USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1022 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 91 HIS : no HD1:sc= -8.17! C(o=-9.1!,f=-16!) USER MOD Set 1.2: A 94 MET CE :methyl -172:sc= -0.982 (180deg=-0.229) USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.274) USER MOD Single : A 11 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.252 F(o=-1.8,f=-0.25) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -167:sc= 0.0241 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -3.08! C(o=-3.1!,f=-2.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.45) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 151:sc= 0.0418 USER MOD Single : A 49 CYS SG : rot 7:sc= 0.723 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -130:sc=0.000456 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -79:sc= 0.878 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= -0.901 (180deg=-5.01!) USER MOD Single : A 93 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.26) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.956 USER MOD Single : A 100 CYS SG : rot -100:sc= 0.747 USER MOD Single : A 101 THR OG1 : rot 116:sc= -0.0127 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -161:sc= 0 (180deg=-0.665) USER MOD Single : A 111 MET CE :methyl 139:sc= -0.513 (180deg=-2.13) USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0242) USER MOD Single : A 114 MET CE :methyl 165:sc= -1.77 (180deg=-2.04!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -57:sc= 0.784 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -105:sc= 1.22 USER MOD Single : A 127 SER OG : rot 30:sc= 0.213 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.500 -5.853 -35.822 1.00 0.00 N ATOM 2 CA GLY A 1 -26.209 -5.617 -34.420 1.00 0.00 C ATOM 3 C GLY A 1 -27.022 -4.475 -33.843 1.00 0.00 C ATOM 4 O GLY A 1 -26.678 -3.307 -34.022 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.919 -6.643 -36.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.507 -6.089 -35.933 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.283 -4.997 -36.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.411 -6.525 -33.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.148 -5.398 -34.304 1.00 0.00 H new ATOM 8 N SER A 2 -28.106 -4.813 -33.151 1.00 0.00 N ATOM 9 CA SER A 2 -28.974 -3.807 -32.551 1.00 0.00 C ATOM 10 C SER A 2 -28.769 -3.743 -31.041 1.00 0.00 C ATOM 11 O SER A 2 -29.729 -3.638 -30.277 1.00 0.00 O ATOM 12 CB SER A 2 -30.439 -4.113 -32.866 1.00 0.00 C ATOM 13 OG SER A 2 -30.815 -3.572 -34.121 1.00 0.00 O ATOM 0 H SER A 2 -28.404 -5.776 -32.992 1.00 0.00 H new ATOM 0 HA SER A 2 -28.713 -2.838 -32.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.596 -5.192 -32.870 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.076 -3.701 -32.083 1.00 0.00 H new ATOM 0 HG SER A 2 -31.755 -3.783 -34.300 1.00 0.00 H new ATOM 19 N SER A 3 -27.511 -3.809 -30.617 1.00 0.00 N ATOM 20 CA SER A 3 -27.179 -3.763 -29.198 1.00 0.00 C ATOM 21 C SER A 3 -26.013 -2.812 -28.943 1.00 0.00 C ATOM 22 O SER A 3 -25.161 -2.612 -29.807 1.00 0.00 O ATOM 23 CB SER A 3 -26.831 -5.163 -28.689 1.00 0.00 C ATOM 24 OG SER A 3 -27.129 -5.293 -27.309 1.00 0.00 O ATOM 0 H SER A 3 -26.705 -3.895 -31.236 1.00 0.00 H new ATOM 0 HA SER A 3 -28.051 -3.394 -28.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.388 -5.909 -29.256 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.772 -5.361 -28.856 1.00 0.00 H new ATOM 0 HG SER A 3 -26.899 -6.197 -27.008 1.00 0.00 H new ATOM 30 N GLY A 4 -25.984 -2.228 -27.749 1.00 0.00 N ATOM 31 CA GLY A 4 -24.920 -1.305 -27.400 1.00 0.00 C ATOM 32 C GLY A 4 -25.235 -0.501 -26.154 1.00 0.00 C ATOM 33 O GLY A 4 -26.401 -0.260 -25.841 1.00 0.00 O ATOM 0 H GLY A 4 -26.679 -2.378 -27.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.996 -1.862 -27.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.746 -0.624 -28.233 1.00 0.00 H new ATOM 37 N SER A 5 -24.193 -0.087 -25.441 1.00 0.00 N ATOM 38 CA SER A 5 -24.364 0.690 -24.218 1.00 0.00 C ATOM 39 C SER A 5 -23.024 1.225 -23.723 1.00 0.00 C ATOM 40 O SER A 5 -22.026 0.506 -23.700 1.00 0.00 O ATOM 41 CB SER A 5 -25.018 -0.167 -23.132 1.00 0.00 C ATOM 42 OG SER A 5 -25.488 0.637 -22.064 1.00 0.00 O ATOM 0 H SER A 5 -23.222 -0.276 -25.688 1.00 0.00 H new ATOM 0 HA SER A 5 -25.013 1.537 -24.442 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.847 -0.731 -23.559 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.299 -0.894 -22.755 1.00 0.00 H new ATOM 0 HG SER A 5 -25.903 0.067 -21.384 1.00 0.00 H new ATOM 48 N SER A 6 -23.011 2.494 -23.326 1.00 0.00 N ATOM 49 CA SER A 6 -21.794 3.128 -22.834 1.00 0.00 C ATOM 50 C SER A 6 -22.089 4.524 -22.293 1.00 0.00 C ATOM 51 O SER A 6 -22.932 5.244 -22.828 1.00 0.00 O ATOM 52 CB SER A 6 -20.750 3.212 -23.949 1.00 0.00 C ATOM 53 OG SER A 6 -21.234 3.970 -25.045 1.00 0.00 O ATOM 0 H SER A 6 -23.829 3.103 -23.336 1.00 0.00 H new ATOM 0 HA SER A 6 -21.399 2.518 -22.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.837 3.666 -23.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.489 2.208 -24.284 1.00 0.00 H new ATOM 0 HG SER A 6 -20.548 4.010 -25.743 1.00 0.00 H new ATOM 59 N GLY A 7 -21.389 4.899 -21.227 1.00 0.00 N ATOM 60 CA GLY A 7 -21.589 6.207 -20.630 1.00 0.00 C ATOM 61 C GLY A 7 -21.467 6.179 -19.119 1.00 0.00 C ATOM 62 O GLY A 7 -20.482 6.662 -18.560 1.00 0.00 O ATOM 0 H GLY A 7 -20.687 4.320 -20.766 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.858 6.905 -21.038 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.575 6.582 -20.905 1.00 0.00 H new ATOM 66 N LYS A 8 -22.470 5.615 -18.456 1.00 0.00 N ATOM 67 CA LYS A 8 -22.472 5.526 -17.001 1.00 0.00 C ATOM 68 C LYS A 8 -21.059 5.314 -16.467 1.00 0.00 C ATOM 69 O LYS A 8 -20.652 5.949 -15.493 1.00 0.00 O ATOM 70 CB LYS A 8 -23.379 4.383 -16.540 1.00 0.00 C ATOM 71 CG LYS A 8 -23.451 4.234 -15.030 1.00 0.00 C ATOM 72 CD LYS A 8 -22.388 3.280 -14.513 1.00 0.00 C ATOM 73 CE LYS A 8 -22.920 1.860 -14.401 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.674 1.076 -15.644 1.00 0.00 N ATOM 0 H LYS A 8 -23.293 5.212 -18.904 1.00 0.00 H new ATOM 0 HA LYS A 8 -22.854 6.467 -16.605 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -24.384 4.549 -16.929 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -23.020 3.449 -16.972 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -23.325 5.210 -14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.438 3.869 -14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.528 3.295 -15.182 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.039 3.617 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.446 1.360 -13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.990 1.888 -14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.829 0.065 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.327 1.392 -16.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.694 1.222 -15.958 1.00 0.00 H new ATOM 88 N ARG A 9 -20.316 4.421 -17.111 1.00 0.00 N ATOM 89 CA ARG A 9 -18.948 4.127 -16.700 1.00 0.00 C ATOM 90 C ARG A 9 -18.252 5.384 -16.188 1.00 0.00 C ATOM 91 O ARG A 9 -18.484 6.483 -16.691 1.00 0.00 O ATOM 92 CB ARG A 9 -18.158 3.533 -17.868 1.00 0.00 C ATOM 93 CG ARG A 9 -18.625 2.146 -18.277 1.00 0.00 C ATOM 94 CD ARG A 9 -18.055 1.074 -17.361 1.00 0.00 C ATOM 95 NE ARG A 9 -18.643 -0.237 -17.620 1.00 0.00 N ATOM 96 CZ ARG A 9 -18.589 -1.249 -16.761 1.00 0.00 C ATOM 97 NH1 ARG A 9 -17.977 -1.101 -15.594 1.00 0.00 N ATOM 98 NH2 ARG A 9 -19.148 -2.412 -17.069 1.00 0.00 N ATOM 0 H ARG A 9 -20.638 3.888 -17.919 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.987 3.399 -15.890 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.237 4.201 -18.726 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.104 3.486 -17.596 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -19.714 2.106 -18.253 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -18.322 1.947 -19.305 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.975 1.020 -17.495 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.233 1.352 -16.322 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.121 -0.384 -18.509 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.546 -0.208 -15.354 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.937 -1.880 -14.937 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.620 -2.530 -17.966 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.106 -3.189 -16.409 1.00 0.00 H new ATOM 112 N SER A 10 -17.397 5.214 -15.184 1.00 0.00 N ATOM 113 CA SER A 10 -16.670 6.335 -14.601 1.00 0.00 C ATOM 114 C SER A 10 -15.181 6.244 -14.923 1.00 0.00 C ATOM 115 O SER A 10 -14.637 5.153 -15.089 1.00 0.00 O ATOM 116 CB SER A 10 -16.875 6.370 -13.085 1.00 0.00 C ATOM 117 OG SER A 10 -16.309 7.541 -12.521 1.00 0.00 O ATOM 0 H SER A 10 -17.191 4.310 -14.758 1.00 0.00 H new ATOM 0 HA SER A 10 -17.062 7.255 -15.035 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.940 6.331 -12.858 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.421 5.488 -12.633 1.00 0.00 H new ATOM 0 HG SER A 10 -16.454 7.541 -11.552 1.00 0.00 H new ATOM 123 N ASN A 11 -14.529 7.399 -15.009 1.00 0.00 N ATOM 124 CA ASN A 11 -13.103 7.451 -15.311 1.00 0.00 C ATOM 125 C ASN A 11 -12.289 7.719 -14.049 1.00 0.00 C ATOM 126 O ASN A 11 -11.352 8.518 -14.061 1.00 0.00 O ATOM 127 CB ASN A 11 -12.821 8.534 -16.354 1.00 0.00 C ATOM 128 CG ASN A 11 -12.767 9.922 -15.746 1.00 0.00 C ATOM 129 OD1 ASN A 11 -13.184 10.129 -14.606 1.00 0.00 O ATOM 130 ND2 ASN A 11 -12.253 10.882 -16.507 1.00 0.00 N ATOM 0 H ASN A 11 -14.965 8.311 -14.874 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.806 6.483 -15.714 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.874 8.320 -16.849 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.595 8.506 -17.121 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.192 11.836 -16.152 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.919 10.665 -17.446 1.00 0.00 H new ATOM 137 N SER A 12 -12.653 7.046 -12.963 1.00 0.00 N ATOM 138 CA SER A 12 -11.958 7.214 -11.691 1.00 0.00 C ATOM 139 C SER A 12 -12.281 6.066 -10.740 1.00 0.00 C ATOM 140 O SER A 12 -13.246 5.329 -10.944 1.00 0.00 O ATOM 141 CB SER A 12 -12.344 8.548 -11.048 1.00 0.00 C ATOM 142 OG SER A 12 -13.750 8.666 -10.923 1.00 0.00 O ATOM 0 H SER A 12 -13.425 6.379 -12.937 1.00 0.00 H new ATOM 0 HA SER A 12 -10.886 7.210 -11.887 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.880 8.629 -10.065 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.959 9.371 -11.651 1.00 0.00 H new ATOM 0 HG SER A 12 -13.970 9.526 -10.508 1.00 0.00 H new ATOM 148 N ILE A 13 -11.466 5.920 -9.701 1.00 0.00 N ATOM 149 CA ILE A 13 -11.664 4.863 -8.717 1.00 0.00 C ATOM 150 C ILE A 13 -11.838 5.440 -7.317 1.00 0.00 C ATOM 151 O ILE A 13 -11.066 6.297 -6.886 1.00 0.00 O ATOM 152 CB ILE A 13 -10.484 3.873 -8.709 1.00 0.00 C ATOM 153 CG1 ILE A 13 -10.247 3.317 -10.115 1.00 0.00 C ATOM 154 CG2 ILE A 13 -10.747 2.743 -7.725 1.00 0.00 C ATOM 155 CD1 ILE A 13 -8.875 2.707 -10.300 1.00 0.00 C ATOM 0 H ILE A 13 -10.662 6.521 -9.519 1.00 0.00 H new ATOM 0 HA ILE A 13 -12.572 4.332 -9.003 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.586 4.404 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.003 2.562 -10.331 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.380 4.119 -10.841 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.904 2.052 -7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.872 3.154 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.654 2.212 -8.015 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.777 2.334 -11.319 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.112 3.464 -10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.745 1.883 -9.598 1.00 0.00 H new ATOM 167 N LYS A 14 -12.857 4.964 -6.609 1.00 0.00 N ATOM 168 CA LYS A 14 -13.133 5.430 -5.255 1.00 0.00 C ATOM 169 C LYS A 14 -12.916 4.311 -4.241 1.00 0.00 C ATOM 170 O LYS A 14 -13.349 3.178 -4.451 1.00 0.00 O ATOM 171 CB LYS A 14 -14.567 5.953 -5.156 1.00 0.00 C ATOM 172 CG LYS A 14 -14.781 6.929 -4.011 1.00 0.00 C ATOM 173 CD LYS A 14 -15.092 6.205 -2.712 1.00 0.00 C ATOM 174 CE LYS A 14 -15.983 7.042 -1.807 1.00 0.00 C ATOM 175 NZ LYS A 14 -16.806 6.193 -0.901 1.00 0.00 N ATOM 0 H LYS A 14 -13.506 4.255 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.442 6.241 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.832 6.442 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.245 5.108 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.889 7.542 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.600 7.606 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.583 5.257 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.162 5.971 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.366 7.716 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.638 7.664 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.399 6.800 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.413 5.567 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.181 5.618 -0.301 1.00 0.00 H new ATOM 189 N ARG A 15 -12.247 4.638 -3.140 1.00 0.00 N ATOM 190 CA ARG A 15 -11.974 3.661 -2.094 1.00 0.00 C ATOM 191 C ARG A 15 -13.079 3.668 -1.042 1.00 0.00 C ATOM 192 O ARG A 15 -13.355 4.696 -0.424 1.00 0.00 O ATOM 193 CB ARG A 15 -10.625 3.952 -1.434 1.00 0.00 C ATOM 194 CG ARG A 15 -10.421 3.219 -0.117 1.00 0.00 C ATOM 195 CD ARG A 15 -8.966 3.264 0.324 1.00 0.00 C ATOM 196 NE ARG A 15 -8.759 2.574 1.595 1.00 0.00 N ATOM 197 CZ ARG A 15 -8.991 3.129 2.779 1.00 0.00 C ATOM 198 NH1 ARG A 15 -9.436 4.375 2.855 1.00 0.00 N ATOM 199 NH2 ARG A 15 -8.778 2.436 3.891 1.00 0.00 N ATOM 0 H ARG A 15 -11.884 5.572 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.940 2.673 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.826 3.675 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.539 5.025 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.050 3.668 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.739 2.182 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.340 2.807 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.648 4.302 0.419 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.418 1.613 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.601 4.910 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.613 4.799 3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.436 1.477 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.956 2.863 4.800 1.00 0.00 H new ATOM 213 N ASN A 16 -13.709 2.514 -0.844 1.00 0.00 N ATOM 214 CA ASN A 16 -14.785 2.388 0.133 1.00 0.00 C ATOM 215 C ASN A 16 -14.225 2.145 1.531 1.00 0.00 C ATOM 216 O ASN A 16 -13.627 1.107 1.815 1.00 0.00 O ATOM 217 CB ASN A 16 -15.725 1.246 -0.258 1.00 0.00 C ATOM 218 CG ASN A 16 -17.109 1.407 0.339 1.00 0.00 C ATOM 219 OD1 ASN A 16 -17.191 1.359 1.664 1.00 0.00 O flip ATOM 220 ND2 ASN A 16 -18.093 1.573 -0.382 1.00 0.00 N flip ATOM 0 H ASN A 16 -13.493 1.653 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.345 3.323 0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -15.804 1.200 -1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.298 0.299 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -17.983 1.603 -1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -19.018 1.680 0.034 1.00 0.00 H new ATOM 227 N PRO A 17 -14.423 3.124 2.426 1.00 0.00 N ATOM 228 CA PRO A 17 -13.947 3.039 3.810 1.00 0.00 C ATOM 229 C PRO A 17 -14.346 1.730 4.482 1.00 0.00 C ATOM 230 O PRO A 17 -13.492 0.951 4.901 1.00 0.00 O ATOM 231 CB PRO A 17 -14.634 4.223 4.495 1.00 0.00 C ATOM 232 CG PRO A 17 -14.869 5.209 3.402 1.00 0.00 C ATOM 233 CD PRO A 17 -15.127 4.389 2.157 1.00 0.00 C ATOM 0 HA PRO A 17 -12.859 3.068 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.571 3.920 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.007 4.645 5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.720 5.851 3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.005 5.860 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.193 4.229 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.740 4.882 1.265 1.00 0.00 H new ATOM 241 N ASN A 18 -15.651 1.495 4.580 1.00 0.00 N ATOM 242 CA ASN A 18 -16.164 0.279 5.201 1.00 0.00 C ATOM 243 C ASN A 18 -15.331 -0.933 4.794 1.00 0.00 C ATOM 244 O ASN A 18 -14.893 -1.710 5.641 1.00 0.00 O ATOM 245 CB ASN A 18 -17.627 0.060 4.811 1.00 0.00 C ATOM 246 CG ASN A 18 -18.582 0.851 5.684 1.00 0.00 C ATOM 247 OD1 ASN A 18 -18.832 0.492 6.835 1.00 0.00 O ATOM 248 ND2 ASN A 18 -19.122 1.935 5.138 1.00 0.00 N ATOM 0 H ASN A 18 -16.372 2.130 4.238 1.00 0.00 H new ATOM 0 HA ASN A 18 -16.097 0.397 6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.769 0.347 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.865 -1.001 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -19.772 2.507 5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.886 2.195 4.180 1.00 0.00 H new ATOM 255 N ALA A 19 -15.115 -1.085 3.492 1.00 0.00 N ATOM 256 CA ALA A 19 -14.332 -2.200 2.972 1.00 0.00 C ATOM 257 C ALA A 19 -13.170 -2.535 3.901 1.00 0.00 C ATOM 258 O ALA A 19 -12.141 -1.859 3.915 1.00 0.00 O ATOM 259 CB ALA A 19 -13.820 -1.880 1.576 1.00 0.00 C ATOM 0 H ALA A 19 -15.471 -0.450 2.777 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.982 -3.074 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.237 -2.721 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.665 -1.698 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.191 -0.991 1.614 1.00 0.00 H new ATOM 265 N PRO A 20 -13.336 -3.602 4.697 1.00 0.00 N ATOM 266 CA PRO A 20 -12.310 -4.050 5.643 1.00 0.00 C ATOM 267 C PRO A 20 -10.916 -4.061 5.026 1.00 0.00 C ATOM 268 O PRO A 20 -10.700 -4.651 3.967 1.00 0.00 O ATOM 269 CB PRO A 20 -12.750 -5.473 5.996 1.00 0.00 C ATOM 270 CG PRO A 20 -14.229 -5.469 5.812 1.00 0.00 C ATOM 271 CD PRO A 20 -14.536 -4.453 4.733 1.00 0.00 C ATOM 0 HA PRO A 20 -12.233 -3.387 6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.272 -6.207 5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.479 -5.728 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.585 -6.458 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.733 -5.208 6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.714 -4.933 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.429 -3.875 4.971 1.00 0.00 H new ATOM 279 N VAL A 21 -9.972 -3.406 5.694 1.00 0.00 N ATOM 280 CA VAL A 21 -8.598 -3.343 5.211 1.00 0.00 C ATOM 281 C VAL A 21 -7.815 -4.586 5.617 1.00 0.00 C ATOM 282 O VAL A 21 -7.853 -5.008 6.773 1.00 0.00 O ATOM 283 CB VAL A 21 -7.872 -2.094 5.748 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.427 -2.072 5.273 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.601 -0.830 5.320 1.00 0.00 C ATOM 0 H VAL A 21 -10.134 -2.911 6.571 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.647 -3.287 4.124 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.871 -2.135 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.930 -1.183 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.912 -2.963 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.402 -2.054 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.075 0.042 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.634 -0.780 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.617 -0.845 5.713 1.00 0.00 H new ATOM 295 N VAL A 22 -7.103 -5.170 4.658 1.00 0.00 N ATOM 296 CA VAL A 22 -6.308 -6.365 4.915 1.00 0.00 C ATOM 297 C VAL A 22 -5.083 -6.038 5.762 1.00 0.00 C ATOM 298 O VAL A 22 -4.798 -6.720 6.748 1.00 0.00 O ATOM 299 CB VAL A 22 -5.849 -7.027 3.602 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.049 -8.288 3.891 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.046 -7.336 2.715 1.00 0.00 C ATOM 0 H VAL A 22 -7.061 -4.835 3.696 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.948 -7.060 5.459 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.202 -6.329 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.733 -8.742 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.171 -8.034 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.669 -8.993 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.704 -7.803 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.720 -8.015 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.573 -6.411 2.480 1.00 0.00 H new ATOM 311 N ARG A 23 -4.363 -4.992 5.373 1.00 0.00 N ATOM 312 CA ARG A 23 -3.168 -4.575 6.096 1.00 0.00 C ATOM 313 C ARG A 23 -2.633 -3.255 5.548 1.00 0.00 C ATOM 314 O ARG A 23 -2.669 -3.013 4.342 1.00 0.00 O ATOM 315 CB ARG A 23 -2.087 -5.654 6.003 1.00 0.00 C ATOM 316 CG ARG A 23 -0.835 -5.333 6.803 1.00 0.00 C ATOM 317 CD ARG A 23 -0.994 -5.722 8.265 1.00 0.00 C ATOM 318 NE ARG A 23 -1.246 -7.151 8.427 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.479 -7.727 9.601 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.492 -7.000 10.710 1.00 0.00 N ATOM 321 NH2 ARG A 23 -1.700 -9.034 9.668 1.00 0.00 N ATOM 0 H ARG A 23 -4.586 -4.417 4.561 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.439 -4.431 7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.499 -6.600 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.814 -5.793 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.017 -5.861 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.618 -4.267 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.092 -5.449 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.817 -5.157 8.703 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.243 -7.739 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.323 -5.995 10.663 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.671 -7.446 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.691 -9.597 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.879 -9.475 10.570 1.00 0.00 H new ATOM 335 N ARG A 24 -2.138 -2.406 6.443 1.00 0.00 N ATOM 336 CA ARG A 24 -1.598 -1.111 6.049 1.00 0.00 C ATOM 337 C ARG A 24 -0.250 -0.858 6.718 1.00 0.00 C ATOM 338 O ARG A 24 -0.152 -0.814 7.944 1.00 0.00 O ATOM 339 CB ARG A 24 -2.577 0.006 6.414 1.00 0.00 C ATOM 340 CG ARG A 24 -3.014 -0.018 7.870 1.00 0.00 C ATOM 341 CD ARG A 24 -4.176 0.931 8.119 1.00 0.00 C ATOM 342 NE ARG A 24 -4.721 0.788 9.466 1.00 0.00 N ATOM 343 CZ ARG A 24 -5.902 1.270 9.836 1.00 0.00 C ATOM 344 NH1 ARG A 24 -6.658 1.922 8.965 1.00 0.00 N ATOM 345 NH2 ARG A 24 -6.329 1.099 11.081 1.00 0.00 N ATOM 0 H ARG A 24 -2.100 -2.592 7.445 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.453 -1.120 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.113 0.969 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.458 -0.073 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.305 -1.031 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.174 0.258 8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.843 1.958 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.962 0.741 7.388 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.164 0.291 10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.334 2.055 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.565 2.291 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.750 0.597 11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.236 1.469 11.364 1.00 0.00 H new ATOM 359 N GLY A 25 0.788 -0.693 5.903 1.00 0.00 N ATOM 360 CA GLY A 25 2.116 -0.448 6.433 1.00 0.00 C ATOM 361 C GLY A 25 3.020 0.247 5.434 1.00 0.00 C ATOM 362 O GLY A 25 2.945 -0.014 4.234 1.00 0.00 O ATOM 0 H GLY A 25 0.732 -0.725 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.038 0.162 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.567 -1.396 6.728 1.00 0.00 H new ATOM 366 N TRP A 26 3.875 1.134 5.930 1.00 0.00 N ATOM 367 CA TRP A 26 4.796 1.869 5.071 1.00 0.00 C ATOM 368 C TRP A 26 5.635 0.915 4.228 1.00 0.00 C ATOM 369 O TRP A 26 6.627 0.360 4.702 1.00 0.00 O ATOM 370 CB TRP A 26 5.710 2.761 5.914 1.00 0.00 C ATOM 371 CG TRP A 26 4.990 3.908 6.558 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.365 3.904 7.772 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.821 5.224 6.021 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.817 5.139 8.022 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.083 5.967 6.964 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.222 5.848 4.837 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.739 7.300 6.756 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.879 7.171 4.632 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.145 7.886 5.588 1.00 0.00 C ATOM 0 H TRP A 26 3.950 1.362 6.921 1.00 0.00 H new ATOM 0 HA TRP A 26 4.206 2.494 4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.182 2.157 6.689 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.509 3.151 5.283 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.310 3.055 8.438 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.296 5.397 8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.790 5.306 4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.172 7.852 7.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.182 7.662 3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.895 8.920 5.399 1.00 0.00 H new ATOM 390 N LEU A 27 5.231 0.728 2.976 1.00 0.00 N ATOM 391 CA LEU A 27 5.946 -0.160 2.067 1.00 0.00 C ATOM 392 C LEU A 27 6.922 0.624 1.195 1.00 0.00 C ATOM 393 O LEU A 27 6.791 1.838 1.036 1.00 0.00 O ATOM 394 CB LEU A 27 4.957 -0.923 1.184 1.00 0.00 C ATOM 395 CG LEU A 27 5.564 -1.948 0.225 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.240 -3.068 0.999 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.496 -2.507 -0.704 1.00 0.00 C ATOM 0 H LEU A 27 4.412 1.179 2.568 1.00 0.00 H new ATOM 0 HA LEU A 27 6.513 -0.872 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.246 -1.437 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.390 -0.199 0.599 1.00 0.00 H new ATOM 0 HG LEU A 27 6.319 -1.447 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.666 -3.788 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.033 -2.653 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.506 -3.567 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.946 -3.235 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.718 -2.992 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.058 -1.695 -1.285 1.00 0.00 H new ATOM 409 N TYR A 28 7.899 -0.078 0.631 1.00 0.00 N ATOM 410 CA TYR A 28 8.897 0.552 -0.224 1.00 0.00 C ATOM 411 C TYR A 28 8.734 0.104 -1.673 1.00 0.00 C ATOM 412 O TYR A 28 8.452 -1.063 -1.947 1.00 0.00 O ATOM 413 CB TYR A 28 10.306 0.219 0.269 1.00 0.00 C ATOM 414 CG TYR A 28 10.431 0.198 1.776 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.436 1.378 2.509 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.542 -1.003 2.466 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.551 1.363 3.885 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.656 -1.028 3.843 1.00 0.00 C ATOM 419 CZ TYR A 28 10.660 0.158 4.548 1.00 0.00 C ATOM 420 OH TYR A 28 10.773 0.139 5.919 1.00 0.00 O ATOM 0 H TYR A 28 8.021 -1.084 0.751 1.00 0.00 H new ATOM 0 HA TYR A 28 8.749 1.631 -0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.599 -0.754 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.006 0.951 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.348 2.323 1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.539 -1.933 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.556 2.290 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.741 -1.970 4.364 1.00 0.00 H new ATOM 0 HH TYR A 28 11.045 -0.756 6.212 1.00 0.00 H new ATOM 430 N LYS A 29 8.914 1.039 -2.599 1.00 0.00 N ATOM 431 CA LYS A 29 8.790 0.743 -4.022 1.00 0.00 C ATOM 432 C LYS A 29 9.960 1.330 -4.804 1.00 0.00 C ATOM 433 O LYS A 29 10.513 2.363 -4.429 1.00 0.00 O ATOM 434 CB LYS A 29 7.471 1.297 -4.565 1.00 0.00 C ATOM 435 CG LYS A 29 6.942 0.536 -5.769 1.00 0.00 C ATOM 436 CD LYS A 29 5.972 1.379 -6.580 1.00 0.00 C ATOM 437 CE LYS A 29 4.752 1.768 -5.760 1.00 0.00 C ATOM 438 NZ LYS A 29 4.219 3.101 -6.156 1.00 0.00 N ATOM 0 H LYS A 29 9.147 2.010 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 29 8.801 -0.340 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.723 1.273 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.611 2.343 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.775 0.229 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.443 -0.374 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.477 2.278 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.656 0.824 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.975 1.014 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.015 1.782 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.388 3.330 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.952 3.825 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.944 3.081 -7.159 1.00 0.00 H new ATOM 452 N GLN A 30 10.332 0.664 -5.893 1.00 0.00 N ATOM 453 CA GLN A 30 11.436 1.121 -6.728 1.00 0.00 C ATOM 454 C GLN A 30 10.919 1.859 -7.958 1.00 0.00 C ATOM 455 O GLN A 30 9.776 1.668 -8.374 1.00 0.00 O ATOM 456 CB GLN A 30 12.303 -0.064 -7.156 1.00 0.00 C ATOM 457 CG GLN A 30 13.725 0.325 -7.528 1.00 0.00 C ATOM 458 CD GLN A 30 14.534 -0.846 -8.048 1.00 0.00 C ATOM 459 OE1 GLN A 30 14.281 -1.354 -9.141 1.00 0.00 O ATOM 460 NE2 GLN A 30 15.515 -1.283 -7.266 1.00 0.00 N ATOM 0 H GLN A 30 9.885 -0.194 -6.217 1.00 0.00 H new ATOM 0 HA GLN A 30 12.041 1.812 -6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.335 -0.792 -6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.835 -0.557 -8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.697 1.107 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.223 0.746 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.690 -0.833 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.093 -2.069 -7.564 1.00 0.00 H new ATOM 469 N ASP A 31 11.768 2.702 -8.536 1.00 0.00 N ATOM 470 CA ASP A 31 11.397 3.469 -9.719 1.00 0.00 C ATOM 471 C ASP A 31 12.296 3.115 -10.900 1.00 0.00 C ATOM 472 O ASP A 31 13.492 3.405 -10.891 1.00 0.00 O ATOM 473 CB ASP A 31 11.482 4.969 -9.429 1.00 0.00 C ATOM 474 CG ASP A 31 10.234 5.499 -8.752 1.00 0.00 C ATOM 475 OD1 ASP A 31 9.977 5.110 -7.593 1.00 0.00 O ATOM 476 OD2 ASP A 31 9.513 6.303 -9.380 1.00 0.00 O ATOM 0 H ASP A 31 12.718 2.871 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 31 10.369 3.215 -9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.347 5.165 -8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.642 5.508 -10.363 1.00 0.00 H new ATOM 481 N SER A 32 11.711 2.485 -11.914 1.00 0.00 N ATOM 482 CA SER A 32 12.461 2.087 -13.100 1.00 0.00 C ATOM 483 C SER A 32 13.278 3.254 -13.644 1.00 0.00 C ATOM 484 O SER A 32 14.445 3.096 -14.006 1.00 0.00 O ATOM 485 CB SER A 32 11.509 1.569 -14.180 1.00 0.00 C ATOM 486 OG SER A 32 12.227 1.012 -15.268 1.00 0.00 O ATOM 0 H SER A 32 10.721 2.239 -11.938 1.00 0.00 H new ATOM 0 HA SER A 32 13.146 1.289 -12.815 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.846 0.816 -13.754 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.879 2.384 -14.535 1.00 0.00 H new ATOM 0 HG SER A 32 11.596 0.687 -15.944 1.00 0.00 H new ATOM 492 N THR A 33 12.658 4.429 -13.697 1.00 0.00 N ATOM 493 CA THR A 33 13.326 5.624 -14.198 1.00 0.00 C ATOM 494 C THR A 33 14.479 6.031 -13.287 1.00 0.00 C ATOM 495 O THR A 33 14.525 5.648 -12.119 1.00 0.00 O ATOM 496 CB THR A 33 12.345 6.805 -14.324 1.00 0.00 C ATOM 497 OG1 THR A 33 11.756 7.091 -13.050 1.00 