2 GLN A 12 -10.989 6.546 -3.568 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.561 7.852 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.958 4.991 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.744 5.051 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.655 6.398 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.572 7.903 -1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.610 6.547 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.609 5.744 -3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.290 6.757 -4.281 1.00 0.00 H new ATOM 192 N GLY A 13 -13.220 6.334 1.189 1.00 0.00 N ATOM 193 CA GLY A 13 -12.590 6.047 2.462 1.00 0.00 C ATOM 194 C GLY A 13 -13.473 5.225 3.378 1.00 0.00 C ATOM 195 O GLY A 13 -13.139 4.088 3.712 1.00 0.00 O ATOM 0 H GLY A 13 -13.297 7.326 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.656 5.513 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.334 6.984 2.956 1.00 0.00 H new ATOM 199 N LYS A 14 -14.607 5.792 3.785 1.00 0.00 N ATOM 200 CA LYS A 14 -15.531 5.077 4.665 1.00 0.00 C ATOM 201 C LYS A 14 -15.931 3.745 4.038 1.00 0.00 C ATOM 202 O LYS A 14 -16.233 2.783 4.740 1.00 0.00 O ATOM 203 CB LYS A 14 -16.788 5.904 4.996 1.00 0.00 C ATOM 204 CG LYS A 14 -17.037 7.096 4.082 1.00 0.00 C ATOM 205 CD LYS A 14 -16.414 8.367 4.643 1.00 0.00 C ATOM 206 CE LYS A 14 -17.015 9.610 4.007 1.00 0.00 C ATOM 207 NZ LYS A 14 -18.458 9.764 4.344 1.00 0.00 N ATOM 0 H LYS A 14 -14.906 6.732 3.524 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.006 4.898 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -17.657 5.247 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.708 6.263 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.623 6.892 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.110 7.241 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.563 8.401 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.338 8.353 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.468 10.491 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.899 9.556 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.758 10.740 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.021 9.105 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.603 9.554 5.352 1.00 0.00 H new ATOM 221 N SER A 15 -15.908 3.694 2.708 1.00 0.00 N ATOM 222 CA SER A 15 -16.247 2.474 1.984 1.00 0.00 C ATOM 223 C SER A 15 -15.063 1.510 1.983 1.00 0.00 C ATOM 224 O SER A 15 -15.231 0.300 1.847 1.00 0.00 O ATOM 225 CB SER A 15 -16.654 2.802 0.548 1.00 0.00 C ATOM 226 OG SER A 15 -17.786 3.653 0.518 1.00 0.00 O ATOM 0 H SER A 15 -15.658 4.483 2.112 1.00 0.00 H new ATOM 0 HA SER A 15 -17.088 1.998 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.822 3.281 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.875 1.880 0.010 1.00 0.00 H new ATOM 0 HG SER A 15 -17.520 4.560 0.777 1.00 0.00 H new ATOM 232 N LEU A 16 -13.865 2.064 2.155 1.00 0.00 N ATOM 233 CA LEU A 16 -12.644 1.277 2.197 1.00 0.00 C ATOM 234 C LEU A 16 -12.511 0.638 3.566 1.00 0.00 C ATOM 235 O LEU A 16 -12.529 -0.582 3.708 1.00 0.00 O ATOM 236 CB LEU A 16 -11.437 2.185 1.937 1.00 0.00 C ATOM 237 CG LEU A 16 -10.321 1.589 1.076 1.00 0.00 C ATOM 238 CD1 LEU A 16 -9.321 2.672 0.681 1.00 0.00 C ATOM 239 CD2 LEU A 16 -9.621 0.459 1.818 1.00 0.00 C ATOM 0 H LEU A 16 -13.718 3.067 2.268 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.682 0.502 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.791 3.097 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.012 2.475 2.898 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.764 1.180 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.533 2.234 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.832 3.449 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.883 3.108 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.830 0.047 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.188 0.843 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.342 -0.323 2.053 1.00 0.00 H new ATOM 251 N LEU A 17 -12.394 1.495 4.571 1.00 0.00 N ATOM 252 CA LEU A 17 -12.268 1.079 5.952 1.00 0.00 C ATOM 253 C LEU A 17 -13.402 0.132 6.346 1.00 0.00 C ATOM 254 O LEU A 17 -13.211 -0.769 7.160 1.00 0.00 O ATOM 255 CB LEU A 17 -12.272 2.332 6.840 1.00 0.00 C ATOM 256 CG LEU A 17 -11.037 2.541 7.722 1.00 0.00 C ATOM 257 CD1 LEU A 17 -11.218 1.806 9.034 1.00 0.00 C ATOM 258 CD2 LEU A 17 -9.764 2.080 7.013 1.00 0.00 C ATOM 0 H LEU A 17 -12.384 2.507 4.444 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.333 0.535 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.387 3.206 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.150 2.292 7.484 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.930 3.607 7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.338 1.956 9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.099 2.191 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.348 0.741 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.906 2.242 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.844 1.019 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.633 2.650 6.093 1.00 0.00 H new ATOM 270 N ASP A 18 -14.580 0.338 5.766 1.00 0.00 N ATOM 271 CA ASP A 18 -15.736 -0.502 6.069 1.00 0.00 C ATOM 272 C ASP A 18 -15.729 -1.791 5.248 1.00 0.00 C ATOM 273 O ASP A 18 -16.352 -2.780 5.630 1.00 0.00 O ATOM 274 CB ASP A 18 -17.033 0.267 5.814 1.00 0.00 C ATOM 275 CG ASP A 18 -17.264 1.366 6.832 1.00 0.00 C ATOM 276 OD1 ASP A 18 -16.268 1.928 7.335 1.00 0.00 O ATOM 277 OD2 ASP A 18 -18.440 1.665 7.127 1.00 0.00 O ATOM 0 H ASP A 18 -14.760 1.076 5.086 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.676 -0.773 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -17.004 0.702 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.873 -0.427 5.835 1.00 0.00 H new ATOM 282 N GLU A 19 -15.029 -1.775 4.118 1.00 0.00 N ATOM 283 CA GLU A 19 -14.954 -2.948 3.252 1.00 0.00 C ATOM 284 C GLU A 19 -13.619 -3.671 3.411 1.00 0.00 C ATOM 285 O GLU A 19 -13.443 -4.779 2.906 1.00 0.00 O ATOM 286 CB GLU A 19 -15.155 -2.545 1.791 1.00 0.00 C ATOM 287 CG GLU A 19 -16.562 -2.059 1.482 1.00 0.00 C ATOM 288 CD GLU A 19 -17.448 -3.155 0.922 1.00 0.00 C ATOM 289 OE1 GLU A 19 -17.138 -3.666 -0.175 1.00 0.00 O ATOM 290 OE2 GLU A 19 -18.451 -3.501 1.581 1.00 0.00 O ATOM 0 H GLU A 19 -14.507 -0.966 3.781 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.750 -3.631 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.444 -1.758 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.926 -3.398 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.013 -1.662 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.510 -1.238 0.767 1.00 0.00 H new ATOM 297 N SER A 20 -12.680 -3.042 4.112 1.00 0.00 N ATOM 298 CA SER A 20 -11.373 -3.630 4.328 1.00 0.00 C ATOM 299 C SER A 20 -11.246 -4.142 5.748 1.00 0.00 C ATOM 300 O SER A 20 -11.053 -3.370 6.687 1.00 0.00 O ATOM 301 CB SER A 20 -10.277 -2.610 4.065 1.00 0.00 C ATOM 302 OG SER A 20 -10.546 -1.380 4.721 1.00 0.00 O ATOM 0 H SER A 20 -12.806 -2.124 4.538 1.00 0.00 H new ATOM 0 HA SER A 20 -11.264 -4.463 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.320 -3.005 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.186 -2.440 2.992 1.00 0.00 H new ATOM 0 HG SER A 20 -9.701 -0.932 4.935 1.00 0.00 H new ATOM 308 N VAL A 21 -11.354 -5.445 5.897 1.00 0.00 N ATOM 309 CA VAL A 21 -11.254 -6.070 7.200 1.00 0.00 C ATOM 310 C VAL A 21 -9.837 -6.552 7.464 1.00 0.00 C ATOM 311 O VAL A 21 -9.173 -7.074 6.573 1.00 0.00 O ATOM 312 CB VAL A 21 -12.239 -7.251 7.311 1.00 0.00 C ATOM 313 CG1 VAL A 21 -11.518 -8.594 7.347 1.00 0.00 C ATOM 314 CG2 VAL A 21 -13.135 -7.087 8.528 1.00 0.00 C ATOM 0 H VAL A 21 -11.512 -6.096 5.128 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.512 -5.322 7.950 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.861 -7.243 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.250 -9.398 7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.937 -8.720 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.850 -8.626 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.823 -7.930 8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.522 -7.052 9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.703 -6.161 8.440 1.00 0.00 H new ATOM 324 N GLU A 22 -9.387 -6.388 8.695 1.00 0.00 N ATOM 325 CA GLU A 22 -8.052 -6.829 9.073 1.00 0.00 C ATOM 326 C GLU A 22 -8.047 -8.341 9.288 1.00 0.00 C ATOM 327 O GLU A 22 -8.609 -8.839 10.264 1.00 0.00 O ATOM 328 CB GLU A 22 -7.610 -6.133 10.359 1.00 0.00 C ATOM 329 CG GLU A 22 -8.639 -6.204 11.476 1.00 0.00 C ATOM 330 CD GLU A 22 -8.101 -6.875 12.725 1.00 0.00 C ATOM 331 OE1 GLU A 22 -7.430 -6.189 13.525 1.00 0.00 O ATOM 332 OE2 GLU A 22 -8.350 -8.086 12.903 1.00 0.00 O ATOM 0 H GLU A 22 -9.921 -5.955 9.448 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.360 -6.572 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.680 -6.584 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.395 -5.087 10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.970 -5.196 11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.515 -6.749 11.124 1.00 0.00 H new ATOM 339 N GLY A 23 -7.410 -9.067 8.376 1.00 0.00 N ATOM 340 CA GLY A 23 -7.344 -10.512 8.487 1.00 0.00 C ATOM 341 C GLY A 23 -5.920 -11.029 8.442 1.00 0.00 C ATOM 342 O GLY A 23 -5.245 -11.097 9.469 1.00 0.00 O ATOM 0 H GLY A 23 -6.937 -8.679 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.812 -10.824 9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.917 -10.963 7.677 1.00 0.00 H new ATOM 346 N PHE A 24 -5.461 -11.393 7.248 1.00 0.00 N ATOM 347 CA PHE A 24 -4.105 -11.908 7.070 1.00 0.00 C ATOM 348 C PHE A 24 -3.910 -12.459 5.660 1.00 0.00 C ATOM 349 O PHE A 24 -3.283 -13.504 5.473 1.00 0.00 O ATOM 350 CB PHE A 24 -3.803 -13.002 8.101 1.00 0.00 C ATOM 351 CG PHE A 24 -4.944 -13.954 8.320 1.00 0.00 C ATOM 352 CD1 PHE A 24 -5.282 -14.888 7.355 1.00 0.00 C ATOM 353 CD2 PHE A 24 -5.678 -13.915 9.495 1.00 0.00 C ATOM 354 CE1 PHE A 24 -6.331 -15.765 7.555 1.00 0.00 C ATOM 355 CE2 PHE A 24 -6.729 -14.790 9.701 1.00 0.00 C ATOM 356 CZ PHE A 24 -7.055 -15.716 8.730 1.00 0.00 C ATOM 0 H PHE A 24 -6.008 -11.341 6.388 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.413 -11.079 7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.928 -13.565 7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.545 -12.533 9.051 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.719 -14.932 6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.426 -13.193 10.258 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.584 -16.488 6.793 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.294 -14.749 10.620 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.875 -16.401 8.889 1.00 0.00 H new ATOM 366 N ASN A 25 -4.447 -11.755 4.669 1.00 0.00 N ATOM 367 CA ASN A 25 -4.325 -12.183 3.278 1.00 0.00 C ATOM 368 C ASN A 25 -4.875 -11.125 2.328 1.00 0.00 C ATOM 369 O ASN A 25 -5.424 -10.113 2.762 1.00 0.00 O ATOM 370 CB ASN A 25 -5.062 -13.508 3.066 1.00 0.00 C ATOM 371 CG ASN A 25 -4.138 -14.705 3.160 1.00 0.00 C ATOM 372 OD1 ASN A 25 -2.918 -14.574 3.052 1.00 0.00 O ATOM 373 ND2 ASN A 25 -4.715 -15.884 3.362 1.00 0.00 N ATOM 0 H ASN A 25 -4.969 -10.889 4.801 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.266 -12.322 3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.853 -13.604 3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.544 -13.500 2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.144 -16.726 3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.730 -15.948 3.446 1.00 0.00 H new ATOM 380 N VAL A 26 -4.725 -11.366 1.027 1.00 0.00 N ATOM 381 CA VAL A 26 -5.210 -10.431 0.016 1.00 0.00 C ATOM 382 C VAL A 26 -6.670 -10.067 0.268 1.00 0.00 C ATOM 383 O VAL A 26 -7.545 -10.934 0.278 1.00 0.00 O ATOM 384 CB VAL A 26 -5.067 -11.011 -1.406 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.922 -12.260 -1.568 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.431 -9.965 -2.450 1.00 0.00 C ATOM 0 H VAL A 26 -4.273 -12.199 0.650 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.596 -9.533 0.090 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.025 -11.294 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.806 -12.652 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.605 -13.014 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.969 -12.010 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.324 -10.393 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.463 -9.646 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.768 -9.106 -2.351 1.00 0.00 H new ATOM 396 N GLY A 27 -6.922 -8.782 0.488 1.00 0.00 N ATOM 397 CA GLY A 27 -8.271 -8.326 0.756 1.00 0.00 C ATOM 398 C GLY A 27 -8.452 -7.918 2.205 1.00 0.00 C ATOM 399 O GLY A 27 -9.325 -7.114 2.529 1.00 0.00 O ATOM 0 H GLY A 27 -6.214 -8.047 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.504 -7.480 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.978 -9.119 0.511 1.00 0.00 H new ATOM 403 N GLU A 28 -7.614 -8.473 3.077 1.00 0.00 N ATOM 404 CA GLU A 28 -7.666 -8.167 4.495 1.00 0.00 C ATOM 405 C GLU A 28 -6.269 -7.883 5.018 1.00 0.00 