0.00 O ATOM 498 CG2 THR A 33 11.252 6.494 -15.335 1.00 0.00 C ATOM 0 H THR A 33 11.694 4.578 -13.399 1.00 0.00 H new ATOM 0 HA THR A 33 13.716 5.378 -15.186 1.00 0.00 H new ATOM 0 HB THR A 33 12.902 7.676 -14.670 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.135 7.844 -13.138 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.571 7.342 -15.407 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.701 6.305 -16.310 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.699 5.611 -15.013 1.00 0.00 H new ATOM 506 N GLY A 34 15.408 6.813 -13.830 1.00 0.00 N ATOM 507 CA GLY A 34 16.548 7.259 -13.051 1.00 0.00 C ATOM 508 C GLY A 34 17.144 6.151 -12.206 1.00 0.00 C ATOM 509 O GLY A 34 17.095 4.980 -12.583 1.00 0.00 O ATOM 0 H GLY A 34 15.391 7.145 -14.794 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.312 7.650 -13.723 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.242 8.081 -12.403 1.00 0.00 H new ATOM 513 N MET A 35 17.709 6.520 -11.062 1.00 0.00 N ATOM 514 CA MET A 35 18.318 5.547 -10.162 1.00 0.00 C ATOM 515 C MET A 35 17.258 4.638 -9.547 1.00 0.00 C ATOM 516 O MET A 35 16.131 5.064 -9.294 1.00 0.00 O ATOM 517 CB MET A 35 19.097 6.261 -9.056 1.00 0.00 C ATOM 518 CG MET A 35 19.885 5.317 -8.161 1.00 0.00 C ATOM 519 SD MET A 35 21.462 4.829 -8.884 1.00 0.00 S ATOM 520 CE MET A 35 22.503 6.198 -8.382 1.00 0.00 C ATOM 0 H MET A 35 17.758 7.485 -10.736 1.00 0.00 H new ATOM 0 HA MET A 35 19.006 4.933 -10.743 1.00 0.00 H new ATOM 0 HB2 MET A 35 19.783 6.976 -9.510 1.00 0.00 H new ATOM 0 HB3 MET A 35 18.400 6.833 -8.443 1.00 0.00 H new ATOM 0 HG2 MET A 35 20.064 5.799 -7.200 1.00 0.00 H new ATOM 0 HG3 MET A 35 19.289 4.426 -7.965 1.00 0.00 H new ATOM 0 HE1 MET A 35 23.515 6.041 -8.755 1.00 0.00 H new ATOM 0 HE2 MET A 35 22.105 7.127 -8.791 1.00 0.00 H new ATOM 0 HE3 MET A 35 22.523 6.260 -7.294 1.00 0.00 H new ATOM 530 N LYS A 36 17.627 3.384 -9.310 1.00 0.00 N ATOM 531 CA LYS A 36 16.709 2.414 -8.724 1.00 0.00 C ATOM 532 C LYS A 36 16.730 2.496 -7.201 1.00 0.00 C ATOM 533 O LYS A 36 17.369 1.681 -6.534 1.00 0.00 O ATOM 534 CB LYS A 36 17.075 0.998 -9.174 1.00 0.00 C ATOM 535 CG LYS A 36 16.737 0.715 -10.628 1.00 0.00 C ATOM 536 CD LYS A 36 17.825 1.219 -11.561 1.00 0.00 C ATOM 537 CE LYS A 36 17.721 0.577 -12.936 1.00 0.00 C ATOM 538 NZ LYS A 36 18.664 1.195 -13.909 1.00 0.00 N ATOM 0 H LYS A 36 18.556 3.015 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 36 15.702 2.650 -9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 36 18.143 0.842 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.554 0.279 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.603 -0.357 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.790 1.191 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.750 2.302 -11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.803 1.004 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.930 -0.490 -12.855 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.701 0.675 -13.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.563 0.730 -14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.449 2.208 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.640 1.079 -13.568 1.00 0.00 H new ATOM 552 N LEU A 37 16.026 3.482 -6.657 1.00 0.00 N ATOM 553 CA LEU A 37 15.962 3.670 -5.211 1.00 0.00 C ATOM 554 C LEU A 37 14.583 3.301 -4.675 1.00 0.00 C ATOM 555 O LEU A 37 13.626 3.164 -5.437 1.00 0.00 O ATOM 556 CB LEU A 37 16.292 5.119 -4.850 1.00 0.00 C ATOM 557 CG LEU A 37 17.616 5.661 -5.390 1.00 0.00 C ATOM 558 CD1 LEU A 37 17.650 7.178 -5.294 1.00 0.00 C ATOM 559 CD2 LEU A 37 18.789 5.050 -4.638 1.00 0.00 C ATOM 0 H LEU A 37 15.491 4.164 -7.195 1.00 0.00 H new ATOM 0 HA LEU A 37 16.698 3.011 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.486 5.756 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.302 5.208 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 37 17.700 5.382 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.600 7.546 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.831 7.598 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.544 7.479 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.723 5.447 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.711 5.297 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.775 3.967 -4.759 1.00 0.00 H new ATOM 571 N TRP A 38 14.488 3.144 -3.359 1.00 0.00 N ATOM 572 CA TRP A 38 13.225 2.794 -2.720 1.00 0.00 C ATOM 573 C TRP A 38 12.721 3.937 -1.846 1.00 0.00 C ATOM 574 O TRP A 38 13.465 4.483 -1.031 1.00 0.00 O ATOM 575 CB TRP A 38 13.389 1.527 -1.879 1.00 0.00 C ATOM 576 CG TRP A 38 13.975 0.378 -2.644 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.300 0.125 -2.855 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.254 -0.671 -3.299 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.447 -1.018 -3.603 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.207 -1.526 -3.887 1.00 0.00 C ATOM 581 CE3 TRP A 38 11.897 -0.973 -3.445 1.00 0.00 C ATOM 582 CZ2 TRP A 38 13.843 -2.660 -4.609 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.539 -2.098 -4.163 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.508 -2.931 -4.737 1.00 0.00 C ATOM 0 H TRP A 38 15.271 3.254 -2.714 1.00 0.00 H new ATOM 0 HA TRP A 38 12.490 2.609 -3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.027 1.748 -1.023 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.416 1.233 -1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.113 0.734 -2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.335 -1.423 -3.899 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.142 -0.339 -3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.589 -3.303 -5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.493 -2.339 -4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.195 -3.804 -5.291 1.00 0.00 H new ATOM 595 N LYS A 39 11.453 4.295 -2.021 1.00 0.00 N ATOM 596 CA LYS A 39 10.849 5.373 -1.247 1.00 0.00 C ATOM 597 C LYS A 39 9.832 4.824 -0.252 1.00 0.00 C ATOM 598 O LYS A 39 9.158 3.830 -0.522 1.00 0.00 O ATOM 599 CB LYS A 39 10.173 6.381 -2.180 1.00 0.00 C ATOM 600 CG LYS A 39 11.149 7.313 -2.878 1.00 0.00 C ATOM 601 CD LYS A 39 11.770 6.655 -4.100 1.00 0.00 C ATOM 602 CE LYS A 39 12.427 7.681 -5.011 1.00 0.00 C ATOM 603 NZ LYS A 39 13.058 7.043 -6.199 1.00 0.00 N ATOM 0 H LYS A 39 10.824 3.854 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 39 11.640 5.876 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.600 5.839 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.463 6.976 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.632 8.225 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.935 7.606 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.511 5.921 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.002 6.114 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.681 8.405 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.182 8.233 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.800 7.667 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.479 6.133 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.337 6.882 -6.931 1.00 0.00 H new ATOM 617 N LYS A 40 9.724 5.479 0.899 1.00 0.00 N ATOM 618 CA LYS A 40 8.787 5.059 1.934 1.00 0.00 C ATOM 619 C LYS A 40 7.466 5.811 1.809 1.00 0.00 C ATOM 620 O LYS A 40 7.431 7.039 1.876 1.00 0.00 O ATOM 621 CB LYS A 40 9.390 5.293 3.321 1.00 0.00 C ATOM 622 CG LYS A 40 8.562 4.705 4.451 1.00 0.00 C ATOM 623 CD LYS A 40 9.370 4.585 5.732 1.00 0.00 C ATOM 624 CE LYS A 40 8.519 4.071 6.882 1.00 0.00 C ATOM 625 NZ LYS A 40 9.045 4.515 8.203 1.00 0.00 N ATOM 0 H LYS A 40 10.274 6.304 1.139 1.00 0.00 H new ATOM 0 HA LYS A 40 8.593 3.994 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.390 4.860 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.502 6.365 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.689 5.333 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.193 3.722 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.211 3.911 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.787 5.558 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.495 4.424 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.487 2.982 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.437 4.144 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.013 4.157 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.052 5.554 8.242 1.00 0.00 H new ATOM 639 N ARG A 41 6.381 5.065 1.628 1.00 0.00 N ATOM 640 CA ARG A 41 5.057 5.661 1.494 1.00 0.00 C ATOM 641 C ARG A 41 4.011 4.836 2.239 1.00 0.00 C ATOM 642 O ARG A 41 4.205 3.645 2.482 1.00 0.00 O ATOM 643 CB ARG A 41 4.674 5.778 0.018 1.00 0.00 C ATOM 644 CG ARG A 41 5.160 7.060 -0.638 1.00 0.00 C ATOM 645 CD ARG A 41 4.131 8.173 -0.515 1.00 0.00 C ATOM 646 NE ARG A 41 4.302 9.192 -1.547 1.00 0.00 N ATOM 647 CZ ARG A 41 5.185 10.181 -1.464 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.974 10.282 -0.403 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.282 11.070 -2.444 1.00 0.00 N ATOM 0 H ARG A 41 6.393 4.047 1.571 1.00 0.00 H new ATOM 0 HA ARG A 41 5.089 6.658 1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.083 4.925 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.589 5.722 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.095 7.375 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.372 6.874 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.129 7.750 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.213 8.636 0.469 1.00 0.00 H new ATOM 0 HE ARG A 41 3.711 9.142 -2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.904 9.599 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.651 11.042 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.678 10.995 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.960 11.829 -2.379 1.00 0.00 H new ATOM 663 N TRP A 42 2.905 5.477 2.597 1.00 0.00 N ATOM 664 CA TRP A 42 1.829 4.802 3.314 1.00 0.00 C ATOM 665 C TRP A 42 0.955 4.001 2.356 1.00 0.00 C ATOM 666 O TRP A 42 0.147 4.566 1.618 1.00 0.00 O ATOM 667 CB TRP A 42 0.976 5.821 4.071 1.00 0.00 C ATOM 668 CG TRP A 42 -0.015 5.191 5.003 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.357 5.436 5.059 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.259 4.213 6.012 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.934 4.669 6.043 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.964 3.910 6.641 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.418 3.563 6.444 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -1.058 2.986 7.679 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.323 2.647 7.474 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.093 2.365 8.082 1.00 0.00 C ATOM 0 H TRP A 42 2.729 6.463 2.403 1.00 0.00 H new ATOM 0 HA TRP A 42 2.279 4.112 4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.631 6.481 4.640 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.443 6.443 3.352 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.887 6.130 4.424 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.924 4.666 6.288 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.371 3.773 5.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.005 2.767 8.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.213 2.139 7.816 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.052 1.643 8.885 1.00 0.00 H new ATOM 687 N PHE A 43 1.121 2.683 2.372 1.00 0.00 N ATOM 688 CA PHE A 43 0.346 1.804 1.503 1.00 0.00 C ATOM 689 C PHE A 43 -0.739 1.078 2.291 1.00 0.00 C ATOM 690 O PHE A 43 -0.528 0.678 3.436 1.00 0.00 O ATOM 691 CB PHE A 43 1.264 0.787 0.822 1.00 0.00 C ATOM 692 CG PHE A 43 1.958 1.326 -0.397 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.372 1.217 -1.648 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.194 1.943 -0.291 1.00 0.00 C ATOM 695 CE1 PHE A 43 2.008 1.712 -2.771 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.835 2.440 -1.410 1.00 0.00 C ATOM 697 CZ PHE A 43 3.241 2.325 -2.651 1.00 0.00 C ATOM 0 H PHE A 43 1.785 2.200 2.977 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.133 2.419 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.014 0.450 1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.678 -0.087 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.408 0.740 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.662 2.037 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.542 1.620 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.799 2.918 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.739 2.714 -3.527 1.00 0.00 H new ATOM 707 N VAL A 44 -1.903 0.913 1.671 1.00 0.00 N ATOM 708 CA VAL A 44 -3.023 0.235 2.313 1.00 0.00 C ATOM 709 C VAL A 44 -3.649 -0.797 1.381 1.00 0.00 C ATOM 710 O VAL A 44 -4.056 -0.475 0.264 1.00 0.00 O ATOM 711 CB VAL A 44 -4.107 1.236 2.754 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.352 0.502 3.227 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.573 2.153 3.844 1.00 0.00 C ATOM 0 H VAL A 44 -2.095 1.240 0.724 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.625 -0.269 3.193 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.381 1.850 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.106 1.226 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.745 -0.109 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.098 -0.138 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.352 2.854 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.270 1.557 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.713 2.706 3.465 1.00 0.00 H new ATOM 723 N LEU A 45 -3.723 -2.039 1.847 1.00 0.00 N ATOM 724 CA LEU A 45 -4.300 -3.120 1.056 1.00 0.00 C ATOM 725 C LEU A 45 -5.764 -3.342 1.423 1.00 0.00 C ATOM 726 O LEU A 45 -6.071 -3.939 2.454 1.00 0.00 O ATOM 727 CB LEU A 45 -3.508 -4.411 1.266 1.00 0.00 C ATOM 728 CG LEU A 45 -3.517 -5.401 0.101 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.834 -6.160 0.055 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.270 -4.678 -1.216 1.00 0.00 C ATOM 0 H LEU A 45 -3.391 -2.322 2.769 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.247 -2.836 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.473 -4.147 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.902 -4.916 2.148 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.712 -6.120 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.822 -6.860 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.970 -6.709 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.656 -5.455 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.280 -5.398 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.053 -3.936 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.301 -4.181 -1.182 1.00 0.00 H new ATOM 742 N SER A 46 -6.662 -2.858 0.571 1.00 0.00 N ATOM 743 CA SER A 46 -8.094 -3.003 0.807 1.00 0.00 C ATOM 744 C SER A 46 -8.854 -3.107 -0.512 1.00 0.00 C ATOM 745 O SER A 46 -8.411 -2.591 -1.539 1.00 0.00 O ATOM 746 CB SER A 46 -8.620 -1.819 1.620 1.00 0.00 C ATOM 747 OG SER A 46 -9.954 -2.044 2.044 1.00 0.00 O ATOM 0 H SER A 46 -6.424 -2.362 -0.288 1.00 0.00 H new ATOM 0 HA SER A 46 -8.254 -3.922 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.981 -1.658 2.488 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.575 -0.911 1.018 1.00 0.00 H new ATOM 0 HG SER A 46 -10.114 -1.570 2.887 1.00 0.00 H new ATOM 753 N ASP A 47 -10.000 -3.777 -0.476 1.00 0.00 N ATOM 754 CA ASP A 47 -10.824 -3.948 -1.667 1.00 0.00 C ATOM 755 C ASP A 47 -10.009 -4.548 -2.809 1.00 0.00 C ATOM 756 O ASP A 47 -10.075 -4.079 -3.946 1.00 0.00 O ATOM 757 CB ASP A 47 -11.420 -2.608 -2.098 1.00 0.00 C ATOM 758 CG ASP A 47 -12.621 -2.774 -3.009 1.00 0.00 C ATOM 759 OD1 ASP A 47 -12.477 -3.420 -4.069 1.00 0.00 O ATOM 760 OD2 