C ATOM 406 O GLU A 28 -5.329 -8.615 4.726 1.00 0.00 O ATOM 407 CB GLU A 28 -8.295 -9.331 5.263 1.00 0.00 C ATOM 408 CG GLU A 28 -9.631 -9.781 4.697 1.00 0.00 C ATOM 409 CD GLU A 28 -9.476 -10.757 3.546 1.00 0.00 C ATOM 410 OE1 GLU A 28 -9.062 -11.908 3.795 1.00 0.00 O ATOM 411 OE2 GLU A 28 -9.771 -10.369 2.396 1.00 0.00 O ATOM 0 H GLU A 28 -6.888 -9.141 2.819 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.282 -7.280 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.605 -10.175 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.431 -9.037 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.218 -10.248 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.190 -8.909 4.357 1.00 0.00 H new ATOM 418 N TYR A 29 -6.139 -6.811 5.783 1.00 0.00 N ATOM 419 CA TYR A 29 -4.848 -6.424 6.329 1.00 0.00 C ATOM 420 C TYR A 29 -4.638 -7.017 7.713 1.00 0.00 C ATOM 421 O TYR A 29 -5.529 -7.651 8.266 1.00 0.00 O ATOM 422 CB TYR A 29 -4.739 -4.902 6.376 1.00 0.00 C ATOM 423 CG TYR A 29 -5.611 -4.262 7.424 1.00 0.00 C ATOM 424 CD1 TYR A 29 -6.973 -4.046 7.204 1.00 0.00 C ATOM 425 CD2 TYR A 29 -5.066 -3.864 8.637 1.00 0.00 C ATOM 426 CE1 TYR A 29 -7.757 -3.453 8.169 1.00 0.00 C ATOM 427 CE2 TYR A 29 -5.851 -3.272 9.605 1.00 0.00 C ATOM 428 CZ TYR A 29 -7.193 -3.068 9.366 1.00 0.00 C ATOM 429 OH TYR A 29 -7.971 -2.478 10.331 1.00 0.00 O ATOM 0 H TYR A 29 -6.910 -6.194 6.040 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.067 -6.816 5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.701 -4.627 6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.005 -4.498 5.399 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.417 -4.347 6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.014 -4.020 8.825 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.809 -3.290 7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.416 -2.970 10.546 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.613 -2.694 11.217 1.00 0.00 H new ATOM 439 N HIS A 30 -3.453 -6.823 8.267 1.00 0.00 N ATOM 440 CA HIS A 30 -3.151 -7.367 9.586 1.00 0.00 C ATOM 441 C HIS A 30 -3.756 -6.517 10.699 1.00 0.00 C ATOM 442 O HIS A 30 -4.659 -6.962 11.407 1.00 0.00 O ATOM 443 CB HIS A 30 -1.647 -7.491 9.784 1.00 0.00 C ATOM 444 CG HIS A 30 -1.261 -8.588 10.726 1.00 0.00 C ATOM 445 ND1 HIS A 30 -0.866 -9.861 10.489 1.00 0.00 N flip ATOM 446 CD2 HIS A 30 -1.265 -8.439 12.097 1.00 0.00 C flip ATOM 447 CE1 HIS A 30 -0.641 -10.451 11.708 1.00 0.00 C flip ATOM 448 NE2 HIS A 30 -0.888 -9.573 12.663 1.00 0.00 N flip ATOM 0 H HIS A 30 -2.692 -6.301 7.834 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.600 -8.359 9.638 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.174 -7.668 8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.258 -6.545 10.161 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -0.756 -10.300 9.575 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.534 -7.537 12.626 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.315 -11.469 11.861 1.00 0.00 H new ATOM 457 N LYS A 31 -3.252 -5.300 10.858 1.00 0.00 N ATOM 458 CA LYS A 31 -3.751 -4.404 11.895 1.00 0.00 C ATOM 459 C LYS A 31 -3.130 -3.018 11.770 1.00 0.00 C ATOM 460 O LYS A 31 -1.999 -2.870 11.307 1.00 0.00 O ATOM 461 CB LYS A 31 -3.454 -4.982 13.279 1.00 0.00 C ATOM 462 CG LYS A 31 -4.159 -4.249 14.409 1.00 0.00 C ATOM 463 CD LYS A 31 -4.170 -5.073 15.687 1.00 0.00 C ATOM 464 CE LYS A 31 -4.054 -4.191 16.919 1.00 0.00 C ATOM 465 NZ LYS A 31 -3.992 -4.993 18.173 1.00 0.00 N ATOM 0 H LYS A 31 -2.502 -4.912 10.286 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.829 -4.309 11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.750 -6.031 13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.378 -4.952 13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.661 -3.297 14.593 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.183 -4.021 14.113 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.091 -5.653 15.739 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.345 -5.785 15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.160 -3.572 16.839 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.907 -3.514 16.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.913 -4.354 18.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.856 -5.565 18.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.163 -5.621 18.143 1.00 0.00 H new ATOM 479 N GLY A 32 -3.875 -2.002 12.193 1.00 0.00 N ATOM 480 CA GLY A 32 -3.381 -0.640 12.126 1.00 0.00 C ATOM 481 C GLY A 32 -3.927 0.128 10.938 1.00 0.00 C ATOM 482 O GLY A 32 -3.963 1.358 10.952 1.00 0.00 O ATOM 0 H GLY A 32 -4.813 -2.098 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.648 -0.117 13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.292 -0.656 12.073 1.00 0.00 H new ATOM 486 N ALA A 33 -4.350 -0.594 9.904 1.00 0.00 N ATOM 487 CA ALA A 33 -4.888 0.039 8.706 1.00 0.00 C ATOM 488 C ALA A 33 -6.154 0.831 9.012 1.00 0.00 C ATOM 489 O ALA A 33 -6.252 2.011 8.679 1.00 0.00 O ATOM 490 CB ALA A 33 -5.164 -1.007 7.638 1.00 0.00 C ATOM 0 H ALA A 33 -4.330 -1.613 9.872 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.140 0.740 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.565 -0.522 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.237 -1.521 7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.888 -1.730 8.015 1.00 0.00 H new ATOM 496 N LYS A 34 -7.132 0.168 9.628 1.00 0.00 N ATOM 497 CA LYS A 34 -8.406 0.800 9.959 1.00 0.00 C ATOM 498 C LYS A 34 -8.218 2.221 10.501 1.00 0.00 C ATOM 499 O LYS A 34 -8.559 3.194 9.834 1.00 0.00 O ATOM 500 CB LYS A 34 -9.169 -0.046 10.987 1.00 0.00 C ATOM 501 CG LYS A 34 -10.218 -0.968 10.374 1.00 0.00 C ATOM 502 CD LYS A 34 -11.627 -0.592 10.811 1.00 0.00 C ATOM 503 CE LYS A 34 -12.651 -0.905 9.727 1.00 0.00 C ATOM 504 NZ LYS A 34 -13.863 -1.569 10.282 1.00 0.00 N ATOM 0 H LYS A 34 -7.065 -0.810 9.908 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.983 0.866 9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.455 -0.648 11.549 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.656 0.619 11.700 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.151 -0.923 9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.010 -1.998 10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.883 -1.133 11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.663 0.471 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.941 0.018 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.197 -1.549 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.535 -1.765 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.591 -2.462 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.311 -0.944 10.982 1.00 0.00 H new ATOM 518 N ASP A 35 -7.681 2.322 11.715 1.00 0.00 N ATOM 519 CA ASP A 35 -7.457 3.613 12.376 1.00 0.00 C ATOM 520 C ASP A 35 -7.098 4.728 11.394 1.00 0.00 C ATOM 521 O ASP A 35 -7.881 5.644 11.188 1.00 0.00 O ATOM 522 CB ASP A 35 -6.352 3.479 13.421 1.00 0.00 C ATOM 523 CG ASP A 35 -6.605 2.341 14.391 1.00 0.00 C ATOM 524 OD1 ASP A 35 -7.249 2.582 15.434 1.00 0.00 O ATOM 525 OD2 ASP A 35 -6.161 1.210 14.106 1.00 0.00 O ATOM 0 H ASP A 35 -7.389 1.517 12.269 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.397 3.891 12.852 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.398 3.318 12.918 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.266 4.413 13.976 1.00 0.00 H new ATOM 530 N GLY A 36 -5.914 4.650 10.801 1.00 0.00 N ATOM 531 CA GLY A 36 -5.470 5.666 9.856 1.00 0.00 C ATOM 532 C GLY A 36 -6.563 6.106 8.899 1.00 0.00 C ATOM 533 O GLY A 36 -7.292 7.056 9.181 1.00 0.00 O ATOM 0 H GLY A 36 -5.245 3.896 10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.107 6.533 10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.628 5.278 9.283 1.00 0.00 H new ATOM 537 N LEU A 37 -6.671 5.416 7.765 1.00 0.00 N ATOM 538 CA LEU A 37 -7.672 5.732 6.755 1.00 0.00 C ATOM 539 C LEU A 37 -9.019 6.111 7.379 1.00 0.00 C ATOM 540 O LEU A 37 -9.752 6.920 6.827 1.00 0.00 O ATOM 541 CB LEU A 37 -7.827 4.541 5.808 1.00 0.00 C ATOM 542 CG LEU A 37 -9.129 4.485 5.005 1.00 0.00 C ATOM 543 CD1 LEU A 37 -9.498 5.856 4.467 1.00 0.00 C ATOM 544 CD2 LEU A 37 -8.991 3.488 3.869 1.00 0.00 C ATOM 0 H LEU A 37 -6.070 4.628 7.524 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.331 6.603 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.992 4.548 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.745 3.625 6.393 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.931 4.161 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.427 5.787 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.630 6.549 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.702 6.218 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.921 3.452 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.176 3.795 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.777 2.500 4.276 1.00 0.00 H new ATOM 556 N THR A 38 -9.345 5.541 8.531 1.00 0.00 N ATOM 557 CA THR A 38 -10.607 5.862 9.191 1.00 0.00 C ATOM 558 C THR A 38 -10.487 7.169 9.968 1.00 0.00 C ATOM 559 O THR A 38 -11.347 8.041 9.882 1.00 0.00 O ATOM 560 CB THR A 38 -11.027 4.720 10.121 1.00 0.00 C ATOM 561 OG1 THR A 38 -12.280 4.192 9.729 1.00 0.00 O ATOM 562 CG2 THR A 38 -11.135 5.111 11.575 1.00 0.00 C ATOM 0 H THR A 38 -8.764 4.863 9.024 1.00 0.00 H new ATOM 0 HA THR A 38 -11.375 5.987 8.428 1.00 0.00 H new ATOM 0 HB THR A 38 -10.230 3.982 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.815 3.993 10.526 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.437 4.245 12.163 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.168 5.470 11.928 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.878 5.901 11.685 1.00 0.00 H new ATOM 570 N VAL A 39 -9.406 7.287 10.722 1.00 0.00 N ATOM 571 CA VAL A 39 -9.134 8.472 11.522 1.00 0.00 C ATOM 572 C VAL A 39 -9.244 9.722 10.669 1.00 0.00 C ATOM 573 O VAL A 39 -9.658 10.781 11.142 1.00 0.00 O ATOM 574 CB VAL A 39 -7.734 8.362 12.160 1.00 0.00 C ATOM 575 CG1 VAL A 39 -7.209 9.704 12.646 1.00 0.00 C ATOM 576 CG2 VAL A 39 -7.780 7.358 13.294 1.00 0.00 C ATOM 0 H VAL A 39 -8.691 6.563 10.797 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.874 8.542 12.319 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.039 8.021 11.393 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.221 9.570 13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.141 10.394 11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.888 10.111 13.395 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.793 7.277 13.748 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.498 7.689 14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.082 6.385 12.907 1.00 0.00 H new ATOM 586 N GLU A 40 -8.913 9.577 9.396 1.00 0.00 N ATOM 587 CA GLU A 40 -9.019 10.678 8.463 1.00 0.00 C ATOM 588 C GLU A 40 -10.463 10.788 8.009 1.00 0.00 C ATOM 589 O GLU A 40 -10.952 11.877 7.750 1.00 0.00 O ATOM 590 CB GLU A 40 -8.092 10.479 7.270 1.00 0.00 C ATOM 591 CG GLU A 40 -8.151 9.083 6.688 1.00 0.00 C ATOM 592 CD GLU A 40 -8.845 9.038 5.342 1.00 0.00 C ATOM 593 OE1 GLU A 40 -10.058 9.328 5.292 1.00 0.00 O ATOM 594 OE2 GLU A 40 -8.177 8.711 4.339 1.00 0.00 O ATOM 0 H GLU A 40 -8.569 8.707 8.989 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.715 11.601 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.351 11.199 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.068 10.694 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.138 8.695 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.673 8.426 7.383 1.00 0.00 H new ATOM 601 N ILE A 41 -11.151 9.642 7.956 1.00 0.00 N ATOM 602 CA ILE A 41 -12.557 9.615 7.582 1.00 0.00 C ATOM 603 C ILE A 41 -13.372 10.255 8.691 1.00 0.00 C ATOM 604 O ILE A 41 -14.056 11.255 8.469 1.00 0.00 O ATOM 605 CB ILE A 41 -13.066 8.180 7.325 1.00 0.00 C ATOM 606 CG1 ILE A 41 -12.387 7.593 6.090 1.00 0.00 C ATOM 607 CG2 ILE A 41 -14.580 8.164 7.150 1.00 0.00 C ATOM 608 CD1 ILE A 41 -12.626 8.389 4.830 1.00 0.00 C ATOM 0 H ILE A 41 -10.753 8.727 8.168 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.670 10.170 6.651 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.815 7.568 8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.314 7.530 6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.745 6.575 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.915 7.142 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -15.055 8.548 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.855 8.790 6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.113 7.911 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.695 8.430 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.242 9.401 4.961 1.00 0.00 H new ATOM 620 N ASN A 42 -13.270 9.700 9.903 1.00 0.00 N ATOM 621 CA ASN A 42 -13.978 10.266 11.044 1.00 0.00 C ATOM 622 C ASN A 42 -13.720 11.769 11.098 1.00 0.00 C ATOM 623 O ASN A 42 -14.611 12.560 11.410 1.00 0.00 O ATOM 624 CB ASN A 42 -13.509 9.620 12.351 1.00 0.00 C ATOM 625 CG ASN A 42 -13.414 8.110 12.263 1.00 0.00 C ATOM 626 OD1 ASN A 42 -13.964 7.491 11.352 1.00 0.00 O ATOM 627 ND2 ASN A 42 -12.710 7.510 13.218 1.00 0.00 N ATOM 0 H ASN A 42 -12.712 8.872 10.113 