ASP A 47 -13.704 -2.260 -2.661 1.00 0.00 O ATOM 0 H ASP A 47 -10.380 -4.211 0.365 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.635 -4.635 -1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.714 -2.043 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.657 -2.022 -2.611 1.00 0.00 H new ATOM 765 N LEU A 48 -9.241 -5.586 -2.499 1.00 0.00 N ATOM 766 CA LEU A 48 -8.412 -6.250 -3.499 1.00 0.00 C ATOM 767 C LEU A 48 -7.732 -5.230 -4.407 1.00 0.00 C ATOM 768 O LEU A 48 -7.665 -5.414 -5.623 1.00 0.00 O ATOM 769 CB LEU A 48 -9.258 -7.211 -4.335 1.00 0.00 C ATOM 770 CG LEU A 48 -9.961 -8.330 -3.566 1.00 0.00 C ATOM 771 CD1 LEU A 48 -10.907 -9.093 -4.480 1.00 0.00 C ATOM 772 CD2 LEU A 48 -8.940 -9.273 -2.946 1.00 0.00 C ATOM 0 H LEU A 48 -9.175 -5.986 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.640 -6.816 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.014 -6.631 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.617 -7.664 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.547 -7.881 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.398 -9.885 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.659 -8.411 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.343 -9.531 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.458 -10.063 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.328 -9.714 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.302 -8.718 -2.258 1.00 0.00 H new ATOM 784 N CYS A 49 -7.228 -4.157 -3.809 1.00 0.00 N ATOM 785 CA CYS A 49 -6.552 -3.108 -4.564 1.00 0.00 C ATOM 786 C CYS A 49 -5.515 -2.398 -3.699 1.00 0.00 C ATOM 787 O CYS A 49 -5.523 -2.522 -2.474 1.00 0.00 O ATOM 788 CB CYS A 49 -7.569 -2.097 -5.095 1.00 0.00 C ATOM 789 SG CYS A 49 -6.962 -1.092 -6.470 1.00 0.00 S ATOM 0 H CYS A 49 -7.274 -3.990 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.039 -3.573 -5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.463 -2.632 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.868 -1.437 -4.281 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.796 -1.528 -6.844 1.00 0.00 H new ATOM 795 N LEU A 50 -4.622 -1.656 -4.345 1.00 0.00 N ATOM 796 CA LEU A 50 -3.577 -0.926 -3.635 1.00 0.00 C ATOM 797 C LEU A 50 -3.895 0.564 -3.578 1.00 0.00 C ATOM 798 O LEU A 50 -4.239 1.175 -4.590 1.00 0.00 O ATOM 799 CB LEU A 50 -2.224 -1.145 -4.315 1.00 0.00 C ATOM 800 CG LEU A 50 -1.422 -2.356 -3.839 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.239 -2.609 -4.761 1.00 0.00 C ATOM 802 CD2 LEU A 50 -0.950 -2.154 -2.406 1.00 0.00 C ATOM 0 H LEU A 50 -4.600 -1.544 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.531 -1.307 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.391 -1.244 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.617 -0.252 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.071 -3.231 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.320 -3.475 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.600 -2.799 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.412 -1.734 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.381 -3.026 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.317 -1.268 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.813 -2.023 -1.754 1.00 0.00 H new ATOM 814 N PHE A 51 -3.777 1.144 -2.388 1.00 0.00 N ATOM 815 CA PHE A 51 -4.050 2.564 -2.199 1.00 0.00 C ATOM 816 C PHE A 51 -2.995 3.207 -1.304 1.00 0.00 C ATOM 817 O PHE A 51 -2.645 2.668 -0.254 1.00 0.00 O ATOM 818 CB PHE A 51 -5.441 2.760 -1.591 1.00 0.00 C ATOM 819 CG PHE A 51 -6.556 2.296 -2.483 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.835 2.958 -3.668 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.326 1.197 -2.136 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.861 2.533 -4.491 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.353 0.768 -2.955 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.621 1.437 -4.134 1.00 0.00 C ATOM 0 H PHE A 51 -3.494 0.652 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.016 3.049 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.495 2.221 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.584 3.816 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.244 3.816 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.121 0.670 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.068 3.058 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.946 -0.090 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.423 1.103 -4.775 1.00 0.00 H new ATOM 834 N TYR A 52 -2.493 4.362 -1.726 1.00 0.00 N ATOM 835 CA TYR A 52 -1.476 5.077 -0.965 1.00 0.00 C ATOM 836 C TYR A 52 -1.810 6.563 -0.872 1.00 0.00 C ATOM 837 O TYR A 52 -2.617 7.079 -1.646 1.00 0.00 O ATOM 838 CB TYR A 52 -0.102 4.891 -1.610 1.00 0.00 C ATOM 839 CG TYR A 52 -0.075 5.222 -3.085 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.265 6.526 -3.528 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.139 4.232 -4.036 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.242 6.833 -4.875 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.165 4.531 -5.384 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.027 5.832 -5.799 1.00 0.00 C ATOM 845 OH TYR A 52 -0.003 6.133 -7.141 1.00 0.00 O ATOM 0 H TYR A 52 -2.774 4.823 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.455 4.664 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.621 5.521 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.218 3.858 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.433 7.312 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.288 3.211 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.392 7.851 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.335 3.750 -6.110 1.00 0.00 H new ATOM 0 HH TYR A 52 0.160 5.316 -7.657 1.00 0.00 H new ATOM 855 N TYR A 53 -1.184 7.245 0.080 1.00 0.00 N ATOM 856 CA TYR A 53 -1.414 8.671 0.277 1.00 0.00 C ATOM 857 C TYR A 53 -0.107 9.398 0.576 1.00 0.00 C ATOM 858 O TYR A 53 0.970 8.803 0.539 1.00 0.00 O ATOM 859 CB TYR A 53 -2.409 8.896 1.417 1.00 0.00 C ATOM 860 CG TYR A 53 -3.479 7.831 1.505 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.149 6.504 1.751 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.821 8.153 1.345 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.123 5.529 1.832 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.803 7.184 1.425 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.449 5.873 1.668 1.00 0.00 C ATOM 866 OH TYR A 53 -6.422 4.905 1.750 1.00 0.00 O ATOM 0 H TYR A 53 -0.513 6.833 0.728 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.831 9.076 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.865 8.932 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.885 9.868 1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.112 6.230 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.102 9.178 1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.848 4.502 2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.842 7.452 1.298 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.299 5.330 1.853 1.00 0.00 H new ATOM 876 N ARG A 54 -0.211 10.689 0.875 1.00 0.00 N ATOM 877 CA ARG A 54 0.962 11.499 1.181 1.00 0.00 C ATOM 878 C ARG A 54 1.640 11.013 2.459 1.00 0.00 C ATOM 879 O ARG A 54 2.863 10.881 2.513 1.00 0.00 O ATOM 880 CB ARG A 54 0.569 12.970 1.327 1.00 0.00 C ATOM 881 CG ARG A 54 0.385 13.686 0.000 1.00 0.00 C ATOM 882 CD ARG A 54 1.715 13.896 -0.709 1.00 0.00 C ATOM 883 NE ARG A 54 1.592 14.809 -1.842 1.00 0.00 N ATOM 884 CZ ARG A 54 2.612 15.156 -2.619 1.00 0.00 C ATOM 885 NH1 ARG A 54 3.823 14.669 -2.386 1.00 0.00 N ATOM 886 NH2 ARG A 54 2.422 15.992 -3.632 1.00 0.00 N ATOM 0 H ARG A 54 -1.095 11.196 0.912 1.00 0.00 H new ATOM 0 HA ARG A 54 1.667 11.399 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.358 13.035 1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.335 13.486 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.281 13.106 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.095 14.650 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.444 14.291 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.096 12.936 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 54 0.673 15.201 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.973 14.026 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.604 14.937 -2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.492 16.369 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.206 16.258 -4.228 1.00 0.00 H new ATOM 900 N ASP A 55 0.838 10.749 3.484 1.00 0.00 N ATOM 901 CA ASP A 55 1.360 10.277 4.762 1.00 0.00 C ATOM 902 C ASP A 55 0.357 9.358 5.452 1.00 0.00 C ATOM 903 O ASP A 55 -0.686 9.028 4.889 1.00 0.00 O ATOM 904 CB ASP A 55 1.693 11.462 5.670 1.00 0.00 C ATOM 905 CG ASP A 55 0.837 12.678 5.372 1.00 0.00 C ATOM 906 OD1 ASP A 55 1.239 13.491 4.514 1.00 0.00 O ATOM 907 OD2 ASP A 55 -0.235 12.816 5.997 1.00 0.00 O ATOM 0 H ASP A 55 -0.176 10.854 3.456 1.00 0.00 H new ATOM 0 HA ASP A 55 2.271 9.711 4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.553 11.169 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.744 11.723 5.551 1.00 0.00 H new ATOM 912 N GLU A 56 0.682 8.947 6.674 1.00 0.00 N ATOM 913 CA GLU A 56 -0.190 8.063 7.439 1.00 0.00 C ATOM 914 C GLU A 56 -1.596 8.646 7.547 1.00 0.00 C ATOM 915 O GLU A 56 -2.582 7.912 7.611 1.00 0.00 O ATOM 916 CB GLU A 56 0.386 7.829 8.837 1.00 0.00 C ATOM 917 CG GLU A 56 0.160 8.990 9.791 1.00 0.00 C ATOM 918 CD GLU A 56 -1.140 8.868 10.562 1.00 0.00 C ATOM 919 OE1 GLU A 56 -1.555 7.725 10.847 1.00 0.00 O ATOM 920 OE2 GLU A 56 -1.742 9.914 10.880 1.00 0.00 O ATOM 0 H GLU A 56 1.542 9.212 7.155 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.250 7.110 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.062 6.930 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.457 7.642 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.991 9.044 10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.158 9.923 9.227 1.00 0.00 H new ATOM 927 N LYS A 57 -1.680 9.972 7.567 1.00 0.00 N ATOM 928 CA LYS A 57 -2.964 10.656 7.666 1.00 0.00 C ATOM 929 C LYS A 57 -3.915 10.191 6.568 1.00 0.00 C ATOM 930 O LYS A 57 -5.129 10.356 6.676 1.00 0.00 O ATOM 931 CB LYS A 57 -2.766 12.171 7.575 1.00 0.00 C ATOM 932 CG LYS A 57 -1.914 12.741 8.696 1.00 0.00 C ATOM 933 CD LYS A 57 -2.225 14.208 8.943 1.00 0.00 C ATOM 934 CE LYS A 57 -1.022 14.946 9.510 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.058 16.398 9.184 1.00 0.00 N ATOM 0 H LYS A 57 -0.874 10.595 7.516 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.405 10.410 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.302 12.412 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.741 12.658 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.086 12.173 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.859 12.629 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.534 14.678 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.063 14.292 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.994 14.817 10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.107 14.507 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.221 16.865 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.059 16.522 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.919 16.822 9.585 1.00 0.00 H new ATOM 949 N GLU A 58 -3.354 9.607 5.513 1.00 0.00 N ATOM 950 CA GLU A 58 -4.153 9.118 4.396 1.00 0.00 C ATOM 951 C GLU A 58 -5.412 9.962 4.217 1.00 0.00 C ATOM 952 O GLU A 58 -6.513 9.431 4.078 1.00 0.00 O ATOM 953 CB GLU A 58 -4.536 7.653 4.618 1.00 0.00 C ATOM 954 CG GLU A 58 -5.133 7.381 5.988 1.00 0.00 C ATOM 955 CD GLU A 58 -6.606 7.734 6.064 1.00 0.00 C ATOM 956 OE1 GLU A 58 -7.429 6.963 5.528 1.00 0.00 O ATOM 957 OE2 GLU A 58 -6.935 8.782 6.658 1.00 0.00 O ATOM 0 H GLU A 58 -2.350 9.461 5.409 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.552 9.197 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.252 7.354 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.651 7.031 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.003 6.327 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.587 7.953 6.738 1.00 0.00 H new ATOM 964 N GLU A 59 -5.239 11.280 4.222 1.00 0.00 N ATOM 965 CA GLU A 59 -6.360 12.198 4.061 1.00 0.00 C ATOM 966 C GLU A 59 -6.523 12.607 2.600 1.00 0.00 C ATOM 967 O GLU A 59 -6.868 13.749 2.298 1.00 0.00 O ATOM 968 CB GLU A 59 -6.160 13.441 4.931 1.00 0.00 C ATOM 969 CG GLU A 59 -6.515 13.225 6.392 1.00 0.00 C ATOM 970 CD GLU A 59 -6.737 14.526 7.137 1.00 0.00 C ATOM 971 OE1 GLU A 59 -7.718 15.232 6.819 1.00 0.00 O ATOM 972 OE2 GLU A 59 -5.931 14.840 8.038 1.00 0.00 O ATOM 0 H GLU A 59 -4.334 11.736 4.336 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.266 11.683 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.120 13.759 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.769 14.254 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.416 12.615 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.716 12.665 6.877 1.00 0.00 H new ATOM 979 N GLY A 60 -6.272 11.665 1.696 1.00 0.00 N ATOM 980 CA GLY A 60 -6.395 11.946 0.277 1.00 0.00 C ATOM 981 C GLY A 60 -5.494 11.068 -0.568 1.00 0.00 C ATOM 982 O GLY A 60 -4.271 11.215 -0.542 1.00 0.00 O ATOM 0 H GLY A 60 -5.986 10.712 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.431 11.801 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.152 12.993 0.095 1.00 0.00 H new ATOM 986 N ILE A 61 -6.097 10.153 -1.319 1.00 0.00 N ATOM 987 CA ILE A 61 -5.340 9.248 -2.175 1.00 0.00 C ATOM 988 C ILE A 61 -4.740 9.990 -3.365 1.00 0.00 C ATOM 989 O ILE A 61 -5.430 10.746 -4.050 1.00 0.00 O ATOM 990 CB ILE A 61 -6.220 8.096 -2.693 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.911 7.388 -1.526 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.384 7.111 -3.497 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.854 6.287 -1.960 1.00 0.00 C ATOM 0 H ILE A 61 -7.108 10.019 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.537 8.835 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.987 8.511 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.152 6.966 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.467 8.123 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.020 6.302 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.935 7.624 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.597 6.700 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.308 5.829 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.635 6.706 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.300 5.532 -2.517 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.453 9.767 -3.606 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.760 10.413 -4.715 1.00 0.00 C ATOM 1007 C LEU A 62 -2.877 9.582 -5.988 1.00 0.00 C ATOM 1008 O LEU A 62 -2.890 10.120 -7.094 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.286 10.627 -4.365 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.970 10.833 -2.883 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.513 11.103 -2.686 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.802 11.974 -2.315 1.00 0.00 C ATOM 0 H LEU A 62 -2.868 9.144 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.230 11.381 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.720 9.765 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.925 11.495 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.226 9.920 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.719 11.247 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.089 10.255 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.796 12.001 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.565 12.107 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.577 12.893 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.861 11.740 -2.422 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.964 8.265 -5.824 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.081 7.381 -6.968 1.00 0.00 C ATOM 1026 C GLY A 63 -3.304 5.937 -6.565 1.00 0.00 C ATOM 1027 O GLY A 63 -2.589 5.405 -5.715 1.00 0.00 O ATOM 0 H GLY A 63 -2.955 7.795 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.909 7.712 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.176 7.451 -7.571 1.00 0.00 H new ATOM 1031 N SER A 64 -4.299 5.300 -7.174 1.00 0.00 N ATOM 1032 CA SER A 64 -4.618 3.910 -6.869 1.00 0.00 C ATOM 1033 C SER A 64 -3.981 2.971 -7.889 1.00 0.00 C ATOM 1034 O SER A 64 -3.712 3.361 -9.025 1.00 0.00 O ATOM 1035 CB SER A 64 -6.134 3.705 -6.847 1.00 0.00 C ATOM 1036 OG SER A 64 -6.733 4.206 -8.030 1.00 0.00 O ATOM 0 H SER A 64 -4.898 5.724 -7.882 1.00 0.00 H new ATOM 0 HA SER A 64 -4.213 3.678 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.359 2.644 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.560 4.208 -5.979 1.00 0.00 H new ATOM 0 HG SER A 64 -7.487 4.786 -7.795 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.742 1.731 -7.473 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.138 0.736 -8.349 1.00 0.00 C ATOM 1044 C ILE A 65 -3.945 -0.558 -8.350 1.00 0.00 C ATOM 1045 O ILE A 65 -4.284 -1.092 -7.293 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.689 0.423 -7.932 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.767 1.589 -8.297 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.213 -0.862 -8.591 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.644 1.430 -7.774 1.00 0.00 C ATOM 0 H ILE A 65 -3.958 1.393 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.135 1.161 -9.353 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.660 0.285 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.735 1.690 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.190 2.513 -7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.187 -1.069 -8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.856 -1.687 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.254 -0.752 -9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.241 2.292 -8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.623 1.359 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.086 0.524 -8.188 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.247 -1.059 -9.543 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.013 -2.293 -9.682 1.00 0.00 C ATOM 1063 C LEU A 66 -4.094 -3.510 -9.667 1.00 0.00 C ATOM 1064 O LEU A 66 -3.289 -3.705 -10.580 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.825 -2.269 -10.979 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.236 -1.689 -10.876 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.108 -2.561 -9.986 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.190 -0.263 -10.348 1.00 0.00 C ATOM 0 H LEU A 66 -3.973 -0.630 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.695 -2.365 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.271 -1.694 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.899 -3.289 -11.357 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.674 -1.671 -11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.108 -2.132 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.168 -3.565 -10.407 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.673 -2.612 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.203 0.133 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.732 -0.256 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.602 0.357 -11.025 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.219 -4.327 -8.627 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.401 -5.527 -8.495 1.00 0.00 C ATOM 1082 C LEU A 67 -3.871 -6.616 -9.453 1.00 0.00 C ATOM 1083 O LEU A 67 -3.073 -7.310 -10.084 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.447 -6.043 -7.055 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.524 -5.340 -6.060 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.858 -5.757 -4.636 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.067 -5.642 -6.378 1.00 0.00 C ATOM 0 H LEU A 67 -4.879 -4.180 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.374 -5.266 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.471 -5.958 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.199 -7.104 -7.063 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.679 -4.265 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.191 -5.247 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.890 -5.489 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.733 -6.835 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.425 -5.133 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.897 -6.717 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.834 -5.292 -7.384 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.199 -6.770 -9.568 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.806 -7.771 -10.450 1.00 0.00 C ATOM 1101 C PRO A 68 -5.200 -7.755 -11.849 1.00 0.00 C ATOM 1102 O PRO A 68 -5.244 -8.754 -12.567 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.278 -7.353 -10.500 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.508 -6.622 -9.223 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.209 -5.978 -8.847 1.00 0.00 C ATOM 0 HA PRO A 68 -5.649 -8.786 -10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.480 -6.717 -11.362 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.933 -8.220 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.290 -5.872 -9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.840 -7.306 -8.442 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.182 -4.930 -9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.045 -6.008 -7.770 1.00 0.00 H new ATOM 1113 N SER A 69 -4.634 -6.614 -12.231 1.00 0.00 N ATOM 1114 CA SER A 69 -4.022 -6.468 -13.546 1.00 0.00 C ATOM 1115 C SER A 69 -2.522 -6.739 -13.481 1.00 0.00 C ATOM 1116 O SER A 69 -1.895 -7.072 -14.486 1.00 0.00 O ATOM 1117 CB SER A 69 -4.273 -5.062 -14.096 1.00 0.00 C ATOM 1118 OG SER A 69 -5.583 -4.949 -14.626 1.00 0.00 O ATOM 0 H SER A 69 -4.587 -5.778 -11.648 1.00 0.00 H new ATOM 0 HA SER A 69 -4.478 -7.199 -14.214 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.133 -4.327 -13.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.542 -4.836 -14.872 1.00 0.00 H new ATOM 0 HG SER A 69 -5.720 -4.041 -14.970 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.953 -6.594 -12.288 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.526 -6.822 -12.090 1.00 0.00 C ATOM 1126 C PHE A 70 -0.234 -8.307 -11.898 1.00 0.00 C ATOM 1127 O PHE A 70 -1.110 -9.076 -11.503 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.026 -6.032 -10.879 1.00 0.00 C ATOM 1129 CG PHE A 70 0.473 -4.658 -11.223 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.631 -4.494 -11.967 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.216 -3.531 -10.805 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.093 -3.230 -12.285 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.241 -2.265 -11.121 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.396 -2.115 -11.862 1.00 0.00 C ATOM 0 H PHE A 70 -2.458 -6.320 -11.445 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.001 -6.479 -12.982 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.835 -5.945 -10.153 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.776 -6.591 -10.397 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.178 -5.363 -12.302 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.121 -3.643 -10.226 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.998 -3.115 -12.863 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.305 -1.394 -10.789 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.754 -1.127 -12.111 1.00 0.00 H new ATOM 1144 N GLN A 71 1.003 -8.703 -12.182 1.00 0.00 N ATOM 1145 CA GLN A 71 1.410 -10.096 -12.042 1.00 0.00 C ATOM 1146 C GLN A 71 2.528 -10.236 -11.014 1.00 0.00 C ATOM 1147 O GLN A 71 3.666 -9.839 -11.263 1.00 0.00 O ATOM 1148 CB GLN A 71 1.869 -10.653 -13.391 1.00 0.00 C ATOM 1149 CG GLN A 71 2.891 -11.772 -13.271 1.00 0.00 C ATOM 1150 CD GLN A 71 3.053 -12.554 -14.560 1.00 0.00 C ATOM 1151 OE1 GLN A 71 4.019 -12.362 -15.299 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.106 -13.443 -14.836 1.00 0.00 N ATOM 0 H GLN A 71 1.740 -8.079 -12.510 1.00 0.00 H new ATOM 0 HA GLN A 71 0.549 -10.667 -11.695 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.001 -11.022 -13.937 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.297 -9.843 -13.982 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.854 -11.350 -12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.589 -12.451 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.323 -13.569 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.162 -13.999 -15.689 1.00 0.00 H new ATOM 1161 N ILE A 72 2.195 -10.802 -9.859 1.00 0.00 N ATOM 1162 CA ILE A 72 3.171 -10.995 -8.794 1.00 0.00 C ATOM 1163 C ILE A 72 4.034 -12.224 -9.055 1.00 0.00 C ATOM 1164 O ILE A 72 3.560 -13.357 -8.975 1.00 0.00 O ATOM 1165 CB ILE A 72 2.486 -11.144 -7.423 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.259 -10.234 -7.339 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.466 -10.826 -6.303 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.565 -8.780 -7.623 1.00 0.00 C ATOM 0 H ILE A 72 1.257 -11.135 -9.637 1.00 0.00 H new ATOM 0 HA ILE A 72 3.803 -10.107 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 72 2.157 -12.177 -7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.508 -10.584 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.822 -10.317 -6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.967 -10.936 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.311 -11.512 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.823 -9.802 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.649 -8.194 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.293 -8.413 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.974 -8.684 -8.629 1.00 0.00 H new ATOM 1180 N ALA A 73 5.305 -11.993 -9.367 1.00 0.00 N ATOM 1181 CA ALA A 73 6.236 -13.082 -9.636 1.00 0.00 C ATOM 1182 C ALA A 73 7.547 -12.882 -8.883 1.00 0.00 C ATOM 1183 O ALA A 73 8.090 -11.778 -8.843 1.00 0.00 O ATOM 1184 CB ALA A 73 6.497 -13.196 -11.131 1.00 0.00 C ATOM 0 H ALA A 73 5.714 -11.061 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 73 5.783 -14.009 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.194 -14.013 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.559 -13.393 -11.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.925 -12.263 -11.498 1.00 0.00 H new ATOM 1190 N LEU A 74 8.050 -13.957 -8.285 1.00 0.00 N ATOM 1191 CA LEU A 74 9.297 -13.900 -7.531 1.00 0.00 C ATOM 1192 C LEU A 74 10.412 -13.284 -8.370 1.00 0.00 C ATOM 1193 O LEU A 74 10.519 -13.544 -9.569 1.00 0.00 O ATOM 1194 CB LEU A 74 9.704 -15.301 -7.073 1.00 0.00 C ATOM 1195 CG LEU A 74 9.150 -15.752 -5.721 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.823 -14.992 -4.588 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.641 -15.561 -5.672 1.00 0.00 C ATOM 0 H LEU A 74 7.613 -14.878 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 74 9.135 -13.271 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.385 -16.016 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.792 -15.346 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 74 9.366 -16.813 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.416 -15.326 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.896 -15.180 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.639 -13.924 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.264 -15.887 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.403 -14.507 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.174 -16.151 -6.460 1.00 0.00 H new ATOM 1209 N LEU A 75 11.243 -12.466 -7.732 1.00 0.00 N ATOM 1210 CA LEU A 75 12.353 -11.814 -8.418 1.00 0.00 C ATOM 1211 C LEU A 75 13.214 -12.836 -9.154 1.00 0.00 C ATOM 1212 O LEU A 75 12.888 -14.022 -9.199 1.00 0.00 O ATOM 1213 CB LEU A 75 13.208 -11.033 -7.419 1.00 0.00 C ATOM 1214 CG LEU A 75 12.628 -9.704 -6.934 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.692 -8.888 -6.215 1.00 0.00 C ATOM 1216 CD2 LEU A 75 12.047 -8.918 -8.100 1.00 0.00 C ATOM 0 H LEU A 75 11.169 -12.239 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 75 11.939 -11.121 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.387 -11.667 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.178 -10.838 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 75 11.824 -9.916 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.261 -7.946 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.061 -9.448 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.518 -8.685 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.639 -7.975 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.831 -8.716 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.254 -9.499 -8.571 1.00 0.00 H new ATOM 1228 N THR A 76 14.319 -12.368 -9.727 1.00 0.00 N ATOM 1229 CA THR A 76 15.228 -13.240 -10.459 1.00 0.00 C ATOM 1230 C THR A 76 14.652 -13.619 -11.818 1.00 0.00 C ATOM 1231 O THR A 76 14.996 -14.658 -12.381 1.00 0.00 O ATOM 1232 CB THR A 76 15.533 -14.525 -9.667 1.00 0.00 C ATOM 1233 OG1 THR A 76 14.596 -15.550 -10.017 1.00 0.00 O ATOM 1234 CG2 THR A 76 15.472 -14.266 -8.169 1.00 0.00 C ATOM 0 H THR A 76 14.605 -11.389 -9.698 1.00 0.00 H new ATOM 0 HA THR A 76 16.153 -12.682 -10.603 1.00 0.00 H new ATOM 0 HB THR A 76 16.541 -14.851 -9.922 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.752 -15.398 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 76 15.691 -15.188 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.206 -13.507 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.475 -13.917 -7.900 1.00 0.00 H new ATOM 1242 N SER A 77 13.774 -12.769 -12.342 1.00 0.00 N ATOM 1243 CA SER A 77 13.147 -13.017 -13.635 1.00 0.00 C ATOM 1244 C SER A 77 13.152 -11.754 -14.491 1.00 0.00 C ATOM 1245 O SER A 77 12.109 -11.140 -14.714 1.00 0.00 O ATOM 1246 CB SER A 77 11.713 -13.512 -13.443 1.00 0.00 C ATOM 1247 OG SER A 77 11.315 -14.349 -14.515 1.00 0.00 O ATOM 0 H SER A 77 13.481 -11.903 -11.891 1.00 0.00 H new ATOM 0 HA SER A 77 13.723 -13.786 -14.150 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.636 -14.058 -12.503 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.037 -12.660 -13.372 1.00 0.00 H new ATOM 0 HG SER A 77 10.395 -14.654 -14.368 1.00 0.00 H new ATOM 1253 N GLU A 78 14.333 -11.375 -14.969 1.00 0.00 N ATOM 1254 CA GLU A 78 14.473 -10.185 -15.800 1.00 0.00 C ATOM 1255 C GLU A 78 14.176 -8.922 -14.997 1.00 0.00 C ATOM 1256 O GLU A 78 13.528 -7.998 -15.490 1.00 0.00 O ATOM 1257 CB GLU A 78 13.538 -10.267 -17.008 1.00 0.00 C ATOM 1258 CG GLU A 78 13.702 -11.541 -17.819 1.00 0.00 C ATOM 1259 CD GLU A 78 12.789 -11.584 -19.030 1.00 0.00 C ATOM 1260 OE1 GLU A 78 13.211 -11.114 -20.107 1.00 0.00 O ATOM 1261 OE2 GLU A 78 11.654 -12.086 -18.900 1.00 0.00 O ATOM 0 H GLU A 78 15.206 -11.874 -14.795 1.00 0.00 H new ATOM 0 HA GLU A 78 15.504 -10.137 -16.150 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.506 -10.196 -16.664 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.718 -9.409 -17.655 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.738 -11.628 -18.147 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.496 -12.401 -17.182 1.00 0.00 H new ATOM 1268 N ASP A 79 14.653 -8.890 -13.758 1.00 0.00 N ATOM 1269 CA ASP A 79 14.439 -7.741 -12.886 1.00 0.00 C ATOM 1270 C ASP A 