1.00 0.00 H new ATOM 0 HA ASN A 42 -15.044 10.072 10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.534 10.025 12.621 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.198 9.889 13.151 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.608 6.495 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.272 8.065 13.953 1.00 0.00 H new ATOM 634 N LYS A 43 -12.479 12.143 10.792 1.00 0.00 N ATOM 635 CA LYS A 43 -12.068 13.547 10.801 1.00 0.00 C ATOM 636 C LYS A 43 -12.332 14.249 9.460 1.00 0.00 C ATOM 637 O LYS A 43 -12.356 15.478 9.397 1.00 0.00 O ATOM 638 CB LYS A 43 -10.582 13.645 11.137 1.00 0.00 C ATOM 639 CG LYS A 43 -10.142 15.038 11.557 1.00 0.00 C ATOM 640 CD LYS A 43 -8.628 15.172 11.544 1.00 0.00 C ATOM 641 CE LYS A 43 -8.136 15.816 10.258 1.00 0.00 C ATOM 642 NZ LYS A 43 -6.792 16.434 10.425 1.00 0.00 N ATOM 0 H LYS A 43 -11.738 11.491 10.534 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.667 14.052 11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.353 12.944 11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.001 13.336 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.579 15.777 10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.519 15.254 12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.307 15.770 12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.174 14.188 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.095 15.065 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.848 16.577 9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.522 16.920 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.820 17.120 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.094 15.694 10.639 1.00 0.00 H new ATOM 656 N ALA A 44 -12.503 13.479 8.388 1.00 0.00 N ATOM 657 CA ALA A 44 -12.738 14.053 7.062 1.00 0.00 C ATOM 658 C ALA A 44 -14.172 14.531 6.902 1.00 0.00 C ATOM 659 O ALA A 44 -14.416 15.710 6.660 1.00 0.00 O ATOM 660 CB ALA A 44 -12.411 13.044 5.973 1.00 0.00 C ATOM 0 H ALA A 44 -12.484 12.459 8.409 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.078 14.915 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.593 13.492 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.363 12.753 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.042 12.163 6.092 1.00 0.00 H new ATOM 666 N GLU A 45 -15.118 13.606 7.027 1.00 0.00 N ATOM 667 CA GLU A 45 -16.533 13.936 6.887 1.00 0.00 C ATOM 668 C GLU A 45 -16.890 15.175 7.698 1.00 0.00 C ATOM 669 O GLU A 45 -17.685 16.007 7.258 1.00 0.00 O ATOM 670 CB GLU A 45 -17.391 12.755 7.325 1.00 0.00 C ATOM 671 CG GLU A 45 -17.186 11.523 6.467 1.00 0.00 C ATOM 672 CD GLU A 45 -17.147 10.246 7.284 1.00 0.00 C ATOM 673 OE1 GLU A 45 -16.238 10.111 8.129 1.00 0.00 O ATOM 674 OE2 GLU A 45 -18.027 9.384 7.080 1.00 0.00 O ATOM 0 H GLU A 45 -14.931 12.623 7.225 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.730 14.151 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.161 12.511 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.441 13.044 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.990 11.457 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.254 11.623 5.910 1.00 0.00 H new ATOM 681 N GLU A 46 -16.287 15.304 8.875 1.00 0.00 N ATOM 682 CA GLU A 46 -16.534 16.458 9.727 1.00 0.00 C ATOM 683 C GLU A 46 -16.177 17.742 8.986 1.00 0.00 C ATOM 684 O GLU A 46 -16.682 18.815 9.307 1.00 0.00 O ATOM 685 CB GLU A 46 -15.738 16.349 11.034 1.00 0.00 C ATOM 686 CG GLU A 46 -14.257 16.665 10.887 1.00 0.00 C ATOM 687 CD GLU A 46 -13.837 17.881 11.690 1.00 0.00 C ATOM 688 OE1 GLU A 46 -14.231 19.006 11.317 1.00 0.00 O ATOM 689 OE2 GLU A 46 -13.113 17.707 12.694 1.00 0.00 O ATOM 0 H GLU A 46 -15.627 14.627 9.258 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.594 16.483 9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.172 17.027 11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.846 15.339 11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.672 15.803 11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.028 16.832 9.835 1.00 0.00 H new ATOM 696 N VAL A 47 -15.310 17.611 7.978 1.00 0.00 N ATOM 697 CA VAL A 47 -14.890 18.744 7.166 1.00 0.00 C ATOM 698 C VAL A 47 -15.736 18.825 5.899 1.00 0.00 C ATOM 699 O VAL A 47 -16.209 19.898 5.522 1.00 0.00 O ATOM 700 CB VAL A 47 -13.380 18.665 6.812 1.00 0.00 C ATOM 701 CG1 VAL A 47 -13.108 18.923 5.331 1.00 0.00 C ATOM 702 CG2 VAL A 47 -12.613 19.667 7.648 1.00 0.00 C ATOM 0 H VAL A 47 -14.886 16.723 7.708 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.041 19.651 7.751 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.049 17.650 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.037 18.855 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.631 18.179 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.462 19.919 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.553 19.612 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.982 20.672 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.751 19.440 8.705 1.00 0.00 H new ATOM 712 N PHE A 48 -15.930 17.680 5.249 1.00 0.00 N ATOM 713 CA PHE A 48 -16.724 17.615 4.025 1.00 0.00 C ATOM 714 C PHE A 48 -18.063 18.319 4.210 1.00 0.00 C ATOM 715 O PHE A 48 -18.467 19.139 3.385 1.00 0.00 O ATOM 716 CB PHE A 48 -16.955 16.158 3.617 1.00 0.00 C ATOM 717 CG PHE A 48 -17.872 15.999 2.435 1.00 0.00 C ATOM 718 CD1 PHE A 48 -17.764 16.841 1.339 1.00 0.00 C ATOM 719 CD2 PHE A 48 -18.844 15.012 2.423 1.00 0.00 C ATOM 720 CE1 PHE A 48 -18.608 16.700 0.254 1.00 0.00 C ATOM 721 CE2 PHE A 48 -19.691 14.866 1.342 1.00 0.00 C ATOM 722 CZ PHE A 48 -19.573 15.711 0.255 1.00 0.00 C ATOM 0 H PHE A 48 -15.548 16.784 5.550 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.170 18.123 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.994 15.698 3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.372 15.614 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.012 17.616 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.941 14.348 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -18.514 17.362 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -20.445 14.092 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 48 -20.234 15.599 -0.592 1.00 0.00 H new ATOM 732 N ASN A 49 -18.748 17.992 5.300 1.00 0.00 N ATOM 733 CA ASN A 49 -20.041 18.593 5.592 1.00 0.00 C ATOM 734 C ASN A 49 -19.888 19.849 6.447 1.00 0.00 C ATOM 735 O ASN A 49 -20.880 20.432 6.885 1.00 0.00 O ATOM 736 CB ASN A 49 -20.943 17.584 6.307 1.00 0.00 C ATOM 737 CG ASN A 49 -21.028 16.261 5.572 1.00 0.00 C ATOM 738 OD1 ASN A 49 -21.692 16.151 4.542 1.00 0.00 O ATOM 739 ND2 ASN A 49 -20.351 15.247 6.100 1.00 0.00 N ATOM 0 H ASN A 49 -18.429 17.316 5.994 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.499 18.879 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.564 17.413 7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.943 18.004 6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.369 14.332 5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.813 15.383 6.956 1.00 0.00 H new ATOM 746 N LYS A 50 -18.644 20.262 6.693 1.00 0.00 N ATOM 747 CA LYS A 50 -18.392 21.450 7.509 1.00 0.00 C ATOM 748 C LYS A 50 -18.540 22.733 6.697 1.00 0.00 C ATOM 749 O LYS A 50 -18.613 22.700 5.468 1.00 0.00 O ATOM 750 CB LYS A 50 -16.989 21.386 8.101 1.00 0.00 C ATOM 751 CG LYS A 50 -16.906 21.848 9.547 1.00 0.00 C ATOM 752 CD LYS A 50 -15.462 21.938 10.016 1.00 0.00 C ATOM 753 CE LYS A 50 -15.039 23.379 10.251 1.00 0.00 C ATOM 754 NZ LYS A 50 -15.610 23.928 11.511 1.00 0.00 N ATOM 0 H LYS A 50 -17.805 19.798 6.344 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.134 21.465 8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.625 20.361 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.322 22.000 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.385 22.822 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.455 21.155 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.342 21.368 10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.808 21.483 9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.951 23.436 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.360 23.993 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.075 24.837 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.307 23.259 11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.848 24.072 12.204 1.00 0.00 H new ATOM 768 N GLU A 51 -18.568 23.863 7.399 1.00 0.00 N ATOM 769 CA GLU A 51 -18.687 25.164 6.755 1.00 0.00 C ATOM 770 C GLU A 51 -17.321 25.792 6.574 1.00 0.00 C ATOM 771 O GLU A 51 -17.096 26.543 5.626 1.00 0.00 O ATOM 772 CB GLU A 51 -19.598 26.090 7.565 1.00 0.00 C ATOM 773 CG GLU A 51 -21.073 25.742 7.456 1.00 0.00 C ATOM 774 CD GLU A 51 -21.973 26.941 7.679 1.00 0.00 C ATOM 775 OE1 GLU A 51 -21.795 27.633 8.703 1.00 0.00 O ATOM 776 OE2 GLU A 51 -22.855 27.188 6.831 1.00 0.00 O ATOM 0 H GLU A 51 -18.510 23.902 8.417 1.00 0.00 H new ATOM 0 HA GLU A 51 -19.135 25.018 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.301 26.052 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.450 27.116 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.271 25.322 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -21.315 24.970 8.186 1.00 0.00 H new ATOM 783 N ASP A 52 -16.391 25.456 7.462 1.00 0.00 N ATOM 784 CA ASP A 52 -15.043 25.979 7.341 1.00 0.00 C ATOM 785 C ASP A 52 -14.210 25.074 6.456 1.00 0.00 C ATOM 786 O ASP A 52 -12.986 25.190 6.409 1.00 0.00 O ATOM 787 CB ASP A 52 -14.361 26.155 8.696 1.00 0.00 C ATOM 788 CG ASP A 52 -15.316 26.616 9.779 1.00 0.00 C ATOM 789 OD1 ASP A 52 -16.328 25.922 10.014 1.00 0.00 O ATOM 790 OD2 ASP A 52 -15.051 27.670 10.395 1.00 0.00 O ATOM 0 H ASP A 52 -16.545 24.836 8.257 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.122 26.967 6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.909 25.210 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.552 26.879 8.599 1.00 0.00 H new ATOM 795 N ALA A 53 -14.883 24.205 5.709 1.00 0.00 N ATOM 796 CA ALA A 53 -14.212 23.325 4.783 1.00 0.00 C ATOM 797 C ALA A 53 -13.853 24.138 3.559 1.00 0.00 C ATOM 798 O ALA A 53 -14.130 23.761 2.423 1.00 0.00 O ATOM 799 CB ALA A 53 -15.090 22.135 4.430 1.00 0.00 C ATOM 0 H ALA A 53 -15.897 24.098 5.733 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.307 22.915 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.561 21.487 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.326 21.576 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.013 22.488 3.970 1.00 0.00 H new ATOM 805 N THR A 54 -13.258 25.287 3.837 1.00 0.00 N ATOM 806 CA THR A 54 -12.845 26.237 2.826 1.00 0.00 C ATOM 807 C THR A 54 -11.373 26.051 2.483 1.00 0.00 C ATOM 808 O THR A 54 -10.923 24.947 2.183 1.00 0.00 O ATOM 809 CB THR A 54 -13.132 27.657 3.332 1.00 0.00 C ATOM 810 OG1 THR A 54 -12.161 28.061 4.282 1.00 0.00 O ATOM 811 CG2 THR A 54 -14.492 27.793 3.986 1.00 0.00 C ATOM 0 H THR A 54 -13.047 25.587 4.789 1.00 0.00 H new ATOM 0 HA THR A 54 -13.410 26.069 1.909 1.00 0.00 H new ATOM 0 HB THR A 54 -13.103 28.290 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.928 29.001 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.633 28.820 4.322 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.269 27.537 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.553 27.120 4.841 1.00 0.00 H new ATOM 819 N GLU A 55 -10.638 27.135 2.519 1.00 0.00 N ATOM 820 CA GLU A 55 -9.216 27.109 2.205 1.00 0.00 C ATOM 821 C GLU A 55 -8.376 26.700 3.415 1.00 0.00 C ATOM 822 O GLU A 55 -7.191 26.406 3.278 1.00 0.00 O ATOM 823 CB GLU A 55 -8.764 28.480 1.696 1.00 0.00 C ATOM 824 CG GLU A 55 -8.596 28.543 0.187 1.00 0.00 C ATOM 825 CD GLU A 55 -8.902 29.917 -0.377 1.00 0.00 C ATOM 826 OE1 GLU A 55 -8.834 30.901 0.390 1.00 0.00 O ATOM 827 OE2 GLU A 55 -9.210 30.008 -1.583 1.00 0.00 O ATOM 0 H GLU A 55 -10.998 28.058 2.764 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.064 26.362 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.492 29.231 2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.818 28.740 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.574 28.267 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.253 27.808 -0.279 1.00 0.00 H new ATOM 834 N GLU A 56 -8.982 26.704 4.600 1.00 0.00 N ATOM 835 CA GLU A 56 -8.264 26.349 5.822 1.00 0.00 C ATOM 836 C GLU A 56 -8.468 24.887 6.231 1.00 0.00 C ATOM 837 O GLU A 56 -7.546 24.074 6.155 1.00 0.00 O ATOM 838 CB GLU A 56 -8.695 27.264 6.970 1.00 0.00 C ATOM 839 CG GLU A 56 -7.541 28.016 7.612 1.00 0.00 C ATOM 840 CD GLU A 56 -6.726 28.804 6.605 1.00 0.00 C ATOM 841 OE1 GLU A 56 -7.318 29.632 5.881 1.00 0.00 O ATOM 842 OE2 GLU A 56 -5.497 28.594 6.539 1.00 0.00 O ATOM 0 H GLU A 56 -9.963 26.948 4.740 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.203 26.482 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.424 27.983 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.197 26.667 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.932 28.696 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.891 27.307 8.125 1.00 0.00 H new ATOM 849 N GLU A 57 -9.669 24.583 6.713 1.00 0.00 N ATOM 850 CA GLU A 57 -10.004 23.243 7.200 1.00 0.00 C ATOM 851 C GLU