79 15.650 -6.814 -12.900 1.00 0.00 C ATOM 1271 O ASP A 79 15.514 -5.594 -12.802 1.00 0.00 O ATOM 1272 CB ASP A 79 14.152 -8.204 -11.457 1.00 0.00 C ATOM 1273 CG ASP A 79 14.914 -9.464 -11.093 1.00 0.00 C ATOM 1274 OD1 ASP A 79 14.672 -10.508 -11.733 1.00 0.00 O ATOM 1275 OD2 ASP A 79 15.752 -9.405 -10.168 1.00 0.00 O ATOM 0 H ASP A 79 15.190 -9.646 -13.335 1.00 0.00 H new ATOM 0 HA ASP A 79 13.577 -7.188 -13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.417 -7.409 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.083 -8.384 -11.344 1.00 0.00 H new ATOM 1280 N HIS A 80 16.837 -7.402 -13.023 1.00 0.00 N ATOM 1281 CA HIS A 80 18.073 -6.629 -13.050 1.00 0.00 C ATOM 1282 C HIS A 80 18.275 -5.880 -11.736 1.00 0.00 C ATOM 1283 O HIS A 80 18.911 -4.826 -11.702 1.00 0.00 O ATOM 1284 CB HIS A 80 18.057 -5.640 -14.216 1.00 0.00 C ATOM 1285 CG HIS A 80 18.471 -6.247 -15.521 1.00 0.00 C ATOM 1286 ND1 HIS A 80 19.770 -6.617 -15.800 1.00 0.00 N ATOM 1287 CD2 HIS A 80 17.750 -6.550 -16.626 1.00 0.00 C ATOM 1288 CE1 HIS A 80 19.830 -7.119 -17.021 1.00 0.00 C ATOM 1289 NE2 HIS A 80 18.617 -7.090 -17.543 1.00 0.00 N ATOM 0 H HIS A 80 16.968 -8.410 -13.105 1.00 0.00 H new ATOM 0 HA HIS A 80 18.903 -7.323 -13.184 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.053 -5.228 -14.318 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.721 -4.807 -13.985 1.00 0.00 H new ATOM 0 HD2 HIS A 80 16.690 -6.396 -16.761 1.00 0.00 H new ATOM 0 HE1 HIS A 80 20.719 -7.490 -17.509 1.00 0.00 H new ATOM 0 HE2 HIS A 80 18.365 -7.416 -18.476 1.00 0.00 H new ATOM 1298 N ILE A 81 17.728 -6.430 -10.657 1.00 0.00 N ATOM 1299 CA ILE A 81 17.848 -5.814 -9.341 1.00 0.00 C ATOM 1300 C ILE A 81 18.731 -6.651 -8.421 1.00 0.00 C ATOM 1301 O ILE A 81 18.717 -7.879 -8.478 1.00 0.00 O ATOM 1302 CB ILE A 81 16.470 -5.626 -8.680 1.00 0.00 C ATOM 1303 CG1 ILE A 81 15.581 -4.735 -9.549 1.00 0.00 C ATOM 1304 CG2 ILE A 81 16.628 -5.031 -7.288 1.00 0.00 C ATOM 1305 CD1 ILE A 81 14.145 -4.672 -9.078 1.00 0.00 C ATOM 0 H ILE A 81 17.197 -7.301 -10.668 1.00 0.00 H new ATOM 0 HA ILE A 81 18.307 -4.836 -9.490 1.00 0.00 H new ATOM 0 HB ILE A 81 15.992 -6.601 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 81 15.995 -3.727 -9.564 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.603 -5.104 -10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.646 -4.904 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.229 -5.700 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.123 -4.062 -7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.573 -4.023 -9.741 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.714 -5.673 -9.090 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.112 -4.275 -8.063 1.00 0.00 H new ATOM 1317 N ASN A 82 19.499 -5.975 -7.572 1.00 0.00 N ATOM 1318 CA ASN A 82 20.388 -6.656 -6.638 1.00 0.00 C ATOM 1319 C ASN A 82 19.815 -6.631 -5.225 1.00 0.00 C ATOM 1320 O ASN A 82 20.526 -6.347 -4.260 1.00 0.00 O ATOM 1321 CB ASN A 82 21.772 -6.002 -6.651 1.00 0.00 C ATOM 1322 CG ASN A 82 22.499 -6.214 -7.965 1.00 0.00 C ATOM 1323 OD1 ASN A 82 22.253 -5.508 -8.944 1.00 0.00 O ATOM 1324 ND2 ASN A 82 23.400 -7.189 -7.993 1.00 0.00 N ATOM 0 H ASN A 82 19.523 -4.957 -7.512 1.00 0.00 H new ATOM 0 HA ASN A 82 20.481 -7.695 -6.955 1.00 0.00 H new ATOM 0 HB2 ASN A 82 21.668 -4.933 -6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 82 22.371 -6.410 -5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 82 23.921 -7.378 -8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 82 23.571 -7.749 -7.158 1.00 0.00 H new ATOM 1331 N ARG A 83 18.525 -6.930 -5.110 1.00 0.00 N ATOM 1332 CA ARG A 83 17.856 -6.941 -3.815 1.00 0.00 C ATOM 1333 C ARG A 83 17.242 -8.309 -3.532 1.00 0.00 C ATOM 1334 O ARG A 83 16.951 -9.074 -4.452 1.00 0.00 O ATOM 1335 CB ARG A 83 16.771 -5.864 -3.768 1.00 0.00 C ATOM 1336 CG ARG A 83 17.274 -4.512 -3.288 1.00 0.00 C ATOM 1337 CD ARG A 83 18.340 -3.953 -4.218 1.00 0.00 C ATOM 1338 NE ARG A 83 18.653 -2.559 -3.916 1.00 0.00 N ATOM 1339 CZ ARG A 83 19.172 -1.714 -4.800 1.00 0.00 C ATOM 1340 NH1 ARG A 83 19.434 -2.120 -6.034 1.00 0.00 N ATOM 1341 NH2 ARG A 83 19.428 -0.460 -4.450 1.00 0.00 N ATOM 0 H ARG A 83 17.923 -7.168 -5.898 1.00 0.00 H new ATOM 0 HA ARG A 83 18.601 -6.730 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.341 -5.750 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.968 -6.198 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.440 -3.813 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.682 -4.610 -2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 83 19.245 -4.554 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.999 -4.033 -5.250 1.00 0.00 H new ATOM 0 HE ARG A 83 18.463 -2.215 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 83 19.237 -3.083 -6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.832 -1.470 -6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.226 -0.144 -3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.827 0.188 -5.130 1.00 0.00 H new ATOM 1355 N LYS A 84 17.048 -8.611 -2.253 1.00 0.00 N ATOM 1356 CA LYS A 84 16.468 -9.886 -1.847 1.00 0.00 C ATOM 1357 C LYS A 84 15.211 -9.671 -1.010 1.00 0.00 C ATOM 1358 O LYS A 84 14.898 -8.545 -0.621 1.00 0.00 O ATOM 1359 CB LYS A 84 17.489 -10.705 -1.053 1.00 0.00 C ATOM 1360 CG LYS A 84 18.347 -11.611 -1.918 1.00 0.00 C ATOM 1361 CD LYS A 84 18.881 -12.794 -1.128 1.00 0.00 C ATOM 1362 CE LYS A 84 17.931 -13.980 -1.187 1.00 0.00 C ATOM 1363 NZ LYS A 84 18.639 -15.270 -0.961 1.00 0.00 N ATOM 0 H LYS A 84 17.284 -7.990 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 84 16.193 -10.434 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 84 18.137 -10.025 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.962 -11.312 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.760 -11.972 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.180 -11.041 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.854 -13.086 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.033 -12.500 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.151 -13.858 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.438 -14.002 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.957 -16.053 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.367 -15.399 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.089 -15.260 -0.023 1.00 0.00 H new ATOM 1377 N TYR A 85 14.496 -10.756 -0.734 1.00 0.00 N ATOM 1378 CA TYR A 85 13.273 -10.685 0.057 1.00 0.00 C ATOM 1379 C TYR A 85 12.294 -9.680 -0.543 1.00 0.00 C ATOM 1380 O TYR A 85 11.541 -9.025 0.176 1.00 0.00 O ATOM 1381 CB TYR A 85 13.597 -10.298 1.501 1.00 0.00 C ATOM 1382 CG TYR A 85 14.148 -11.440 2.325 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.127 -12.282 1.813 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.688 -11.678 3.614 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.633 -13.327 2.561 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.189 -12.719 4.370 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.162 -13.541 3.840 1.00 0.00 C ATOM 1388 OH TYR A 85 15.662 -14.581 4.589 1.00 0.00 O ATOM 0 H TYR A 85 14.742 -11.695 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 85 12.806 -11.670 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.320 -9.483 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.693 -9.920 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.499 -12.117 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.925 -11.038 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.393 -13.973 2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.821 -12.889 5.371 1.00 0.00 H new ATOM 0 HH TYR A 85 15.225 -14.592 5.466 1.00 0.00 H new ATOM 1398 N ALA A 86 12.311 -9.567 -1.867 1.00 0.00 N ATOM 1399 CA ALA A 86 11.423 -8.645 -2.566 1.00 0.00 C ATOM 1400 C ALA A 86 10.765 -9.320 -3.765 1.00 0.00 C ATOM 1401 O ALA A 86 11.074 -10.466 -4.092 1.00 0.00 O ATOM 1402 CB ALA A 86 12.190 -7.408 -3.009 1.00 0.00 C ATOM 0 H ALA A 86 12.929 -10.102 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 86 10.636 -8.343 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.515 -6.728 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.608 -6.907 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.998 -7.701 -3.680 1.00 0.00 H new ATOM 1408 N PHE A 87 9.856 -8.602 -4.416 1.00 0.00 N ATOM 1409 CA PHE A 87 9.153 -9.132 -5.578 1.00 0.00 C ATOM 1410 C PHE A 87 8.985 -8.058 -6.650 1.00 0.00 C ATOM 1411 O PHE A 87 9.481 -6.940 -6.507 1.00 0.00 O ATOM 1412 CB PHE A 87 7.783 -9.676 -5.167 1.00 0.00 C ATOM 1413 CG PHE A 87 7.111 -8.864 -4.097 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.586 -8.881 -2.796 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.006 -8.083 -4.393 1.00 0.00 C ATOM 1416 CE1 PHE A 87 6.971 -8.135 -1.809 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.387 -7.334 -3.410 1.00 0.00 C ATOM 1418 CZ PHE A 87 5.869 -7.361 -2.116 1.00 0.00 C ATOM 0 H PHE A 87 9.589 -7.652 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 87 9.750 -9.944 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.137 -9.711 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.899 -10.701 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.447 -9.485 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.624 -8.059 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.352 -8.157 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.527 -6.728 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.385 -6.778 -1.346 1.00 0.00 H new ATOM 1428 N LYS A 88 8.283 -8.406 -7.723 1.00 0.00 N ATOM 1429 CA LYS A 88 8.049 -7.474 -8.819 1.00 0.00 C ATOM 1430 C LYS A 88 6.727 -7.778 -9.518 1.00 0.00 C ATOM 1431 O LYS A 88 6.377 -8.939 -9.726 1.00 0.00 O ATOM 1432 CB LYS A 88 9.198 -7.541 -9.827 1.00 0.00 C ATOM 1433 CG LYS A 88 9.128 -8.744 -10.751 1.00 0.00 C ATOM 1434 CD LYS A 88 10.028 -8.570 -11.963 1.00 0.00 C ATOM 1435 CE LYS A 88 10.414 -9.910 -12.569 1.00 0.00 C ATOM 1436 NZ LYS A 88 11.610 -10.496 -11.903 1.00 0.00 N ATOM 0 H LYS A 88 7.866 -9.327 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 88 7.997 -6.468 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.196 -6.632 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.144 -7.564 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.421 -9.641 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.099 -8.892 -11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.518 -7.964 -12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.928 -8.028 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.576 -10.602 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.616 -9.783 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.464 -11.516 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.448 -10.346 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.754 -10.036 -10.981 1.00 0.00 H new ATOM 1450 N ALA A 89 5.999 -6.727 -9.880 1.00 0.00 N ATOM 1451 CA ALA A 89 4.718 -6.882 -10.559 1.00 0.00 C ATOM 1452 C ALA A 89 4.817 -6.458 -12.020 1.00 0.00 C ATOM 1453 O ALA A 89 5.230 -5.339 -12.325 1.00 0.00 O ATOM 1454 CB ALA A 89 3.642 -6.078 -9.845 1.00 0.00 C ATOM 0 H ALA A 89 6.274 -5.759 -9.715 1.00 0.00 H new ATOM 0 HA ALA A 89 4.445 -7.937 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.691 -6.203 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.545 -6.431 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.918 -5.023 -9.842 1.00 0.00 H new ATOM 1460 N ALA A 90 4.435 -7.358 -12.920 1.00 0.00 N ATOM 1461 CA ALA A 90 4.479 -7.076 -14.349 1.00 0.00 C ATOM 1462 C ALA A 90 3.107 -6.661 -14.870 1.00 0.00 C ATOM 1463 O ALA A 90 2.096 -7.289 -14.554 1.00 0.00 O ATOM 1464 CB ALA A 90 4.989 -8.290 -15.111 1.00 0.00 C ATOM 0 H ALA A 90 4.091 -8.289 -12.684 1.00 0.00 H new ATOM 0 HA ALA A 90 5.166 -6.245 -14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.017 -8.065 -16.177 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.992 -8.540 -14.767 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.324 -9.135 -14.936 1.00 0.00 H new ATOM 1470 N HIS A 91 3.079 -5.598 -15.668 1.00 0.00 N ATOM 1471 CA HIS A 91 1.830 -5.099 -16.232 1.00 0.00 C ATOM 1472 C HIS A 91 1.947 -4.926 -17.744 1.00 0.00 C ATOM 1473 O HIS A 91 2.968 -4.474 -18.264 1.00 0.00 O ATOM 1474 CB HIS A 91 1.447 -3.769 -15.583 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.007 -3.435 -15.712 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.551 -2.870 -16.846 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.032 -3.591 -14.842 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -1.848 -2.692 -16.668 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.165 -3.121 -15.460 1.00 0.00 N ATOM 0 H HIS A 91 3.906 -5.066 -15.938 1.00 0.00 H new ATOM 0 HA HIS A 91 1.050 -5.832 -16.027 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.711 -3.801 -14.526 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.036 -2.971 -16.035 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.970 -4.007 -13.847 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.532 -2.268 -17.388 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.100 -3.106 -15.052 1.00 0.00 H new ATOM 1488 N PRO A 92 0.879 -5.293 -18.467 1.00 0.00 N ATOM 1489 CA PRO A 92 0.838 -5.187 -19.929 1.00 0.00 C ATOM 1490 C PRO A 92 0.723 -3.743 -20.402 1.00 0.00 C ATOM 1491 O PRO A 92 1.464 -3.307 -21.281 1.00 0.00 O ATOM 1492 CB PRO A 92 -0.418 -5.976 -20.306 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.299 -5.883 -19.108 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.372 -5.839 -17.914 1.00 0.00 C ATOM 0 HA PRO A 92 1.750 -5.565 -20.391 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.902 -5.553 -21.187 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.178 -7.013 -20.541 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.923 -4.991 -19.151 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.971 -6.740 -19.050 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.770 -5.206 -17.121 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.222 -6.830 -17.486 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.212 -3.004 -19.813 1.00 0.00 N ATOM 1503 CA ASN A 93 -0.425 -1.608 -20.175 1.00 0.00 C ATOM 1504 C ASN A 93 0.330 -0.679 -19.229 1.00 0.00 C ATOM 1505 O ASN A 93 -0.032 0.486 -19.066 1.00 0.00 O ATOM 1506 CB ASN A 93 -1.918 -1.274 -20.152 1.00 0.00 C ATOM 1507 CG ASN A 93 -2.606 -1.609 -21.461 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.140 -1.227 -22.535 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.720 -2.326 -21.377 1.00 0.00 N ATOM 0 H ASN A 93 -0.834 -3.349 -19.082 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.042 -1.459 -21.185 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.398 -1.823 -19.342 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.047 -0.213 -19.938 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.227 -2.582 -22.224 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.069 -2.621 -20.465 1.00 0.00 H new ATOM 1516 N MET A 94 1.381 -1.204 -18.607 1.00 0.00 N ATOM 1517 CA MET A 94 2.188 -0.422 -17.678 1.00 0.00 C ATOM 1518 C MET A 94 3.587 -1.014 -17.541 1.00 0.00 C ATOM 1519 O MET A 94 3.935 -1.974 -18.230 1.00 0.00 O ATOM 1520 CB MET A 94 1.511 -0.360 -16.308 1.00 0.00 C ATOM 1521 CG MET A 94 0.570 0.822 -16.148 1.00 0.00 C ATOM 1522 SD MET A 94 0.104 1.112 -14.430 1.00 0.00 S ATOM 1523 CE MET A 94 -0.731 -0.423 -14.042 1.00 0.00 C ATOM 0 H MET A 94 1.693 -2.167 -18.730 1.00 0.00 H new ATOM 0 HA MET A 94 2.278 0.589 -18.076 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.953 -1.282 -16.145 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.278 -0.311 -15.535 1.00 0.00 H new ATOM 0 HG2 MET A 94 1.047 1.717 -16.547 