A 57 -9.729 22.129 6.188 1.00 0.00 C ATOM 852 O GLU A 57 -9.252 21.058 6.562 1.00 0.00 O ATOM 853 CB GLU A 57 -11.471 23.200 7.629 1.00 0.00 C ATOM 854 CG GLU A 57 -11.732 22.282 8.811 1.00 0.00 C ATOM 855 CD GLU A 57 -11.374 22.924 10.137 1.00 0.00 C ATOM 856 OE1 GLU A 57 -11.343 24.171 10.204 1.00 0.00 O ATOM 857 OE2 GLU A 57 -11.125 22.180 11.109 1.00 0.00 O ATOM 0 H GLU A 57 -10.436 25.252 6.778 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.348 23.054 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.796 24.209 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.078 22.873 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.784 21.999 8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.156 21.365 8.688 1.00 0.00 H new ATOM 864 N ILE A 58 -10.048 22.358 4.920 1.00 0.00 N ATOM 865 CA ILE A 58 -9.845 21.334 3.895 1.00 0.00 C ATOM 866 C ILE A 58 -8.406 20.842 3.861 1.00 0.00 C ATOM 867 O ILE A 58 -8.146 19.666 4.093 1.00 0.00 O ATOM 868 CB ILE A 58 -10.234 21.842 2.500 1.00 0.00 C ATOM 869 CG1 ILE A 58 -11.677 22.342 2.520 1.00 0.00 C ATOM 870 CG2 ILE A 58 -10.052 20.744 1.457 1.00 0.00 C ATOM 871 CD1 ILE A 58 -12.224 22.711 1.159 1.00 0.00 C ATOM 0 H ILE A 58 -10.444 23.233 4.576 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.496 20.503 4.166 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.579 22.670 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.311 21.571 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.739 23.213 3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.333 21.125 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.009 20.429 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.684 19.893 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.253 23.056 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.616 23.506 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.197 21.838 0.507 1.00 0.00 H new ATOM 883 N ASN A 59 -7.472 21.741 3.566 1.00 0.00 N ATOM 884 CA ASN A 59 -6.053 21.369 3.502 1.00 0.00 C ATOM 885 C ASN A 59 -5.671 20.518 4.708 1.00 0.00 C ATOM 886 O ASN A 59 -4.823 19.631 4.617 1.00 0.00 O ATOM 887 CB ASN A 59 -5.134 22.601 3.441 1.00 0.00 C ATOM 888 CG ASN A 59 -5.881 23.918 3.405 1.00 0.00 C ATOM 889 OD1 ASN A 59 -6.755 24.126 2.563 1.00 0.00 O ATOM 890 ND2 ASN A 59 -5.538 24.814 4.322 1.00 0.00 N ATOM 0 H ASN A 59 -7.664 22.723 3.369 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.916 20.796 2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.472 22.593 4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.502 22.528 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.005 25.720 4.349 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.807 24.596 5.000 1.00 0.00 H new ATOM 897 N LEU A 60 -6.312 20.801 5.834 1.00 0.00 N ATOM 898 CA LEU A 60 -6.054 20.076 7.068 1.00 0.00 C ATOM 899 C LEU A 60 -6.745 18.714 7.063 1.00 0.00 C ATOM 900 O LEU A 60 -6.252 17.759 7.665 1.00 0.00 O ATOM 901 CB LEU A 60 -6.522 20.900 8.268 1.00 0.00 C ATOM 902 CG LEU A 60 -6.113 22.376 8.239 1.00 0.00 C ATOM 903 CD1 LEU A 60 -7.104 23.228 9.021 1.00 0.00 C ATOM 904 CD2 LEU A 60 -4.705 22.548 8.792 1.00 0.00 C ATOM 0 H LEU A 60 -7.018 21.532 5.917 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.980 19.909 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.609 20.841 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.127 20.447 9.177 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.121 22.713 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.793 24.272 8.986 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.096 23.130 8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.134 22.892 10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.430 23.602 8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.672 22.191 9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.004 21.974 8.187 1.00 0.00 H new ATOM 916 N ALA A 61 -7.892 18.624 6.390 1.00 0.00 N ATOM 917 CA ALA A 61 -8.640 17.371 6.326 1.00 0.00 C ATOM 918 C ALA A 61 -8.336 16.584 5.049 1.00 0.00 C ATOM 919 O ALA A 61 -8.695 15.413 4.931 1.00 0.00 O ATOM 920 CB ALA A 61 -10.126 17.663 6.412 1.00 0.00 C ATOM 0 H ALA A 61 -8.321 19.399 5.885 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.331 16.754 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.684 16.728 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.344 18.168 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.420 18.304 5.580 1.00 0.00 H new ATOM 926 N LYS A 62 -7.699 17.244 4.091 1.00 0.00 N ATOM 927 CA LYS A 62 -7.369 16.627 2.809 1.00 0.00 C ATOM 928 C LYS A 62 -6.167 15.688 2.902 1.00 0.00 C ATOM 929 O LYS A 62 -6.281 14.495 2.627 1.00 0.00 O ATOM 930 CB LYS A 62 -7.093 17.714 1.770 1.00 0.00 C ATOM 931 CG LYS A 62 -8.068 17.698 0.610 1.00 0.00 C ATOM 932 CD LYS A 62 -7.803 18.840 -0.358 1.00 0.00 C ATOM 933 CE LYS A 62 -6.732 18.474 -1.373 1.00 0.00 C ATOM 934 NZ LYS A 62 -6.567 19.529 -2.410 1.00 0.00 N ATOM 0 H LYS A 62 -7.398 18.215 4.177 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.227 16.026 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.133 18.689 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.080 17.591 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.991 16.747 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.087 17.771 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.725 19.099 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.492 19.724 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.783 18.318 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.994 17.531 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.721 19.326 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.404 19.544 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.460 20.455 -1.949 1.00 0.00 H new ATOM 948 N GLU A 63 -5.012 16.241 3.261 1.00 0.00 N ATOM 949 CA GLU A 63 -3.776 15.463 3.360 1.00 0.00 C ATOM 950 C GLU A 63 -3.998 14.105 4.030 1.00 0.00 C ATOM 951 O GLU A 63 -3.676 13.062 3.463 1.00 0.00 O ATOM 952 CB GLU A 63 -2.716 16.252 4.129 1.00 0.00 C ATOM 953 CG GLU A 63 -1.302 16.038 3.612 1.00 0.00 C ATOM 954 CD GLU A 63 -0.494 17.321 3.578 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.368 17.972 4.636 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.014 17.673 2.493 1.00 0.00 O ATOM 0 H GLU A 63 -4.904 17.229 3.490 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.431 15.276 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.956 17.314 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.756 15.968 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.794 15.310 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.346 15.614 2.609 1.00 0.00 H new ATOM 963 N SER A 64 -4.544 14.129 5.240 1.00 0.00 N ATOM 964 CA SER A 64 -4.807 12.915 5.995 1.00 0.00 C ATOM 965 C SER A 64 -5.858 12.048 5.311 1.00 0.00 C ATOM 966 O SER A 64 -6.058 10.905 5.690 1.00 0.00 O ATOM 967 CB SER A 64 -5.263 13.261 7.413 1.00 0.00 C ATOM 968 OG SER A 64 -6.278 14.251 7.394 1.00 0.00 O ATOM 0 H SER A 64 -4.815 14.987 5.721 1.00 0.00 H new ATOM 0 HA SER A 64 -3.878 12.347 6.042 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.635 12.364 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.413 13.618 7.995 1.00 0.00 H new ATOM 0 HG SER A 64 -6.331 14.682 8.273 1.00 0.00 H new ATOM 974 N LEU A 65 -6.542 12.594 4.315 1.00 0.00 N ATOM 975 CA LEU A 65 -7.574 11.845 3.613 1.00 0.00 C ATOM 976 C LEU A 65 -7.016 11.149 2.375 1.00 0.00 C ATOM 977 O LEU A 65 -7.256 9.962 2.159 1.00 0.00 O ATOM 978 CB LEU A 65 -8.720 12.775 3.222 1.00 0.00 C ATOM 979 CG LEU A 65 -9.832 12.125 2.401 1.00 0.00 C ATOM 980 CD1 LEU A 65 -10.259 10.801 3.017 1.00 0.00 C ATOM 981 CD2 LEU A 65 -11.015 13.067 2.293 1.00 0.00 C ATOM 0 H LEU A 65 -6.402 13.546 3.977 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.948 11.075 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.156 13.190 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.311 13.611 2.654 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.450 11.922 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.052 10.358 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.406 10.123 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.626 10.972 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.803 12.595 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.392 13.294 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.702 13.990 1.805 1.00 0.00 H new ATOM 993 N GLU A 66 -6.276 11.893 1.560 1.00 0.00 N ATOM 994 CA GLU A 66 -5.696 11.341 0.342 1.00 0.00 C ATOM 995 C GLU A 66 -4.441 10.530 0.649 1.00 0.00 C ATOM 996 O GLU A 66 -4.246 9.443 0.105 1.00 0.00 O ATOM 997 CB GLU A 66 -5.364 12.461 -0.646 1.00 0.00 C ATOM 998 CG GLU A 66 -4.272 13.400 -0.161 1.00 0.00 C ATOM 999 CD GLU A 66 -2.882 12.913 -0.519 1.00 0.00 C ATOM 1000 OE1 GLU A 66 -2.709 12.378 -1.635 1.00 0.00 O ATOM 1001 OE2 GLU A 66 -1.966 13.064 0.316 1.00 0.00 O ATOM 0 H GLU A 66 -6.064 12.878 1.721 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.433 10.676 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.056 12.018 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.267 13.039 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.429 14.388 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.347 13.510 0.921 1.00 0.00 H new ATOM 1008 N GLY A 67 -3.594 11.063 1.523 1.00 0.00 N ATOM 1009 CA GLY A 67 -2.371 10.372 1.884 1.00 0.00 C ATOM 1010 C GLY A 67 -2.609 9.227 2.852 1.00 0.00 C ATOM 1011 O GLY A 67 -1.695 8.454 3.141 1.00 0.00 O ATOM 0 H GLY A 67 -3.733 11.961 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.896 9.987 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.676 11.082 2.332 1.00 0.00 H new ATOM 1015 N ALA A 68 -3.835 9.116 3.355 1.00 0.00 N ATOM 1016 CA ALA A 68 -4.178 8.058 4.295 1.00 0.00 C ATOM 1017 C ALA A 68 -4.817 6.872 3.585 1.00 0.00 C ATOM 1018 O ALA A 68 -4.479 5.722 3.860 1.00 0.00 O ATOM 1019 CB ALA A 68 -5.097 8.592 5.373 1.00 0.00 C ATOM 0 H ALA A 68 -4.605 9.745 3.127 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.257 7.708 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.346 7.791 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.597 9.398 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.011 8.973 4.916 1.00 0.00 H new ATOM 1025 N ILE A 69 -5.723 7.146 2.647 1.00 0.00 N ATOM 1026 CA ILE A 69 -6.360 6.084 1.895 1.00 0.00 C ATOM 1027 C ILE A 69 -5.291 5.356 1.118 1.00 0.00 C ATOM 1028 O ILE A 69 -5.264 4.129 1.044 1.00 0.00 O ATOM 1029 CB ILE A 69 -7.409 6.618 0.897 1.00 0.00 C ATOM 1030 CG1 ILE A 69 -6.812 7.724 0.017 1.00 0.00 C ATOM 1031 CG2 ILE A 69 -8.637 7.119 1.629 1.00 0.00 C ATOM 1032 CD1 ILE A 69 -7.827 8.394 -0.890 1.00 0.00 C ATOM 0 H ILE A 69 -6.025 8.087 2.397 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.874 5.430 2.600 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.710 5.795 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.355 8.479 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.015 7.300 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.364 7.491 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.078 6.302 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.353 7.924 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.333 9.165 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.267 7.651 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.612 8.848 -0.285 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.393 6.152 0.553 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.284 5.626 -0.216 1.00 0.00 C ATOM 1046 C ALA A 70 -2.468 4.650 0.624 1.00 0.00 C ATOM 1047 O ALA A 70 -1.833 3.738 0.094 1.00 0.00 O ATOM 1048 CB ALA A 70 -2.410 6.762 -0.725 1.00 0.00 C ATOM 0 H ALA A 70 -4.416 7.170 0.616 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.680 5.085 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.580 6.353 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.003 7.421 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.020 7.328 0.121 1.00 0.00 H new ATOM 1054 N ARG A 71 -2.501 4.842 1.941 1.00 0.00 N ATOM 1055 CA ARG A 71 -1.777 3.973 2.856 1.00 0.00 C ATOM 1056 C ARG A 71 -2.518 2.653 3.031 1.00 0.00 C ATOM 1057 O ARG A 71 -1.977 1.588 2.731 1.00 0.00 O ATOM 1058 CB ARG A 71 -1.585 4.654 4.213 1.00 0.00 C ATOM 1059 CG ARG A 71 -0.471 5.688 4.221 1.00 0.00 C ATOM 1060 CD ARG A 71 0.862 5.074 3.824 1.00 0.00 C ATOM 1061 NE ARG A 71 1.975 5.651 4.572 1.00 0.00 N ATOM 1062 CZ ARG A 71 2.413 6.897 4.408 1.00 0.00 C ATOM 1063 NH1 ARG A 71 1.835 7.699 3.524 1.00 0.00 N ATOM 1064 NH2 ARG A 71 3.433 7.341 5.130 1.00 0.00 N ATOM 0 H ARG A 71 -3.022 5.592 2.395 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.794 3.771 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.519 5.135 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.370 3.894 4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.719 6.497 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.389 6.128 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.830 3.998 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.026 5.223 2.757 1.00 0.00 H new ATOM 0 HE ARG A 71 2.445 5.064 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.051 7.362 2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.175 8.653 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.881 6.728 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.769 8.296 5.005 1.00 0.00 H new ATOM 1078 N PHE A 72 -3.760 2.720 3.514 1.00 0.00 N ATOM 1079 CA PHE A 72 -4.556 1.524 3.716 1.00 0.00 C ATOM 1080 C PHE A 72 -4.605 0.663 2.454 1.00 0.00 C ATOM 1081 O PHE A 72 -4.439 -0.554 2.519 1.00 0.00 O ATOM 1082 CB PHE A 72 -5.975 1.902 4.129 1.00 0.00 C ATOM 1083 CG PHE A 72 -6.723 0.749 4.714 1.00 0.00 C ATOM 1084 CD1 PHE A 72 -6.960 -0.383 3.958 1.00 0.00 C ATOM 1085 CD2 PHE A 72 -7.172 0.786 6.023 1.00 0.00 C ATOM 1086 CE1 PHE A 72 -7.629 -1.455 4.490 1.00 0.00 C ATOM 1087 CE2 PHE A 72 -7.849 -0.289 6.563 1.00 0.00 C ATOM 1088 CZ PHE A 72 -8.077 -1.413 5.795 1.00 0.00 C ATOM 0 H PHE A 72 -4.228 3.589 3.769 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.084 0.943 4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.935 2.713 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.515 2.279 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.614 -0.424 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.991 1.663 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.806 -2.334 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.199 -0.251 7.584 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.604 -2.257 6.214 1.00 0.00 H new ATOM 1098 N ASN A 73 -4.851 1.305 1.315 1.00 0.00 N ATOM 1099 CA ASN A 73 -4.943 0.609 0.030 1.00 0.00 C ATOM 1100 C ASN A 73 -3.915 -0.513 -0.083 1.00 0.00 C ATOM 1101 O ASN A 73 -4.203 -1.580 -0.624 1.00 0.00 O ATOM 1102 CB ASN A 73 -4.757 1.599 -1.122 1.00 0.00 C ATOM 1103 CG ASN A 73 -5.849 2.649 -1.161 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -6.933 2.454 -0.612 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -5.569 3.773 -1.812 1.00 0.00 N ATOM 0 H ASN A 73 -4.991 2.313 1.254 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.935 0.162 -0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.788 2.089 -1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.745 1.055 -2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.266 4.516 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.657 3.893 -2.253 1.00 0.00 H new ATOM 1112 N SER A 74 -2.715 -0.264 0.427 1.00 0.00 N ATOM 1113 CA SER A 74 -1.648 -1.256 0.376 1.00 0.00 C ATOM 1114 C SER A 74 -1.381 -1.864 1.752 1.00 0.00 C ATOM 1115 O SER A 74 -0.227 -2.047 2.141 1.00 0.00 O ATOM 1116 CB SER A 74 -0.367 -0.626 -0.173 1.00 0.00 C ATOM 1117 OG SER A 74 0.067 0.445 0.648 1.00 0.00 O ATOM 0 H SER A 74 -2.457 0.613 0.879 1.00 0.00 H new ATOM 0 HA SER A 74 -1.971 -2.057 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.416 -1.382 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.541 -0.264 -1.186 1.00 0.00 H new ATOM 0 HG SER A 74 0.540 1.106 0.100 1.00 0.00 H new ATOM 1123 N LEU A 75 -2.445 -2.180 2.486 1.00 0.00 N ATOM 1124 CA LEU A 75 -2.296 -2.770 3.815 1.00 0.00 C ATOM 1125 C LEU A 75 -3.012 -4.118 3.923 1.00 0.00 C ATOM 1126 O LEU A 75 -2.628 -4.967 4.727 1.00 0.00 O ATOM 1127 CB LEU A 75 -2.801 -1.808 4.895 1.00 0.00 C ATOM 1128 CG LEU A 75 -1.695 -1.153 5.729 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -1.389 0.244 5.210 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -2.081 -1.100 7.199 1.00 0.00 C ATOM 0 H LEU A 75 -3.410 -2.040 2.188 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.232 -2.948 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.392 -1.025 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.470 -2.351 5.563 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.796 -1.763 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.601 0.693 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.059 0.183 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.287 0.859 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.279 -0.631 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.996 -0.519 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.245 -2.112 7.569 1.00 0.00 H new ATOM 1142 N LEU A 76 -4.032 -4.321 3.094 1.00 0.00 N ATOM 1143 CA LEU A 76 -4.787 -5.576 3.082 1.00 0.00 C ATOM 1144 C LEU A 76 -4.032 -6.629 2.292 1.00 0.00 C ATOM 1145 O LEU A 76 -4.576 -7.250 1.377 1.00 0.00 O ATOM 1146 CB LEU A 76 -6.172 -5.363 2.461 1.00 0.00 C ATOM 1147 CG LEU A 76 -6.225 -4.413 1.254 1.00 0.00 C ATOM 1148 CD1 LEU A 76 -6.361 -2.970 1.722 1.00 0.00 C ATOM 1149 CD2 LEU A 76 -4.999 -4.586 0.352 1.00 0.00 C ATOM 0 H LEU A 76 -4.358 -3.631 2.418 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.910 -5.915 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.565 -6.332 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.840 -4.978 3.232 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.103 -4.668 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.397 -2.309 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.278 -2.860 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.505 -2.707 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.068 -3.899 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.095 -4.371 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.960 -5.611 -0.017 1.00 0.00 H new ATOM 1161 N ILE A 77 -2.761 -6.795 2.622 1.00 0.00 N ATOM 1162 CA ILE A 77 -1.912 -7.739 1.912 1.00 0.00 C ATOM 1163 C ILE A 77 -2.009 -7.446 0.439 1.00 0.00 C ATOM 1164 O ILE A 77 -2.432 -8.289 -0.351 1.00 0.00 O ATOM 1165 CB ILE A 77 -2.302 -9.203 2.188 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -2.607 -9.407 3.673 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -1.188 -10.134 1.740 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -1.582 -8.791 4.602 1.00 0.00 C ATOM 0 H ILE A 77 -2.295 -6.290 3.375 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.888 -7.617 2.266 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.202 -9.437 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.586 -8.981 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.671 -10.476 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.474 -11.167 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.014 -10.006 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.275 -9.898 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.869 -8.979 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.605 -9.234 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.533 -7.716 4.428 1.00 0.00 H new ATOM 1180 N GLU A 78 -1.633 -6.209 0.101 1.00 0.00 N ATOM 1181 CA GLU A 78 -1.677 -5.716 -1.266 1.00 0.00 C ATOM 1182 C GLU A 78 -1.885 -6.842 -2.257 1.00 0.00 C ATOM 1183 O GLU A 78 -1.156 -7.835 -2.264 1.00 0.00 O ATOM 1184 CB GLU A 78 -0.410 -4.931 -1.598 1.00 0.00 C ATOM 1185 CG GLU A 78 -0.692 -3.498 -2.016 1.00 0.00 C ATOM 1186 CD GLU A 78 -0.437 -3.259 -3.492 1.00 0.00 C ATOM 1187 OE1 GLU A 78 -1.076 -3.937 -4.322 1.00 0.00 O ATOM 1188 OE2 GLU A 78 0.403 -2.392 -3.816 1.00 0.00 O ATOM 0 H GLU A 78 -1.290 -5.524 0.775 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.531 -5.044 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.247 -4.927 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.126 -5.439 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.729 -3.254 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.068 -2.823 -1.430 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.905 -6.674 -3.073 1.00 0.00 N ATOM 1196 CA GLU A 79 -3.284 -7.652 -4.082 1.00 0.00 C ATOM 1197 C GLU A 79 -2.069 -8.338 -4.721 1.00 0.00 C ATOM 1198 O GLU A 79 -2.180 -9.457 -5.223 1.00 0.00 O ATOM 1199 CB GLU A 79 -4.155 -6.966 -5.132 1.00 0.00 C ATOM 1200 CG GLU A 79 -5.192 -6.028 -4.516 1.00 0.00 C ATOM 1201 CD GLU A 79 -6.555 -6.154 -5.169 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -7.292 -7.102 -4.827 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -6.885 -5.304 -6.024 1.00 0.00 O ATOM 0 H GLU A 79 -3.503 -5.848 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.852 -8.447 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.519 -6.401 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.665 -7.724 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.283 -6.242 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.844 -4.999 -4.606 1.00 0.00 H new ATOM 1210 N SER A 80 -0.909 -7.681 -4.687 1.00 0.00 N ATOM 1211 CA SER A 80 0.305 -8.261 -5.247 1.00 0.00 C ATOM 1212 C SER A 80 1.556 -7.844 -4.459 1.00 0.00 C ATOM 1213 O SER A 80 2.562 -7.460 -5.055 1.00 0.00 O ATOM 1214 CB SER A 80 0.455 -7.849 -6.714 1.00 0.00 C ATOM 1215 OG SER A 80 -0.807 -7.571 -7.297 1.00 0.00 O ATOM 0 H SER A 80 -0.788 -6.754 -4.280 1.00 0.00 H new ATOM 0 HA SER A 80 0.213 -9.345 -5.177 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.094 -6.968 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.949 -8.646 -7.270 1.00 0.00 H new ATOM 0 HG SER A 80 -0.684 -7.309 -8.233 1.00 0.00 H new ATOM 1221 N THR A 81 1.502 -7.921 -3.123 1.00 0.00 N ATOM 1222 CA THR A 81 2.656 -7.543 -2.304 1.00 0.00 C ATOM 1223 C THR A 81 3.536 -8.746 -1.970 1.00 0.00 C ATOM 1224 O THR A 81 4.674 -8.582 -1.531 1.00 0.00 O ATOM 1225 CB THR A 81 2.192 -6.872 -1.015 1.00 0.00 C ATOM 1226 OG1 THR A 81 3.274 -6.705 -0.117 1.00 0.00 O ATOM 1227 CG2 THR A 81 1.109 -7.649 -0.304 1.00 0.00 C ATOM 0 H THR A 81 0.687 -8.236 -2.596 1.00 0.00 H new ATOM 0 HA THR A 81 3.253 -6.842 -2.888 1.00 0.00 H new ATOM 0 HB THR A 81 1.786 -5.906 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.047 -7.214 -0.438 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.820 -7.122 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.242 -7.746 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.482 -8.640 -0.046 1.00 0.00 H new ATOM 1235 N GLY A 82 3.013 -9.952 -2.178 1.00 0.00 N ATOM 1236 CA GLY A 82 3.783 -11.151 -1.890 1.00 0.00 C ATOM 1237 C GLY A 82 5.190 -11.093 -2.457 1.00 0.00 C ATOM 1238 O GLY A 82 6.110 -11.706 -1.917 1.00 0.00 O ATOM 0 H GLY A 82 2.074 -10.120 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.836 -11.293 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.265 -12.018 -2.301 1.00 0.00 H new ATOM 1242 N ASP A 83 5.355 -10.350 -3.549 1.00 0.00 N ATOM 1243 CA ASP A 83 6.658 -10.213 -4.192 1.00 0.00 C ATOM 1244 C ASP A 83 7.530 -9.199 -3.455 1.00 0.00 C ATOM 1245 O ASP A 83 7.681 -8.059 -3.893 1.00 0.00 O ATOM 1246 CB ASP A 83 6.486 -9.788 -5.652 1.00 0.00 C ATOM 1247 CG ASP A 83 5.485 -10.655 -6.392 1.00 0.00 C ATOM 1248 OD1 ASP A 83 5.858 -11.777 -6.796 1.00 0.00 O ATOM 1249 OD2 ASP A 83 4.331 -10.211 -6.568 1.00 0.00 O ATOM 0 H ASP A 83 4.603 -9.834 -4.006 1.00 0.00 H new ATOM 0 HA ASP A 83 7.155 -11.183 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.160 -8.749 -5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.450 -9.838 -6.158 1.00 0.00 H new ATOM 1254 N PHE A 84 8.101 -9.627 -2.335 1.00 0.00 N ATOM 1255 CA PHE A 84 8.959 -8.765 -1.528 1.00 0.00 C ATOM 1256 C PHE A 84 10.286 -8.498 -2.226 1.00 0.00 C ATOM 1257 O PHE A 84 10.720 -7.351 -2.338 1.00 0.00 O ATOM 1258 CB PHE A 84 9.220 -9.410 -0.168 1.00 0.00 C ATOM 1259 CG PHE A 84 7.986 -9.569 0.678 1.00 0.00 C ATOM 1260 CD1 PHE A 84 6.881 -8.752 0.490 1.00 0.00 C ATOM 1261 CD2 PHE A 84 7.933 -10.540 1.664 1.00 0.00 C ATOM 1262 CE1 PHE A 84 5.751 -8.900 1.266 1.00 0.00 C ATOM 1263 CE2 PHE A 84 6.803 -10.692 2.444 1.00 0.00 C ATOM 1264 CZ PHE A 84 5.712 -9.871 2.245 1.00 0.00 C ATOM 0 H PHE A 84 7.985 -10.570 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 84 8.443 -7.815 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.672 -10.390 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.946 -8.806 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.906 -7.990 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.784 -11.185 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.898 -8.257 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.774 -11.453 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.829 -9.988 2.855 1.00 0.00 H new ATOM 1274 N ASN A 85 10.928 -9.561 -2.690 1.00 0.00 N ATOM 1275 CA ASN A 85 12.211 -9.436 -3.370 1.00 0.00 C ATOM 1276 C ASN A 85 12.081 -8.577 -4.621 1.00 0.00 C ATOM 1277 O ASN A 85 13.080 -8.097 -5.160 1.00 0.00 O ATOM 1278 CB ASN A 85 12.755 -10.815 -3.745 1.00 0.00 C ATOM 1279 CG ASN A 85 12.606 -11.829 -2.628 1.00 0.00 C ATOM 1280 OD1 ASN A 85 13.483 -11.963 -1.775 1.00 0.00 O ATOM 1281 ND2 ASN A 85 11.494 -12.553 -2.631 1.00 0.00 N ATOM 0 H ASN A 85 10.583 -10.518 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 85 12.907 -8.952 -2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.233 -11.178 -4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.809 -10.725 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.340 -13.254 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.793 -12.408 -3.358 1.00 0.00 H new ATOM 1288 N GLY A 86 10.850 -8.392 -5.087 1.00 0.00 N ATOM 1289 CA GLY A 86 10.626 -7.598 -6.277 1.00 0.00 C ATOM 1290 C GLY A 86 10.996 -8.346 -7.541 1.00 0.00 C ATOM 1291 O GLY A 86 10.841 -7.823 -8.645 1.00 0.00 O ATOM 0 H GLY A 86 10.007 -8.777 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.577 -7.305 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.211 -6.680 -6.215 1.00 0.00 H new ATOM 1295 N ASN A 87 11.485 -9.575 -7.385 1.00 0.00 N ATOM 1296 CA ASN A 87 11.872 -10.383 -8.542 1.00 0.00 C ATOM 1297 C ASN A 87 10.729 -11.291 -8.992 1.00 0.00 C ATOM 1298 O ASN A 87 10.656 -11.675 -10.159 1.00 0.00 O ATOM 1299 CB ASN A 87 13.124 -11.219 -8.250 1.00 0.00 C ATOM 1300 CG ASN A 87 13.182 -11.729 -6.824 1.00 0.00 C ATOM 1301 OD1 ASN A 87 14.080 -11.370 -6.064 1.00 0.00 O ATOM 1302 ND2 ASN A 87 12.229 -12.575 -6.458 1.00 0.00 N ATOM 0 H ASN A 87 11.622 -10.029 -6.482 1.00 0.00 H new ATOM 0 HA ASN A 87 12.103 -9.691 -9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.154 -12.067 -8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.010 -10.617 -8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.221 -12.956 -5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.504 -12.845 -7.123 1.00 0.00 H new ATOM 1309 N GLY A 88 9.826 -11.619 -8.070 1.00 0.00 N ATOM 1310 CA GLY A 88 8.696 -12.464 -8.415 1.00 0.00 C ATOM 1311 C GLY A 88 8.765 -13.853 -7.804 1.00 0.00 C ATOM 1312 O GLY A 88 8.729 -14.852 -8.522 1.00 0.00 O ATOM 0 H GLY A 88 9.857 -11.317 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.777 -11.978 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.640 -12.556 -9.500 1.00 0.00 H new ATOM 1316 N LYS A 89 8.845 -13.919 -6.479 1.00 0.00 N ATOM 1317 CA LYS A 89 8.896 -15.200 -5.782 1.00 0.00 C ATOM 1318 C LYS A 89 8.470 -15.038 -4.325 1.00 0.00 C ATOM 1319 O LYS A 89 9.022 -14.218 -3.591 1.00 0.00 O ATOM 1320 CB LYS A 89 10.297 -15.818 -5.874 1.00 0.00 C ATOM 1321 CG LYS A 89 11.333 -15.160 -4.974 1.00 0.00 C ATOM 1322 CD LYS A 89 11.794 -16.094 -3.864 1.00 0.00 C ATOM 1323 CE LYS A 89 13.283 -16.391 -3.966 1.00 0.00 C ATOM 1324 NZ LYS A 89 13.564 -17.851 -3.890 1.00 0.00 N ATOM 0 H LYS A 89 8.876 -13.103 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 89 8.196 -15.879 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.232 -16.876 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.640 -15.759 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.192 -14.854 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.911 -14.255 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.577 -15.644 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.232 -17.026 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.669 -15.995 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.812 -15.877 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.527 -18.001 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.879 -18.304 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.483 -18.270 -4.838 1.00 0.00 H new ATOM 1338 N ILE A 90 7.474 -15.815 -3.917 1.00 0.00 N ATOM 1339 CA ILE A 90 6.964 -15.747 -2.551 1.00 0.00 C ATOM 1340 C ILE A 90 7.154 -17.078 -1.835 1.00 0.00 C ATOM 1341 O ILE A 90 6.357 -18.002 -2.000 1.00 0.00 O ATOM 1342 CB ILE A 90 5.466 -15.364 -2.516 1.00 0.00 C ATOM 1343 CG1 ILE A 90 5.045 -14.672 -3.817 1.00 0.00 C ATOM 1344 CG2 ILE A 90 5.181 -14.464 -1.323 1.00 0.00 C ATOM 1345 CD1 ILE A 90 5.927 -13.501 -4.196 1.00 0.00 C ATOM 0 H ILE A 90 7.004 -16.498 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 90 7.534 -14.971 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 90 4.883 -16.279 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.057 -15.402 -4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.017 -14.324 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.123 -14.202 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.436 -14.989 -0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.779 -13.556 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.568 -13.062 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.896 -12.751 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.952 -13.846 -4.329 1.00 0.00 H new ATOM 1357 N ASP A 91 8.216 -17.173 -1.043 1.00 0.00 N ATOM 1358 CA ASP A 91 8.508 -18.398 -0.309 1.00 0.00 C ATOM 1359 C ASP A 91 9.673 -18.193 0.648 1.00 0.00 C ATOM 1360 O ASP A 91 9.524 -18.326 1.863 1.00 0.00 O ATOM 1361 CB ASP A 91 8.826 -19.531 -1.287 1.00 0.00 C ATOM 1362 CG ASP A 91 7.711 -20.556 -1.368 1.00 0.00 C ATOM 1363 OD1 ASP A 91 7.704 -21.492 -0.542 1.00 0.00 O ATOM 1364 OD2 ASP A 91 6.846 -20.421 -2.259 1.00 0.00 O ATOM 0 H ASP A 91 8.887 -16.419 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 91 7.628 -18.665 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.004 -19.113 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.748 -20.025 -0.979 1.00 0.00 H new ATOM 1369 N ILE A 92 10.833 -17.869 0.095 1.00 0.00 N ATOM 1370 CA ILE A 92 12.021 -17.645 0.903 1.00 0.00 C ATOM 1371 C ILE A 92 12.144 -16.178 1.296 1.00 0.00 C ATOM 1372 O ILE A 92 12.782 -15.842 2.295 1.00 0.00 O ATOM 1373 CB ILE A 92 13.301 -18.082 0.166 1.00 0.00 C ATOM 1374 CG1 ILE A 92 14.490 -18.049 1.124 1.00 0.00 C ATOM 1375 CG2 ILE A 92 13.556 -17.195 -1.045 1.00 0.00 C ATOM 1376 CD1 ILE A 92 14.628 -19.308 1.949 1.00 0.00 C ATOM 0 H ILE A 92 10.976 -17.756 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 92 11.911 -18.253 1.801 1.00 0.00 H new ATOM 0 HB ILE A 92 13.169 -19.103 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 92 15.405 -17.896 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.386 -17.194 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.465 -17.522 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.713 -17.266 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.673 -16.161 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 92 15.492 -19.218 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.728 -19.451 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.764 -20.164 1.287 1.00 0.00 H new ATOM 1388 N GLY A 93 11.524 -15.309 0.508 1.00 0.00 N ATOM 1389 CA GLY A 93 11.573 -13.891 0.792 1.00 0.00 C ATOM 1390 C GLY A 93 10.918 -13.531 2.115 1.00 0.00 C ATOM 1391 O GLY A 93 10.999 -12.387 2.562 1.00 0.00 O ATOM 0 H GLY A 93 10.989 -15.562 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.613 -13.564 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.078 -13.347 -0.013 1.00 0.00 H new ATOM 1395 N ASP A 94 10.267 -14.505 2.743 1.00 0.00 N ATOM 1396 CA ASP A 94 9.598 -14.275 4.017 1.00 0.00 C ATOM 1397 C ASP A 94 10.571 -14.408 5.179 1.00 0.00 C ATOM 1398 O ASP A 94 10.647 -13.536 6.045 1.00 0.00 O ATOM 1399 CB ASP A 94 8.452 -15.269 4.200 1.00 0.00 C ATOM 1400 CG ASP A 94 7.559 -14.908 5.371 1.00 0.00 C ATOM 1401 OD1 ASP A 94 7.293 -13.703 5.564 1.00 0.00 O ATOM 1402 OD2 ASP A 94 7.127 -15.830 6.094 1.00 0.00 O ATOM 0 H ASP A 94 10.189 -15.459 2.391 1.00 0.00 H new ATOM 0 HA ASP A 94 9.203 -13.259 4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.856 -15.304 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.861 -16.268 4.352 1.00 0.00 H new ATOM 1407 N LEU A 95 11.303 -15.514 5.198 1.00 0.00 N ATOM 1408 CA LEU A 95 12.263 -15.776 6.266 1.00 0.00 C ATOM 1409 C LEU A 95 13.659 -15.264 5.916 1.00 0.00 C ATOM 1410 O LEU A 95 14.657 -15.827 6.365 1.00 0.00 O ATOM 1411 CB LEU A 95 12.322 -17.276 6.563 1.00 0.00 C ATOM 1412 CG LEU A 95 11.249 -17.788 7.525 1.00 0.00 C ATOM 1413 CD1 LEU A 95 11.482 -17.242 8.924 1.00 0.00 C ATOM 1414 CD2 LEU A 95 9.862 -17.407 7.026 1.00 0.00 C ATOM 0 H LEU A 95 11.252 -16.244 4.488 1.00 0.00 H new ATOM 0 HA LEU A 95 11.923 -15.239 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.235 -17.821 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.302 -17.510 6.978 1.00 0.00 H new ATOM 0 HG LEU A 95 11.314 -18.875 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.709 -17.617 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.460 -17.564 9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.445 -16.153 8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.110 -17.779 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.786 -16.322 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.695 -17.847 6.043 1.00 0.00 H new ATOM 1426 N ALA A 96 13.736 -14.202 5.114 1.00 0.00 N ATOM 1427 CA ALA A 96 15.033 -13.654 4.731 1.00 0.00 C ATOM 1428 C ALA A 96 14.932 -12.251 4.129 1.00 0.00 C ATOM 1429 O ALA A 96 15.845 -11.442 4.287 1.00 0.00 O ATOM 1430 CB ALA A 96 15.724 -14.591 3.753 1.00 0.00 C ATOM 0 H ALA A 96 12.930 -13.713 4.724 1.00 0.00 H new ATOM 0 HA ALA A 96 15.623 -13.566 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.691 -14.175 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.870 -15.564 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.107 -14.707 2.862 1.00 0.00 H new ATOM 1436 N MET A 97 13.843 -11.969 3.419 1.00 0.00 N ATOM 1437 CA MET A 97 13.676 -10.663 2.784 1.00 0.00 C ATOM 1438 C MET A 97 12.966 -9.652 3.684 1.00 0.00 C ATOM 1439 O MET A 97 13.585 -8.720 4.194 1.00 0.00 O ATOM 1440 CB MET A 97 12.905 -10.804 1.469 1.00 0.00 C ATOM 1441 CG MET A 97 13.600 -10.175 0.273 1.00 0.00 C ATOM 1442 SD MET A 97 14.226 -8.517 0.610 1.00 0.00 S ATOM 1443 CE MET A 97 13.785 -7.685 -0.910 1.00 0.00 C ATOM 0 H MET A 97 13.071 -12.618 3.269 1.00 0.00 H new ATOM 0 HA MET A 97 14.679 -10.282 2.591 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.743 -11.863 1.267 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.922 -10.348 1.586 1.00 0.00 H new ATOM 0 HG2 MET A 97 14.428 -10.814 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.902 -10.131 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.787 -6.607 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 97 14.508 -7.937 -1.686 1.00 0.00 H new ATOM 0 HE3 MET A 97 12.791 -8.003 -1.223 1.00 0.00 H new ATOM 1453 N VAL A 98 11.656 -9.816 3.834 1.00 0.00 N ATOM 1454 CA VAL A 98 10.855 -8.890 4.625 1.00 0.00 C ATOM 1455 C VAL A 98 11.159 -8.947 6.124 1.00 0.00 C ATOM 1456 O VAL A 98 11.465 -7.922 6.733 1.00 0.00 O ATOM 1457 CB VAL A 98 9.341 -9.113 4.394 1.00 0.00 C ATOM 1458 CG1 VAL A 98 8.877 -10.445 4.965 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.547 -7.967 4.995 1.00 0.00 C ATOM 0 H VAL A 98 11.127 -10.582 3.418 1.00 0.00 H new ATOM 0 HA VAL A 98 11.135 -7.896 4.275 1.00 0.00 H new ATOM 0 HB VAL A 98 9.165 -9.141 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.809 -10.566 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.421 -11.257 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.068 -10.467 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.483 -8.134 4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.741 -7.912 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.846 -7.031 4.524 1.00 0.00 H new ATOM 1469 N SER A 99 11.058 -10.129 6.725 1.00 0.00 N ATOM 1470 CA SER A 99 11.296 -10.280 8.157 1.00 0.00 C ATOM 1471 C SER A 99 12.732 -9.943 8.557 1.00 0.00 C ATOM 1472 O SER A 99 13.057 -9.938 9.745 1.00 0.00 O ATOM 1473 CB SER A 99 10.960 -11.702 8.605 1.00 0.00 C ATOM 1474 OG SER A 99 11.954 -12.619 8.185 1.00 0.00 O ATOM 0 H SER A 99 10.813 -10.995 6.244 1.00 0.00 H new ATOM 0 HA SER A 99 10.641 -9.567 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.869 -11.732 9.691 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.994 -11.996 8.196 1.00 0.00 H new ATOM 0 HG SER A 99 11.711 -12.987 7.310 1.00 0.00 H new ATOM 1480 N LYS A 100 13.596 -9.682 7.583 1.00 0.00 N ATOM 1481 CA LYS A 100 14.987 -9.372 7.886 1.00 0.00 C ATOM 1482 C LYS A 100 15.133 -8.068 8.655 1.00 0.00 C ATOM 1483 O LYS A 100 15.928 -7.982 9.590 1.00 0.00 O ATOM 1484 CB LYS A 100 15.829 -9.341 6.606 1.00 0.00 C ATOM 1485 CG LYS A 100 15.659 -8.079 5.776 1.00 0.00 C ATOM 1486 CD LYS A 100 16.686 -7.021 6.148 1.00 0.00 C ATOM 1487 CE LYS A 100 16.620 -5.828 5.209 1.00 0.00 C ATOM 1488 NZ LYS A 100 17.971 -5.279 4.911 1.00 0.00 N ATOM 0 H LYS A 100 13.362 -9.679 6.590 1.00 0.00 H new ATOM 0 HA LYS A 100 15.358 -10.169 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 100 16.880 -9.447 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.568 -10.203 5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.754 -8.323 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.655 -7.680 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.514 -6.690 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 100 17.685 -7.455 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.136 -6.125 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.002 -5.049 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.882 -4.467 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.424 -4.972 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.553 -6.014 4.462 1.00 0.00 H new ATOM 1502 N ASN A 101 14.370 -7.060 8.271 1.00 0.00 N ATOM 1503 CA ASN A 101 14.441 -5.778 8.950 1.00 0.00 C ATOM 1504 C ASN A 101 13.405 -5.704 10.061 1.00 0.00 C ATOM 1505 O ASN A 101 13.721 -5.319 11.186 1.00 0.00 O ATOM 1506 CB ASN A 101 14.243 -4.629 7.960 1.00 0.00 C ATOM 1507 CG ASN A 101 13.058 -4.849 7.046 1.00 0.00 C ATOM 1508 OD1 ASN A 101 11.950 -4.404 7.333 1.00 0.00 O ATOM 1509 ND2 ASN A 101 13.291 -5.536 5.933 1.00 0.00 N ATOM 0 H ASN A 101 13.701 -7.102 7.502 1.00 0.00 H new ATOM 0 HA ASN A 101 15.432 -5.683 9.393 1.00 0.00 H new ATOM 0 HB2 ASN A 101 14.105 -3.699 8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 101 15.145 -4.512 7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.532 -5.713 5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 101 