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.329 0.649 -16.740 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.201 -0.344 -13.062 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.493 -0.623 -14.795 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.008 -1.238 -14.033 1.00 0.00 H new ATOM 1533 N ARG A 95 4.385 -0.436 -16.649 1.00 0.00 N ATOM 1534 CA ARG A 95 5.746 -0.907 -16.423 1.00 0.00 C ATOM 1535 C ARG A 95 5.784 -1.949 -15.309 1.00 0.00 C ATOM 1536 O ARG A 95 4.749 -2.314 -14.750 1.00 0.00 O ATOM 1537 CB ARG A 95 6.662 0.266 -16.070 1.00 0.00 C ATOM 1538 CG ARG A 95 6.319 0.929 -14.746 1.00 0.00 C ATOM 1539 CD ARG A 95 7.447 1.828 -14.264 1.00 0.00 C ATOM 1540 NE ARG A 95 7.502 1.904 -12.807 1.00 0.00 N ATOM 1541 CZ ARG A 95 8.036 2.924 -12.144 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.559 3.948 -12.804 1.00 0.00 N ATOM 1543 NH2 ARG A 95 8.049 2.920 -10.817 1.00 0.00 N ATOM 0 H ARG A 95 4.112 0.359 -16.071 1.00 0.00 H new ATOM 0 HA ARG A 95 6.100 -1.372 -17.343 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.693 -0.087 -16.034 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.608 1.010 -16.864 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.407 1.516 -14.857 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.117 0.164 -13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.397 1.452 -14.643 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.313 2.829 -14.674 1.00 0.00 H new ATOM 0 HE ARG A 95 7.109 1.132 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.552 3.954 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.968 4.729 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.649 2.133 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.459 3.703 -10.309 1.00 0.00 H new ATOM 1557 N THR A 96 6.984 -2.426 -14.992 1.00 0.00 N ATOM 1558 CA THR A 96 7.156 -3.427 -13.947 1.00 0.00 C ATOM 1559 C THR A 96 7.425 -2.771 -12.597 1.00 0.00 C ATOM 1560 O THR A 96 8.426 -2.077 -12.421 1.00 0.00 O ATOM 1561 CB THR A 96 8.312 -4.390 -14.276 1.00 0.00 C ATOM 1562 OG1 THR A 96 8.071 -5.033 -15.532 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.471 -5.438 -13.186 1.00 0.00 C ATOM 0 H THR A 96 7.851 -2.135 -15.444 1.00 0.00 H new ATOM 0 HA THR A 96 6.226 -3.993 -13.895 1.00 0.00 H new ATOM 0 HB THR A 96 9.233 -3.810 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.811 -5.642 -15.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.293 -6.106 -13.441 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.684 -4.946 -12.237 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.550 -6.014 -13.098 1.00 0.00 H new ATOM 1571 N TYR A 97 6.526 -2.997 -11.646 1.00 0.00 N ATOM 1572 CA TYR A 97 6.665 -2.426 -10.311 1.00 0.00 C ATOM 1573 C TYR A 97 7.494 -3.339 -9.412 1.00 0.00 C ATOM 1574 O TYR A 97 7.593 -4.542 -9.652 1.00 0.00 O ATOM 1575 CB TYR A 97 5.289 -2.191 -9.687 1.00 0.00 C ATOM 1576 CG TYR A 97 4.587 -0.960 -10.214 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.469 -0.735 -11.580 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.042 -0.022 -9.346 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.829 0.390 -12.066 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.400 1.105 -9.823 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.296 1.306 -11.183 1.00 0.00 C ATOM 1582 OH TYR A 97 2.658 2.426 -11.663 1.00 0.00 O ATOM 0 H TYR A 97 5.693 -3.572 -11.774 1.00 0.00 H new ATOM 0 HA TYR A 97 7.181 -1.471 -10.405 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.662 -3.063 -9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.400 -2.101 -8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.884 -1.451 -12.274 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.121 -0.176 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.747 0.551 -13.131 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.982 1.824 -9.134 1.00 0.00 H new ATOM 0 HH TYR A 97 2.339 2.968 -10.911 1.00 0.00 H new ATOM 1592 N TYR A 98 8.088 -2.757 -8.376 1.00 0.00 N ATOM 1593 CA TYR A 98 8.911 -3.516 -7.442 1.00 0.00 C ATOM 1594 C TYR A 98 8.549 -3.177 -5.999 1.00 0.00 C ATOM 1595 O TYR A 98 8.212 -2.036 -5.682 1.00 0.00 O ATOM 1596 CB TYR A 98 10.393 -3.232 -7.687 1.00 0.00 C ATOM 1597 CG TYR A 98 10.918 -3.826 -8.975 1.00 0.00 C ATOM 1598 CD1 TYR A 98 11.205 -5.181 -9.072 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.127 -3.030 -10.095 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.685 -5.728 -10.247 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.605 -3.568 -11.274 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.884 -4.917 -11.345 1.00 0.00 C ATOM 1603 OH TYR A 98 12.361 -5.458 -12.517 1.00 0.00 O ATOM 0 H TYR A 98 8.015 -1.762 -8.162 1.00 0.00 H new ATOM 0 HA TYR A 98 8.719 -4.576 -7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.550 -2.153 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.973 -3.626 -6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.050 -5.819 -8.214 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.912 -1.973 -10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.903 -6.784 -10.305 1.00 0.00 H new ATOM 0 HE2 TYR A 98 11.759 -2.936 -12.136 1.00 0.00 H new ATOM 0 HH TYR A 98 12.444 -4.753 -13.193 1.00 0.00 H new ATOM 1613 N PHE A 99 8.622 -4.178 -5.127 1.00 0.00 N ATOM 1614 CA PHE A 99 8.302 -3.988 -3.717 1.00 0.00 C ATOM 1615 C PHE A 99 9.186 -4.866 -2.836 1.00 0.00 C ATOM 1616 O PHE A 99 9.339 -6.062 -3.087 1.00 0.00 O ATOM 1617 CB PHE A 99 6.828 -4.308 -3.459 1.00 0.00 C ATOM 1618 CG PHE A 99 5.902 -3.753 -4.504 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.536 -2.417 -4.484 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.398 -4.567 -5.505 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.684 -1.903 -5.444 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.547 -4.059 -6.467 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.189 -2.725 -6.436 1.00 0.00 C ATOM 0 H PHE A 99 8.900 -5.128 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 99 8.490 -2.944 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.702 -5.390 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.543 -3.911 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.921 -1.770 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.674 -5.611 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.406 -0.860 -5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.162 -4.704 -7.243 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.523 -2.326 -7.187 1.00 0.00 H new ATOM 1633 N CYS A 100 9.766 -4.263 -1.804 1.00 0.00 N ATOM 1634 CA CYS A 100 10.637 -4.988 -0.886 1.00 0.00 C ATOM 1635 C CYS A 100 10.279 -4.676 0.564 1.00 0.00 C ATOM 1636 O CYS A 100 9.600 -3.688 0.849 1.00 0.00 O ATOM 1637 CB CYS A 100 12.101 -4.633 -1.150 1.00 0.00 C ATOM 1638 SG CYS A 100 12.591 -3.009 -0.525 1.00 0.00 S ATOM 0 H CYS A 100 9.649 -3.274 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 100 10.494 -6.055 -1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.736 -5.393 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.284 -4.667 -2.224 1.00 0.00 H new ATOM 0 HG CYS A 100 12.596 -2.151 -1.502 1.00 0.00 H new ATOM 1644 N THR A 101 10.739 -5.525 1.478 1.00 0.00 N ATOM 1645 CA THR A 101 10.465 -5.342 2.898 1.00 0.00 C ATOM 1646 C THR A 101 11.735 -5.494 3.726 1.00 0.00 C ATOM 1647 O THR A 101 12.797 -5.823 3.197 1.00 0.00 O ATOM 1648 CB THR A 101 9.413 -6.347 3.401 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.800 -7.680 3.048 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.044 -6.038 2.813 1.00 0.00 C ATOM 0 H THR A 101 11.303 -6.346 1.260 1.00 0.00 H new ATOM 0 HA THR A 101 10.076 -4.331 3.018 1.00 0.00 H new ATOM 0 HB THR A 101 9.352 -6.262 4.486 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.971 -8.197 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.317 -6.761 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.739 -5.034 3.109 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.093 -6.097 1.726 1.00 0.00 H new ATOM 1658 N ASP A 102 11.619 -5.256 5.028 1.00 0.00 N ATOM 1659 CA ASP A 102 12.758 -5.369 5.931 1.00 0.00 C ATOM 1660 C ASP A 102 13.087 -6.832 6.210 1.00 0.00 C ATOM 1661 O ASP A 102 14.253 -7.229 6.213 1.00 0.00 O ATOM 1662 CB ASP A 102 12.471 -4.638 7.243 1.00 0.00 C ATOM 1663 CG ASP A 102 12.448 -3.132 7.075 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.315 -2.603 6.346 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.564 -2.481 7.670 1.00 0.00 O ATOM 0 H ASP A 102 10.747 -4.983 5.482 1.00 0.00 H new ATOM 0 HA ASP A 102 13.620 -4.907 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.511 -4.971 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.229 -4.907 7.978 1.00 0.00 H new ATOM 1670 N THR A 103 12.051 -7.631 6.447 1.00 0.00 N ATOM 1671 CA THR A 103 12.230 -9.050 6.730 1.00 0.00 C ATOM 1672 C THR A 103 11.277 -9.900 5.898 1.00 0.00 C ATOM 1673 O THR A 103 10.349 -9.384 5.277 1.00 0.00 O ATOM 1674 CB THR A 103 12.004 -9.358 8.222 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.674 -8.988 8.603 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.010 -8.613 9.086 1.00 0.00 C ATOM 0 H THR A 103 11.080 -7.320 6.449 1.00 0.00 H new ATOM 0 HA THR A 103 13.258 -9.298 6.467 1.00 0.00 H new ATOM 0 HB THR A 103 12.140 -10.429 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.538 -9.189 9.553 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.831 -8.846 10.136 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.020 -8.918 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 103 12.901 -7.540 8.929 1.00 0.00 H new ATOM 1684 N GLY A 104 11.513 -11.209 5.890 1.00 0.00 N ATOM 1685 CA GLY A 104 10.666 -12.111 5.130 1.00 0.00 C ATOM 1686 C GLY A 104 9.201 -11.978 5.498 1.00 0.00 C ATOM 1687 O GLY A 104 8.326 -12.074 4.637 1.00 0.00 O ATOM 0 H GLY A 104 12.275 -11.661 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.790 -11.911 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.989 -13.138 5.301 1.00 0.00 H new ATOM 1691 N LYS A 105 8.932 -11.757 6.780 1.00 0.00 N ATOM 1692 CA LYS A 105 7.564 -11.611 7.261 1.00 0.00 C ATOM 1693 C LYS A 105 6.857 -10.461 6.550 1.00 0.00 C ATOM 1694 O LYS A 105 5.845 -10.663 5.879 1.00 0.00 O ATOM 1695 CB LYS A 105 7.555 -11.373 8.772 1.00 0.00 C ATOM 1696 CG LYS A 105 6.167 -11.138 9.343 1.00 0.00 C ATOM 1697 CD LYS A 105 5.330 -12.406 9.314 1.00 0.00 C ATOM 1698 CE LYS A 105 4.075 -12.265 10.161 1.00 0.00 C ATOM 1699 NZ LYS A 105 3.474 -13.588 10.487 1.00 0.00 N ATOM 0 H LYS A 105 9.644 -11.675 7.505 1.00 0.00 H new ATOM 0 HA LYS A 105 7.028 -12.535 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.002 -12.234 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.183 -10.511 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.251 -10.780 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.665 -10.357 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.052 -12.636 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.924 -13.244 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.317 -11.739 11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.344 -11.655 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.621 -13.449 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.219 -14.080 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.162 -14.161 11.017 1.00 0.00 H new ATOM 1713 N GLU A 106 7.398 -9.256 6.702 1.00 0.00 N ATOM 1714 CA GLU A 106 6.818 -8.075 6.074 1.00 0.00 C ATOM 1715 C GLU A 106 6.524 -8.332 4.599 1.00 0.00 C ATOM 1716 O GLU A 106 5.695 -7.654 3.993 1.00 0.00 O ATOM 1717 CB GLU A 106 7.762 -6.879 6.216 1.00 0.00 C ATOM 1718 CG GLU A 106 7.594 -6.123 7.523 1.00 0.00 C ATOM 1719 CD GLU A 106 7.928 -4.650 7.392 1.00 0.00 C ATOM 1720 OE1 GLU A 106 8.969 -4.329 6.781 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.148 -3.817 7.900 1.00 0.00 O ATOM 0 H GLU A 106 8.236 -9.072 7.254 1.00 0.00 H new ATOM 0 HA GLU A 106 5.879 -7.850 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.792 -7.228 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.594 -6.194 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.566 -6.229 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.235 -6.571 8.282 1.00 0.00 H new ATOM 1728 N MET A 107 7.211 -9.316 4.027 1.00 0.00 N ATOM 1729 CA MET A 107 7.023 -9.664 2.624 1.00 0.00 C ATOM 1730 C MET A 107 5.863 -10.640 2.456 1.00 0.00 C ATOM 1731 O MET A 107 4.994 -10.444 1.606 1.00 0.00 O ATOM 1732 CB MET A 107 8.305 -10.273 2.051 1.00 0.00 C ATOM 1733 CG MET A 107 8.101 -10.978 0.720 1.00 0.00 C ATOM 1734 SD MET A 107 9.585 -10.971 -0.304 1.00 0.00 S ATOM 1735 CE MET A 107 9.131 -12.159 -1.565 1.00 0.00 C ATOM 0 H MET A 107 7.903 -9.886 4.514 1.00 0.00 H new ATOM 0 HA MET A 107 6.788 -8.751 2.078 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.047 -9.485 1.925 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.713 -10.983 2.770 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.795 -12.008 0.902 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.288 -10.495 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.030 -12.519 -2.066 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.611 -12.999 -1.104 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.475 -11.683 -2.294 1.00 0.00 H new ATOM 1745 N GLU A 108 5.857 -11.691 3.270 1.00 0.00 N ATOM 1746 CA GLU A 108 4.803 -12.697 3.209 1.00 0.00 C ATOM 1747 C GLU A 108 3.434 -12.066 3.443 1.00 0.00 C ATOM 1748 O GLU A 108 2.429 -12.510 2.885 1.00 0.00 O ATOM 1749 CB GLU A 108 5.055 -13.794 4.245 1.00 0.00 C ATOM 1750 CG GLU A 108 4.466 -13.488 5.612 1.00 0.00 C ATOM 1751 CD GLU A 108 4.491 -14.686 6.540 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.506 -14.871 7.243 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.495 -15.439 6.564 1.00 0.00 O ATOM 0 H GLU A 108 6.569 -11.868 3.979 1.00 0.00 H new ATOM 0 HA GLU A 108 4.814 -13.138 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.635 -14.731 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.130 -13.945 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.022 -12.669 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.437 -13.148 5.492 1.00 0.00 H new ATOM 1760 N LEU A 109 3.401 -11.028 4.272 1.00 0.00 N ATOM 1761 CA LEU A 109 2.155 -10.335 4.581 1.00 0.00 C ATOM 1762 C LEU A 109 1.646 -9.563 3.368 1.00 0.00 C ATOM 1763 O LEU A 109 0.445 -9.532 3.100 1.00 0.00 O ATOM 1764 CB LEU A 109 2.359 -9.380 5.759 1.00 0.00 C ATOM 1765 CG LEU A 109 2.856 -10.014 7.059 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.007 -8.958 8.143 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.907 -11.114 7.512 1.00 0.00 C ATOM 0 H LEU A 109 4.223 -10.648 4.742 1.00 0.00 H new ATOM 0 HA LEU A 109 1.409 -11.082 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.070 -8.611 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.413 -8.878 5.962 1.00 0.00 H new ATOM 0 HG LEU A 109 3.834 -10.459 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.361 -9.427 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.725 -8.205 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.043 -8.484 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.276 -11.554 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.916 -10.693 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.849 -11.884 6.743 1.00 0.00 H new ATOM 1779 N TRP A 110 2.566 -8.944 2.638 1.00 0.00 N ATOM 1780 CA TRP A 110 2.210 -8.174 1.452 1.00 0.00 C ATOM 1781 C TRP A 110 1.859 -9.096 0.289 1.00 0.00 C ATOM 1782 O TRP A 110 0.874 -8.876 -0.413 1.00 0.00 O ATOM 1783 CB TRP A 110 3.361 -7.248 1.055 1.00 0.00 C ATOM 1784 CG TRP A 110 3.286 -5.897 1.700 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.220 -5.326 2.516 