14.229 -5.886 5.737 1.00 0.00 H new ATOM 1516 N ILE A 102 12.163 -6.069 9.742 1.00 0.00 N ATOM 1517 CA ILE A 102 11.082 -6.037 10.710 1.00 0.00 C ATOM 1518 C ILE A 102 11.072 -4.721 11.475 1.00 0.00 C ATOM 1519 O ILE A 102 11.827 -4.525 12.427 1.00 0.00 O ATOM 1520 CB ILE A 102 11.163 -7.219 11.697 1.00 0.00 C ATOM 1521 CG1 ILE A 102 10.827 -8.532 10.979 1.00 0.00 C ATOM 1522 CG2 ILE A 102 10.233 -7.005 12.888 1.00 0.00 C ATOM 1523 CD1 ILE A 102 9.340 -8.749 10.745 1.00 0.00 C ATOM 0 H ILE A 102 11.886 -6.391 8.814 1.00 0.00 H new ATOM 0 HA ILE A 102 10.151 -6.126 10.150 1.00 0.00 H new ATOM 0 HB ILE A 102 12.183 -7.278 12.077 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.341 -8.550 10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.217 -9.364 11.565 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.311 -7.854 13.567 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.518 -6.093 13.413 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.205 -6.915 12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.187 -9.699 10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.820 -8.765 11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.946 -7.939 10.132 1.00 0.00 H new ATOM 1535 N GLY A 103 10.193 -3.834 11.050 1.00 0.00 N ATOM 1536 CA GLY A 103 10.065 -2.540 11.697 1.00 0.00 C ATOM 1537 C GLY A 103 10.906 -1.462 11.040 1.00 0.00 C ATOM 1538 O GLY A 103 11.217 -0.447 11.664 1.00 0.00 O ATOM 0 H GLY A 103 9.560 -3.983 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.019 -2.235 11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.356 -2.633 12.743 1.00 0.00 H new ATOM 1542 N SER A 104 11.274 -1.674 9.781 1.00 0.00 N ATOM 1543 CA SER A 104 12.082 -0.704 9.051 1.00 0.00 C ATOM 1544 C SER A 104 11.215 0.136 8.120 1.00 0.00 C ATOM 1545 O SER A 104 10.645 -0.373 7.156 1.00 0.00 O ATOM 1546 CB SER A 104 13.169 -1.415 8.244 1.00 0.00 C ATOM 1547 OG SER A 104 14.346 -1.584 9.015 1.00 0.00 O ATOM 0 H SER A 104 11.026 -2.506 9.246 1.00 0.00 H new ATOM 0 HA SER A 104 12.552 -0.043 9.779 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.804 -2.387 7.913 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.397 -0.838 7.347 1.00 0.00 H new ATOM 0 HG SER A 104 15.108 -1.738 8.419 1.00 0.00 H new ATOM 1553 N THR A 105 11.123 1.428 8.415 1.00 0.00 N ATOM 1554 CA THR A 105 10.331 2.343 7.604 1.00 0.00 C ATOM 1555 C THR A 105 10.937 2.509 6.212 1.00 0.00 C ATOM 1556 O THR A 105 10.271 2.974 5.287 1.00 0.00 O ATOM 1557 CB THR A 105 10.223 3.703 8.294 1.00 0.00 C ATOM 1558 OG1 THR A 105 11.472 4.372 8.284 1.00 0.00 O ATOM 1559 CG2 THR A 105 9.766 3.603 9.734 1.00 0.00 C ATOM 0 H THR A 105 11.588 1.865 9.211 1.00 0.00 H new ATOM 0 HA THR A 105 9.333 1.918 7.493 1.00 0.00 H new ATOM 0 HB THR A 105 9.476 4.259 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.381 5.241 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.709 4.601 10.168 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.783 3.135 9.772 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.477 3.001 10.300 1.00 0.00 H new ATOM 1567 N THR A 106 12.203 2.125 6.068 1.00 0.00 N ATOM 1568 CA THR A 106 12.892 2.229 4.786 1.00 0.00 C ATOM 1569 C THR A 106 12.681 0.969 3.950 1.00 0.00 C ATOM 1570 O THR A 106 12.791 1.004 2.724 1.00 0.00 O ATOM 1571 CB THR A 106 14.386 2.465 5.007 1.00 0.00 C ATOM 1572 OG1 THR A 106 15.005 1.307 5.537 1.00 0.00 O ATOM 1573 CG2 THR A 106 14.679 3.614 5.947 1.00 0.00 C ATOM 0 H THR A 106 12.771 1.740 6.822 1.00 0.00 H new ATOM 0 HA THR A 106 12.473 3.076 4.243 1.00 0.00 H new ATOM 0 HB THR A 106 14.787 2.711 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.961 1.478 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.757 3.726 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.259 4.534 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.232 3.411 6.920 1.00 0.00 H new ATOM 1581 N ASN A 107 12.379 -0.141 4.617 1.00 0.00 N ATOM 1582 CA ASN A 107 12.155 -1.408 3.931 1.00 0.00 C ATOM 1583 C ASN A 107 10.665 -1.658 3.712 1.00 0.00 C ATOM 1584 O ASN A 107 10.218 -2.804 3.658 1.00 0.00 O ATOM 1585 CB ASN A 107 12.763 -2.561 4.730 1.00 0.00 C ATOM 1586 CG ASN A 107 13.394 -3.613 3.838 1.00 0.00 C ATOM 1587 OD1 ASN A 107 14.522 -4.045 4.069 1.00 0.00 O ATOM 1588 ND2 ASN A 107 12.664 -4.031 2.810 1.00 0.00 N ATOM 0 H ASN A 107 12.284 -0.188 5.631 1.00 0.00 H new ATOM 0 HA ASN A 107 12.642 -1.352 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.516 -2.169 5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.988 -3.024 5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 107 13.035 -4.738 2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.732 -3.645 2.656 1.00 0.00 H new ATOM 1595 N THR A 108 9.901 -0.578 3.579 1.00 0.00 N ATOM 1596 CA THR A 108 8.462 -0.678 3.360 1.00 0.00 C ATOM 1597 C THR A 108 8.151 -1.128 1.934 1.00 0.00 C ATOM 1598 O THR A 108 7.003 -1.422 1.604 1.00 0.00 O ATOM 1599 CB THR A 108 7.794 0.670 3.631 1.00 0.00 C ATOM 1600 OG1 THR A 108 8.483 1.376 4.646 1.00 0.00 O ATOM 1601 CG2 THR A 108 6.348 0.545 4.056 1.00 0.00 C ATOM 0 H THR A 108 10.255 0.378 3.619 1.00 0.00 H new ATOM 0 HA THR A 108 8.069 -1.424 4.050 1.00 0.00 H new ATOM 0 HB THR A 108 7.831 1.208 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.176 1.938 4.241 1.00 0.00 H new ATOM 0 HG21 THR A 108 5.934 1.538 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 108 5.779 0.049 3.270 1.00 0.00 H new ATOM 0 HG23 THR A 108 6.288 -0.042 4.973 1.00 0.00 H new ATOM 1609 N SER A 109 9.180 -1.173 1.092 1.00 0.00 N ATOM 1610 CA SER A 109 9.016 -1.579 -0.298 1.00 0.00 C ATOM 1611 C SER A 109 8.390 -2.967 -0.411 1.00 0.00 C ATOM 1612 O SER A 109 7.844 -3.321 -1.456 1.00 0.00 O ATOM 1613 CB SER A 109 10.367 -1.558 -1.015 1.00 0.00 C ATOM 1614 OG SER A 109 11.434 -1.734 -0.098 1.00 0.00 O ATOM 0 H SER A 109 10.137 -0.933 1.350 1.00 0.00 H new ATOM 0 HA SER A 109 8.340 -0.867 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.396 -2.347 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.488 -0.611 -1.541 1.00 0.00 H new ATOM 0 HG SER A 109 12.286 -1.719 -0.581 1.00 0.00 H new ATOM 1620 N LEU A 110 8.475 -3.759 0.656 1.00 0.00 N ATOM 1621 CA LEU A 110 7.913 -5.105 0.636 1.00 0.00 C ATOM 1622 C LEU A 110 7.159 -5.435 1.921 1.00 0.00 C ATOM 1623 O LEU A 110 7.326 -6.518 2.484 1.00 0.00 O ATOM 1624 CB LEU A 110 9.016 -6.139 0.402 1.00 0.00 C ATOM 1625 CG LEU A 110 10.279 -5.970 1.250 1.00 0.00 C ATOM 1626 CD1 LEU A 110 9.980 -6.207 2.727 1.00 0.00 C ATOM 1627 CD2 LEU A 110 11.360 -6.924 0.762 1.00 0.00 C ATOM 0 H LEU A 110 8.922 -3.495 1.534 1.00 0.00 H new ATOM 0 HA LEU A 110 7.198 -5.141 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.604 -7.130 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.300 -6.107 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 110 10.636 -4.946 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.894 -6.081 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.232 -5.490 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.600 -7.220 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.257 -6.799 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.004 -7.951 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.594 -6.706 -0.280 1.00 0.00 H new ATOM 1639 N ASP A 111 6.307 -4.522 2.370 1.00 0.00 N ATOM 1640 CA ASP A 111 5.523 -4.743 3.558 1.00 0.00 C ATOM 1641 C ASP A 111 4.066 -4.880 3.165 1.00 0.00 C ATOM 1642 O ASP A 111 3.442 -3.913 2.729 1.00 0.00 O ATOM 1643 CB ASP A 111 5.703 -3.582 4.533 1.00 0.00 C ATOM 1644 CG ASP A 111 5.380 -3.971 5.962 1.00 0.00 C ATOM 1645 OD1 ASP A 111 4.462 -4.795 6.160 1.00 0.00 O ATOM 1646 OD2 ASP A 111 6.044 -3.453 6.881 1.00 0.00 O ATOM 0 H ASP A 111 6.148 -3.620 1.920 1.00 0.00 H new ATOM 0 HA ASP A 111 5.855 -5.656 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 111 6.731 -3.223 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 111 5.061 -2.755 4.231 1.00 0.00 H new ATOM 1651 N LEU A 112 3.528 -6.084 3.309 1.00 0.00 N ATOM 1652 CA LEU A 112 2.135 -6.345 2.960 1.00 0.00 C ATOM 1653 C LEU A 112 1.239 -5.211 3.434 1.00 0.00 C ATOM 1654 O LEU A 112 0.201 -4.922 2.837 1.00 0.00 O ATOM 1655 CB LEU A 112 1.679 -7.659 3.581 1.00 0.00 C ATOM 1656 CG LEU A 112 2.583 -8.856 3.299 1.00 0.00 C ATOM 1657 CD1 LEU A 112 2.089 -10.081 4.050 1.00 0.00 C ATOM 1658 CD2 LEU A 112 2.653 -9.118 1.805 1.00 0.00 C ATOM 0 H LEU A 112 4.033 -6.896 3.665 1.00 0.00 H new ATOM 0 HA LEU A 112 2.060 -6.415 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.604 -7.526 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.677 -7.886 3.217 1.00 0.00 H new ATOM 0 HG LEU A 112 3.590 -8.631 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.744 -10.926 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.093 -9.878 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.075 -10.319 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.301 -9.974 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.653 -9.328 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.056 -8.240 1.300 1.00 0.00 H new ATOM 1670 N ASN A 113 1.664 -4.566 4.511 1.00 0.00 N ATOM 1671 CA ASN A 113 0.937 -3.455 5.082 1.00 0.00 C ATOM 1672 C ASN A 113 1.459 -2.143 4.523 1.00 0.00 C ATOM 1673 O ASN A 113 0.705 -1.202 4.284 1.00 0.00 O ATOM 1674 CB ASN A 113 1.115 -3.459 6.594 1.00 0.00 C ATOM 1675 CG ASN A 113 -0.173 -3.772 7.331 1.00 0.00 C ATOM 1676 OD1 ASN A 113 -1.035 -4.488 6.823 1.00 0.00 O ATOM 1677 ND2 ASN A 113 -0.309 -3.234 8.538 1.00 0.00 N ATOM 0 H ASN A 113 2.522 -4.802 5.009 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.119 -3.556 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.873 -4.194 6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.486 -2.486 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.154 -3.409 9.082 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.431 -2.646 8.921 1.00 0.00 H new ATOM 1684 N LYS A 114 2.771 -2.082 4.350 1.00 0.00 N ATOM 1685 CA LYS A 114 3.416 -0.878 3.860 1.00 0.00 C ATOM 1686 C LYS A 114 3.199 0.241 4.862 1.00 0.00 C ATOM 1687 O LYS A 114 3.153 1.418 4.504 1.00 0.00 O ATOM 1688 CB LYS A 114 2.863 -0.481 2.494 1.00 0.00 C ATOM 1689 CG LYS A 114 3.670 -1.034 1.331 1.00 0.00 C ATOM 1690 CD LYS A 114 3.189 -0.471 0.006 1.00 0.00 C ATOM 1691 CE LYS A 114 3.718 0.934 -0.227 1.00 0.00 C ATOM 1692 NZ LYS A 114 3.822 1.256 -1.678 1.00 0.00 N ATOM 0 H LYS A 114 3.409 -2.855 4.543 1.00 0.00 H new ATOM 0 HA LYS A 114 4.483 -1.066 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.834 -0.831 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.836 0.606 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.724 -0.792 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.592 -2.121 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.513 -1.122 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 114 2.099 -0.458 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.060 1.655 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.699 1.034 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.187 2.223 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.470 0.584 -2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 2.882 1.186 -2.117 1.00 0.00 H new ATOM 1706 N ASP A 115 3.063 -0.145 6.129 1.00 0.00 N ATOM 1707 CA ASP A 115 2.848 0.813 7.198 1.00 0.00 C ATOM 1708 C ASP A 115 4.166 1.470 7.607 1.00 0.00 C ATOM 1709 O ASP A 115 4.191 2.320 8.497 1.00 0.00 O ATOM 1710 CB ASP A 115 2.190 0.125 8.402 1.00 0.00 C ATOM 1711 CG ASP A 115 1.964 1.075 9.562 1.00 0.00 C ATOM 1712 OD1 ASP A 115 2.884 1.225 10.394 1.00 0.00 O ATOM 1713 OD2 ASP A 115 0.869 1.668 9.639 1.00 0.00 O ATOM 0 H ASP A 115 3.099 -1.117 6.435 1.00 0.00 H new ATOM 0 HA ASP A 115 2.179 1.593 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.235 -0.302 8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.818 -0.703 8.731 1.00 0.00 H new ATOM 1718 N GLY A 116 5.261 1.076 6.952 1.00 0.00 N ATOM 1719 CA GLY A 116 6.554 1.651 7.274 1.00 0.00 C ATOM 1720 C GLY A 116 7.255 0.895 8.382 1.00 0.00 C ATOM 1721 O GLY A 116 7.957 1.485 9.203 1.00 0.00 O ATOM 0 H GLY A 116 5.273 0.375 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.182 1.651 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.423 2.691 7.572 1.00 0.00 H new ATOM 1725 N SER A 117 7.055 -0.414 8.403 1.00 0.00 N ATOM 1726 CA SER A 117 7.664 -1.267 9.417 1.00 0.00 C ATOM 1727 C SER A 117 7.327 -2.714 9.163 1.00 0.00 C ATOM 1728 O SER A 117 6.177 -3.130 9.307 1.00 0.00 O ATOM 1729 CB SER A 117 7.176 -0.880 10.816 1.00 0.00 C ATOM 1730 OG SER A 117 8.173 -0.171 11.529 1.00 0.00 O ATOM 0 H SER A 117 6.474 -0.912 7.728 1.00 0.00 H new ATOM 0 HA SER A 117 8.744 -1.129 9.361 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.279 -0.267 10.734 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.899 -1.778 11.369 1.00 0.00 H new ATOM 0 HG SER A 117 8.459 0.607 11.006 1.00 0.00 H new ATOM 1736 N ILE A 118 8.336 -3.493 8.820 1.00 0.00 N ATOM 1737 CA ILE A 118 8.128 -4.897 8.591 1.00 0.00 C ATOM 1738 C ILE A 118 7.725 -5.537 9.899 1.00 0.00 C ATOM 1739 O ILE A 118 8.502 -5.656 10.838 1.00 0.00 O ATOM 1740 CB ILE A 118 9.379 -5.558 7.982 1.00 0.00 C ATOM 1741 CG1 ILE A 118 9.509 -5.122 6.521 1.00 0.00 C ATOM 1742 CG2 ILE A 118 9.328 -7.077 8.102 1.00 0.00 C ATOM 1743 CD1 ILE A 118 8.193 -5.086 5.770 1.00 0.00 C ATOM 0 H ILE A 118 9.297 -3.174 8.696 1.00 0.00 H new ATOM 0 HA ILE A 118 7.330 -5.040 7.863 1.00 0.00 H new ATOM 0 HB ILE A 118 10.258 -5.232 8.538 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.962 -4.131 6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.190 -5.802 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.227 -7.507 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.270 -7.357 9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.451 -7.454 7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.369 -4.768 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.746 -6.080 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.516 -4.384 6.256 1.00 0.00 H new ATOM 1755 N ASP A 119 6.470 -5.880 9.962 1.00 0.00 N ATOM 1756 CA ASP A 119 5.905 -6.451 11.179 1.00 0.00 C ATOM 1757 C ASP A 119 5.043 -7.675 10.898 1.00 0.00 C ATOM 1758 O ASP A 119 5.184 -8.326 9.873 1.00 0.00 O ATOM 1759 CB ASP A 119 5.094 -5.385 11.923 1.00 0.00 C ATOM 1760 CG ASP A 119 5.803 -4.045 11.974 1.00 0.00 C ATOM 1761 OD1 ASP A 119 7.047 -4.035 12.084 1.00 0.00 O ATOM 1762 OD2 ASP A 119 5.114 -3.005 11.907 1.00 0.00 O ATOM 0 H ASP A 119 5.808 -5.779 9.192 1.00 0.00 H new ATOM 0 HA ASP A 119 6.734 -6.783 11.804 1.00 0.00 H new ATOM 0 HB2 ASP A 119 4.127 -5.262 11.435 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.897 -5.727 12.939 1.00 0.00 H new ATOM 1767 N GLU A 120 4.157 -7.984 11.836 1.00 0.00 N ATOM 1768 CA GLU A 120 3.272 -9.141 11.714 1.00 0.00 C ATOM 1769 C GLU A 120 2.378 -9.054 10.478 1.00 0.00 C ATOM 1770 O GLU A 120 1.809 -10.057 10.047 1.00 0.00 O ATOM 1771 CB GLU A 120 2.405 -9.271 12.969 1.00 0.00 C ATOM 1772 CG GLU A 120 1.635 -8.006 13.314 1.00 0.00 C ATOM 1773 CD GLU A 120 0.865 -8.125 14.615 1.00 0.00 C ATOM 1774 OE1 GLU A 120 0.824 -9.237 15.182 1.00 0.00 O ATOM 1775 OE2 GLU A 120 0.301 -7.106 15.066 1.00 0.00 O ATOM 0 H GLU A 120 4.030 -7.448 12.695 1.00 0.00 H new ATOM 0 HA GLU A 120 3.903 -10.023 11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.698 -10.089 12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.041 -9.540 13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.331 -7.170 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.941 -7.776 12.506 1.00 0.00 H new ATOM 1782 N TYR A 121 2.243 -7.857 9.920 1.00 0.00 N ATOM 1783 CA TYR A 121 1.397 -7.651 8.747 1.00 0.00 C ATOM 1784 C TYR A 121 2.073 -8.095 7.451 1.00 0.00 C ATOM 1785 O TYR A 121 1.390 -8.331 6.457 1.00 0.00 O ATOM 1786 CB TYR A 121 0.988 -6.174 8.613 1.00 0.00 C ATOM 1787 CG TYR A 121 1.464 -5.270 9.734 1.00 0.00 C ATOM 1788 CD1 TYR A 121 0.986 -5.422 11.030 1.00 0.00 C ATOM 1789 CD2 TYR A 121 2.383 -4.259 9.487 1.00 0.00 C ATOM 1790 CE1 TYR A 121 1.414 -4.592 12.048 1.00 0.00 C ATOM 1791 CE2 TYR A 121 2.814 -3.424 10.500 1.00 0.00 C ATOM 1792 CZ TYR A 121 2.327 -3.595 11.779 1.00 0.00 C ATOM 1793 OH TYR A 121 2.753 -2.765 12.790 1.00 0.00 O ATOM 0 H TYR A 121 2.707 -7.014 10.259 1.00 0.00 H new ATOM 0 HA TYR A 121 0.513 -8.269 8.902 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.375 -5.790 7.669 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.099 -6.118 8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 121 0.269 -6.201 11.245 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.767 -4.123 8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.035 -4.724 13.051 1.00 0.00 H new ATOM 0 HE2 TYR A 121 3.529 -2.641 10.291 1.00 0.00 H new ATOM 0 HH TYR A 121 3.731 -2.793 12.846 1.00 0.00 H new ATOM 1803 N GLU A 122 3.403 -8.178 7.438 1.00 0.00 N ATOM 1804 CA GLU A 122 4.109 -8.556 6.210 1.00 0.00 C ATOM 1805 C GLU A 122 4.270 -10.071 6.037 1.00 0.00 C ATOM 1806 O GLU A 122 4.587 -10.536 4.943 1.00 0.00 O ATOM 1807 CB GLU A 122 5.474 -7.869 6.107 1.00 0.00 C ATOM 1808 CG GLU A 122 6.239 -7.784 7.414 1.00 0.00 C ATOM 1809 CD GLU A 122 6.826 -9.116 7.836 1.00 0.00 C ATOM 1810 OE1 GLU A 122 6.812 -10.060 7.018 1.00 0.00 O ATOM 1811 OE2 GLU A 122 7.303 -9.214 8.985 1.00 0.00 O ATOM 0 H GLU A 122 4.003 -7.994 8.242 1.00 0.00 H new ATOM 0 HA GLU A 122 3.472 -8.208 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 122 6.082 -8.406 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.330 -6.860 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 122 7.042 -7.053 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.573 -7.421 8.197 1.00 0.00 H new ATOM 1818 N ILE A 123 4.041 -10.842 7.091 1.00 0.00 N ATOM 1819 CA ILE A 123 4.153 -12.302 6.988 1.00 0.00 C ATOM 1820 C ILE A 123 2.794 -12.955 6.739 1.00 0.00 C ATOM 1821 O ILE A 123 2.721 -14.118 6.354 1.00 0.00 O ATOM 1822 CB ILE A 123 4.792 -12.959 8.235 1.00 0.00 C ATOM 1823 CG1 ILE A 123 4.506 -12.148 9.507 1.00 0.00 C ATOM 1824 CG2 ILE A 123 6.289 -13.147 8.028 1.00 0.00 C ATOM 1825 CD1 ILE A 123 5.463 -11.000 9.735 1.00 0.00 C ATOM 0 H ILE A 123 3.781 -10.495 8.014 1.00 0.00 H new ATOM 0 HA ILE A 123 4.813 -12.472 6.137 1.00 0.00 H new ATOM 0 HB ILE A 123 4.338 -13.941 8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.491 -11.755 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.545 -12.816 10.367 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.723 -13.610 8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.459 -13.788 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.757 -12.177 7.859 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.193 -10.478 10.653 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.479 -11.385 9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.408 -10.308 8.895 1.00 0.00 H new ATOM 1837 N SER A 124 1.720 -12.205 6.978 1.00 0.00 N ATOM 1838 CA SER A 124 0.358 -12.718 6.800 1.00 0.00 C ATOM 1839 C SER A 124 0.168 -13.423 5.453 1.00 0.00 C ATOM 1840 O SER A 124 -0.701 -14.284 5.315 1.00 0.00 O ATOM 1841 CB SER A 124 -0.652 -11.577 6.930 1.00 0.00 C ATOM 1842 OG SER A 124 -0.063 -10.333 6.596 1.00 0.00 O ATOM 0 H SER A 124 1.764 -11.237 7.296 1.00 0.00 H new ATOM 0 HA SER A 124 0.190 -13.458 7.583 1.00 0.00 H new ATOM 0 HB2 SER A 124 -1.504 -11.766 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.034 -11.540 7.950 1.00 0.00 H new ATOM 0 HG SER A 124 -0.254 -9.681 7.302 1.00 0.00 H new ATOM 1848 N PHE A 125 0.970 -13.050 4.464 1.00 0.00 N ATOM 1849 CA PHE A 125 0.870 -13.646 3.130 1.00 0.00 C ATOM 1850 C PHE A 125 1.709 -14.914 3.023 1.00 0.00 C ATOM 1851 O PHE A 125 1.192 -15.995 2.737 1.00 0.00 O ATOM 1852 CB PHE A 125 1.321 -12.641 2.066 1.00 0.00 C ATOM 1853 CG PHE A 125 1.205 -13.148 0.655 1.00 0.00 C ATOM 1854 CD1 PHE A 125 2.048 -14.144 0.187 1.00 0.00 C ATOM 1855 CD2 PHE A 125 0.255 -12.623 -0.206 1.00 0.00 C ATOM 1856 CE1 PHE A 125 1.944 -14.606 -1.111 1.00 0.00 C ATOM 1857 CE2 PHE A 125 0.147 -13.080 -1.506 1.00 0.00 C ATOM 1858 CZ PHE A 125 0.992 -14.073 -1.959 1.00 0.00 C ATOM 0 H PHE A 125 1.696 -12.340 4.556 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.174 -13.910 2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.727 -11.733 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.358 -12.366 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.795 -14.564 0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.410 -11.847 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.606 -15.383 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -0.598 -12.661 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.909 -14.433 -2.974 1.00 0.00 H new ATOM 1868 N ILE A 126 3.008 -14.767 3.243 1.00 0.00 N ATOM 1869 CA ILE A 126 3.938 -15.894 3.161 1.00 0.00 C ATOM 1870 C ILE A 126 3.787 -16.841 4.354 1.00 0.00 C ATOM 1871 O ILE A 126 4.390 -17.913 4.381 1.00 0.00 O ATOM 1872 CB ILE A 126 5.425 -15.444 3.048 1.00 0.00 C ATOM 1873 CG1 ILE A 126 5.590 -13.929 3.266 1.00 0.00 C ATOM 1874 CG2 ILE A 126 6.001 -15.854 1.698 1.00 0.00 C ATOM 1875 CD1 ILE A 126 5.121 -13.081 2.099 1.00 0.00 C ATOM 0 H ILE A 126 3.447 -13.877 3.481 1.00 0.00 H new ATOM 0 HA ILE A 126 3.673 -16.423 2.245 1.00 0.00 H new ATOM 0 HB ILE A 126 5.979 -15.947 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.035 -13.639 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 126 6.641 -13.713 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 126 7.041 -15.533 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 126 5.949 -16.938 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.426 -15.385 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.271 -12.027 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.692 -13.341 1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 126 4.062 -13.265 1.918 1.00 0.00 H new ATOM 1887 N ASN A 127 2.986 -16.443 5.338 1.00 0.00 N ATOM 1888 CA ASN A 127 2.767 -17.264 6.527 1.00 0.00 C ATOM 1889 C ASN A 127 2.398 -18.701 6.158 1.00 0.00 C ATOM 1890 O ASN A 127 3.166 -19.631 6.403 1.00 0.00 O ATOM 1891 CB ASN A 127 1.663 -16.659 7.399 1.00 0.00 C ATOM 1892 CG ASN A 127 2.055 -16.583 8.862 1.00 0.00 C ATOM 1893 OD1 ASN A 127 3.263 -16.098 9.128 1.00 0.00 O flip ATOM 1894 ND2 ASN A 127 1.281 -16.954 9.744 1.00 0.00 N flip ATOM 0 H ASN A 127 2.478 -15.559 5.337 1.00 0.00 H new ATOM 0 HA ASN A 127 3.702 -17.283 7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 127 1.426 -15.658 7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 127 0.757 -17.257 7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 127 0.362 -17.320 9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 127 1.558 -16.895 10.724 1.00 0.00 H new ATOM 1901 N HIS A 128 1.211 -18.875 5.585 1.00 0.00 N ATOM 1902 CA HIS A 128 0.733 -20.201 5.204 1.00 0.00 C ATOM 1903 C HIS A 128 1.077 -20.536 3.755 1.00 0.00 C ATOM 1904 O HIS A 128 1.129 -21.708 3.381 1.00 0.00 O ATOM 1905 CB HIS A 128 -0.779 -20.298 5.415 1.00 0.00 C ATOM 1906 CG HIS A 128 -1.162 -20.808 6.769 1.00 0.00 C ATOM 1907 ND1 HIS A 128 -0.802 -20.178 7.941 1.00 0.00 N ATOM 1908 CD2 HIS A 128 -1.879 -21.898 7.134 1.00 0.00 C ATOM 1909 CE1 HIS A 128 -1.280 -20.857 8.969 1.00 0.00 C ATOM 1910 NE2 HIS A 128 -1.937 -21.904 8.506 1.00 0.00 N ATOM 0 H HIS A 128 0.563 -18.116 5.374 1.00 0.00 H new ATOM 0 HA HIS A 128 1.238 -20.926 5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -1.222 -19.313 5.268 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -1.202 -20.955 4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -2.322 -22.626 6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -1.155 -20.599 10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -2.411 -22.605 9.076 1.00 0.00 H new ATOM 1919 N ARG A 129 1.307 -19.512 2.939 1.00 0.00 N ATOM 1920 CA ARG A 129 1.640 -19.719 1.531 1.00 0.00 C ATOM 1921 C ARG A 129 2.731 -20.777 1.375 1.00 0.00 C ATOM 1922 O ARG A 129 2.761 -21.513 0.389 1.00 0.00 O ATOM 1923 CB ARG A 129 2.089 -18.404 0.890 1.00 0.00 C ATOM 1924 CG ARG A 129 1.106 -17.861 -0.134 1.00 0.00 C ATOM 1925 CD ARG A 129 0.820 -18.879 -1.227 1.00 0.00 C ATOM 1926 NE ARG A 129 2.042 -19.496 -1.736 1.00 0.00 N ATOM 1927 CZ ARG A 129 2.064 -20.617 -2.451 1.00 0.00 C ATOM 1928 NH1 ARG A 129 0.934 -21.248 -2.744 1.00 0.00 N ATOM 1929 NH2 ARG A 129 3.220 -21.111 -2.874 1.00 0.00 N ATOM 0 H ARG A 129 1.270 -18.534 3.226 1.00 0.00 H new ATOM 0 HA ARG A 129 0.744 -20.074 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.235 -17.659 1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.056 -18.555 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.175 -17.588 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.508 -16.951 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.159 -19.653 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.292 -18.392 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 129 2.931 -19.040 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.042 -20.874 -2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.957 -22.107 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.092 -20.631 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.237 -21.971 -3.422 1.00 0.00 H new ATOM 1943 N ILE A 130 3.620 -20.846 2.358 1.00 0.00 N ATOM 1944 CA ILE A 130 4.711 -21.813 2.339 1.00 0.00 C ATOM 1945 C ILE A 130 4.322 -23.087 3.087 1.00 0.00 C ATOM 1946 O ILE A 130 4.515 -24.195 2.586 1.00 0.00 O ATOM 1947 CB ILE A 130 5.994 -21.214 2.961 1.00 0.00 C ATOM 1948 CG1 ILE A 130 6.580 -20.151 2.033 1.00 0.00 C ATOM 1949 CG2 ILE A 130 7.026 -22.300 3.241 1.00 0.00 C ATOM 1950 CD1 ILE A 130 5.928 -18.797 2.182 1.00 0.00 C ATOM 0 H ILE A 130 3.607 -20.243 3.180 1.00 0.00 H new ATOM 0 HA ILE A 130 4.911 -22.062 1.297 1.00 0.00 H new ATOM 0 HB ILE A 130 5.728 -20.749 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 130 7.648 -20.055 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 130 6.476 -20.484 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 130 7.918 -21.851 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 130 6.609 -23.028 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 130 7.291 -22.799 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 130 6.393 -18.091 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 130 4.865 -18.878 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 130 6.055 -18.443 3.205 1.00 0.00 H new