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.219 -4.950 1.583 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.797 -4.080 2.914 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.573 -3.826 2.354 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.999 -4.941 0.900 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.750 -2.708 2.461 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.184 -3.831 1.008 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.562 -2.726 1.783 1.00 0.00 C ATOM 0 H TRP A 110 3.564 -8.960 2.846 1.00 0.00 H new ATOM 0 HA TRP A 110 1.334 -7.571 1.691 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.306 -7.719 1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.363 -7.126 -0.028 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.153 -5.785 2.806 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.311 -3.447 3.527 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.699 -5.787 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.039 -1.856 3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.761 -3.814 0.486 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.097 -1.873 1.846 1.00 0.00 H new ATOM 1803 N MET A 111 2.672 -10.129 0.093 1.00 0.00 N ATOM 1804 CA MET A 111 2.446 -11.086 -0.984 1.00 0.00 C ATOM 1805 C MET A 111 1.101 -11.785 -0.816 1.00 0.00 C ATOM 1806 O MET A 111 0.194 -11.615 -1.632 1.00 0.00 O ATOM 1807 CB MET A 111 3.571 -12.121 -1.021 1.00 0.00 C ATOM 1808 CG MET A 111 4.838 -11.618 -1.695 1.00 0.00 C ATOM 1809 SD MET A 111 5.797 -12.945 -2.450 1.00 0.00 S ATOM 1810 CE MET A 111 5.630 -12.537 -4.186 1.00 0.00 C ATOM 0 H MET A 111 3.493 -10.325 0.666 1.00 0.00 H new ATOM 0 HA MET A 111 2.436 -10.538 -1.926 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.808 -12.425 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.219 -13.010 -1.545 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.573 -10.887 -2.459 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.455 -11.102 -0.960 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.585 -12.689 -4.689 1.00 0.00 H new ATOM 0 HE2 MET A 111 4.875 -13.179 -4.640 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.328 -11.495 -4.287 1.00 0.00 H new ATOM 1820 N LYS A 112 0.978 -12.573 0.247 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.256 -13.299 0.523 1.00 0.00 C ATOM 1822 C LYS A 112 -1.475 -12.455 0.163 1.00 0.00 C ATOM 1823 O LYS A 112 -2.429 -12.951 -0.437 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.318 -13.698 1.999 1.00 0.00 C ATOM 1825 CG LYS A 112 0.719 -14.736 2.392 1.00 0.00 C ATOM 1826 CD LYS A 112 0.411 -16.091 1.780 1.00 0.00 C ATOM 1827 CE LYS A 112 1.506 -17.103 2.085 1.00 0.00 C ATOM 1828 NZ LYS A 112 1.554 -17.448 3.533 1.00 0.00 N ATOM 0 H LYS A 112 1.718 -12.725 0.932 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.264 -14.199 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.180 -12.808 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.312 -14.087 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.706 -14.406 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.752 -14.825 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.541 -16.457 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.301 -15.987 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.337 -18.008 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.470 -16.699 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.242 -18.213 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.840 -16.611 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.613 -17.761 3.847 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.437 -11.179 0.532 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.537 -10.267 0.244 1.00 0.00 C ATOM 1844 C ALA A 113 -2.554 -9.876 -1.230 1.00 0.00 C ATOM 1845 O ALA A 113 -3.481 -10.221 -1.962 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.437 -9.027 1.120 1.00 0.00 C ATOM 0 H ALA A 113 -0.656 -10.753 1.031 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.472 -10.782 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.265 -8.354 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.482 -9.318 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.493 -8.519 0.925 1.00 0.00 H new ATOM 1852 N MET A 114 -1.524 -9.154 -1.658 1.00 0.00 N ATOM 1853 CA MET A 114 -1.421 -8.716 -3.045 1.00 0.00 C ATOM 1854 C MET A 114 -1.882 -9.815 -3.997 1.00 0.00 C ATOM 1855 O MET A 114 -2.779 -9.607 -4.815 1.00 0.00 O ATOM 1856 CB MET A 114 0.018 -8.313 -3.370 1.00 0.00 C ATOM 1857 CG MET A 114 0.430 -6.983 -2.760 1.00 0.00 C ATOM 1858 SD MET A 114 1.961 -6.341 -3.462 1.00 0.00 S ATOM 1859 CE MET A 114 2.543 -5.310 -2.118 1.00 0.00 C ATOM 0 H MET A 114 -0.749 -8.860 -1.064 1.00 0.00 H new ATOM 0 HA MET A 114 -2.070 -7.850 -3.176 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.693 -9.091 -3.014 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.136 -8.259 -4.452 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.368 -6.256 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.551 -7.104 -1.683 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.591 -5.057 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.951 -4.396 -2.078 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.442 -5.849 -1.176 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.262 -10.985 -3.886 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.608 -12.118 -4.738 1.00 0.00 C ATOM 1871 C LEU A 115 -3.116 -12.345 -4.757 1.00 0.00 C ATOM 1872 O LEU A 115 -3.712 -12.539 -5.816 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.896 -13.382 -4.253 1.00 0.00 C ATOM 1874 CG LEU A 115 0.477 -13.657 -4.866 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.374 -13.767 -6.379 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.464 -12.566 -4.475 1.00 0.00 C ATOM 0 H LEU A 115 -0.518 -11.174 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.281 -11.891 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.782 -13.318 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.540 -14.238 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 115 0.843 -14.607 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.361 -13.963 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.299 -14.584 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.014 -12.833 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.436 -12.778 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.103 -11.603 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.561 -12.535 -3.390 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.728 -12.317 -3.577 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.167 -12.516 -3.458 1.00 0.00 C ATOM 1890 C ASP A 116 -5.922 -11.624 -4.439 1.00 0.00 C ATOM 1891 O ASP A 116 -6.885 -12.057 -5.072 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.627 -12.226 -2.028 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.944 -12.898 -1.696 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.134 -14.064 -2.102 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -7.786 -12.259 -1.031 1.00 0.00 O ATOM 0 H ASP A 116 -3.249 -12.158 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.386 -13.556 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.863 -12.565 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.728 -11.149 -1.893 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.479 -10.377 -4.559 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.113 -9.425 -5.463 1.00 0.00 C ATOM 1902 C ALA A 117 -5.659 -9.649 -6.901 1.00 0.00 C ATOM 1903 O ALA A 117 -6.480 -9.753 -7.812 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.807 -8.000 -5.027 1.00 0.00 C ATOM 0 H ALA A 117 -4.684 -10.002 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.191 -9.583 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.286 -7.299 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.186 -7.839 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.729 -7.839 -5.040 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.347 -9.722 -7.099 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.785 -9.935 -8.427 1.00 0.00 C ATOM 1912 C ALA A 118 -4.474 -11.096 -9.135 1.00 0.00 C ATOM 1913 O ALA A 118 -4.947 -10.956 -10.263 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.287 -10.186 -8.332 1.00 0.00 C ATOM 0 H ALA A 118 -3.653 -9.637 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.955 -9.033 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.880 -10.343 -9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.802 -9.324 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.104 -11.071 -7.722 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.527 -12.243 -8.466 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.158 -13.430 -9.032 1.00 0.00 C ATOM 1922 C LEU A 119 -6.513 -13.088 -9.642 1.00 0.00 C ATOM 1923 O LEU A 119 -6.980 -13.761 -10.561 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.327 -14.504 -7.955 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.586 -14.398 -7.094 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.757 -15.093 -7.771 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.339 -14.989 -5.713 1.00 0.00 C ATOM 0 H LEU A 119 -4.141 -12.376 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.512 -13.814 -9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.324 -15.480 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.458 -14.471 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.835 -13.343 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.644 -15.007 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.949 -14.625 -8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.519 -16.146 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.246 -14.905 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.065 -16.039 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.530 -14.446 -5.224 1.00 0.00 H new ATOM 1939 N VAL A 120 -7.140 -12.036 -9.126 1.00 0.00 N ATOM 1940 CA VAL A 120 -8.441 -11.601 -9.622 1.00 0.00 C ATOM 1941 C VAL A 120 -8.382 -11.281 -11.112 1.00 0.00 C ATOM 1942 O VAL A 120 -7.473 -10.590 -11.572 1.00 0.00 O ATOM 1943 CB VAL A 120 -8.946 -10.361 -8.862 1.00 0.00 C ATOM 1944 CG1 VAL A 120 -10.337 -9.972 -9.338 1.00 0.00 C ATOM 1945 CG2 VAL A 120 -8.939 -10.617 -7.362 1.00 0.00 C ATOM 0 H VAL A 120 -6.768 -11.469 -8.364 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.134 -12.426 -9.457 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.272 -9.530 -9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.677 -9.094 -8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -10.307 -9.745 -10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -11.026 -10.798 -9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.299 -9.730 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.589 -11.461 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -7.924 -10.843 -7.036 1.00 0.00 H new ATOM 1955 N GLN A 121 -9.356 -11.789 -11.859 1.00 0.00 N ATOM 1956 CA GLN A 121 -9.415 -11.557 -13.298 1.00 0.00 C ATOM 1957 C GLN A 121 -10.611 -10.683 -13.660 1.00 0.00 C ATOM 1958 O GLN A 121 -11.413 -11.037 -14.526 1.00 0.00 O ATOM 1959 CB GLN A 121 -9.494 -12.888 -14.047 1.00 0.00 C ATOM 1960 CG GLN A 121 -8.245 -13.742 -13.904 1.00 0.00 C ATOM 1961 CD GLN A 121 -8.524 -15.220 -14.098 1.00 0.00 C ATOM 1962 OE1 GLN A 121 -8.660 -15.695 -15.226 1.00 0.00 O ATOM 1963 NE2 GLN A 121 -8.609 -15.956 -12.996 1.00 0.00 N ATOM 0 H GLN A 121 -10.115 -12.364 -11.493 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.505 -11.035 -13.595 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -10.353 -13.451 -13.681 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -9.670 -12.690 -15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.502 -13.418 -14.633 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.813 -13.584 -12.916 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -8.490 -15.521 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -8.794 -16.957 -13.064 1.00 0.00 H new ATOM 1972 N THR A 122 -10.727 -9.540 -12.992 1.00 0.00 N ATOM 1973 CA THR A 122 -11.826 -8.616 -13.242 1.00 0.00 C ATOM 1974 C THR A 122 -11.384 -7.466 -14.139 1.00 0.00 C ATOM 1975 O THR A 122 -11.817 -6.327 -13.963 1.00 0.00 O ATOM 1976 CB THR A 122 -12.387 -8.041 -11.928 1.00 0.00 C ATOM 1977 OG1 THR A 122 -13.555 -7.257 -12.195 1.00 0.00 O ATOM 1978 CG2 THR A 122 -11.346 -7.185 -11.224 1.00 0.00 C ATOM 0 H THR A 122 -10.073 -9.232 -12.273 1.00 0.00 H new ATOM 0 HA THR A 122 -12.609 -9.185 -13.744 1.00 0.00 H new ATOM 0 HB THR A 122 -12.650 -8.874 -11.276 1.00 0.00 H new ATOM 0 HG1 THR A 122 -13.334 -6.548 -12.834 1.00 0.00 H new ATOM 0 HG21 THR A 122 -11.765 -6.790 -10.299 1.00 0.00 H new ATOM 0 HG22 THR A 122 -10.470 -7.792 -10.995 1.00 0.00 H new ATOM 0 HG23 THR A 122 -11.055 -6.359 -11.873 1.00 0.00 H new ATOM 1986 N SER A 123 -10.521 -7.771 -15.103 1.00 0.00 N ATOM 1987 CA SER A 123 -10.018 -6.760 -16.026 1.00 0.00 C ATOM 1988 C SER A 123 -11.093 -6.359 -17.031 1.00 0.00 C ATOM 1989 O SER A 123 -12.060 -7.090 -17.248 1.00 0.00 O ATOM 1990 CB SER A 123 -8.784 -7.283 -16.764 1.00 0.00 C ATOM 1991 OG SER A 123 -9.047 -8.532 -17.378 1.00 0.00 O ATOM 0 H SER A 123 -10.156 -8.709 -15.265 1.00 0.00 H new ATOM 0 HA SER A 123 -9.741 -5.880 -15.446 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.475 -6.561 -17.520 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.955 -7.386 -16.064 1.00 0.00 H new ATOM 0 HG SER A 123 -8.243 -8.843 -17.844 1.00 0.00 H new ATOM 1997 N GLY A 124 -10.918 -5.192 -17.643 1.00 0.00 N ATOM 1998 CA GLY A 124 -11.880 -4.713 -18.618 1.00 0.00 C ATOM 1999 C GLY A 124 -12.078 -5.685 -19.763 1.00 0.00 C ATOM 2000 O GLY A 124 -13.173 -6.203 -19.984 1.00 0.00 O ATOM 0 H GLY A 124 -10.127 -4.569 -17.481 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.836 -4.538 -18.125 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -11.545 -3.754 -19.013 1.00 0.00 H new ATOM 2004 N PRO A 125 -11.000 -5.945 -20.517 1.00 0.00 N ATOM 2005 CA PRO A 125 -11.035 -6.863 -21.660 1.00 0.00 C ATOM 2006 C PRO A 125 -11.741 -8.173 -21.329 1.00 0.00 C ATOM 2007 O PRO A 125 -12.264 -8.848 -22.216 1.00 0.00 O ATOM 2008 CB PRO A 125 -9.555 -7.113 -21.960 1.00 0.00 C ATOM 2009 CG PRO A 125 -8.859 -5.886 -21.482 1.00 0.00 C ATOM 2010 CD PRO A 125 -9.663 -5.363 -20.312 1.00 0.00 C ATOM 0 HA PRO A 125 -11.589 -6.446 -22.501 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -9.191 -8.001 -21.444 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.389 -7.273 -23.025 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -7.837 -6.113 -21.179 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -8.799 -5.141 -22.275 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -9.233 -5.674 -19.360 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -9.698 -4.274 -20.305 1.00 0.00 H new ATOM 2018 N SER A 126 -11.752 -8.527 -20.048 1.00 0.00 N ATOM 2019 CA SER A 126 -12.391 -9.759 -19.601 1.00 0.00 C ATOM 2020 C SER A 126 -13.630 -10.064 -20.438 1.00 0.00 C ATOM 2021 O SER A 126 -14.389 -9.162 -20.794 1.00 0.00 O ATOM 2022 CB SER A 126 -12.773 -9.654 -18.123 1.00 0.00 C ATOM 2023 OG SER A 126 -13.863 -8.767 -17.941 1.00 0.00 O ATOM 0 H SER A 126 -11.326 -7.978 -19.301 1.00 0.00 H new ATOM 0 HA SER A 126 -11.679 -10.574 -19.728 1.00 0.00 H new ATOM 0 HB2 SER A 126 -13.035 -10.641 -17.741 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.916 -9.306 -17.546 1.00 0.00 H new ATOM 0 HG SER A 126 -13.539 -7.924 -17.560 1.00 0.00 H new ATOM 2029 N SER A 127 -13.828 -11.341 -20.748 1.00 0.00 N ATOM 2030 CA SER A 127 -14.972 -11.765 -21.546 1.00 0.00 C ATOM 2031 C SER A 127 -15.373 -13.197 -21.203 1.00 0.00 C ATOM 2032 O SER A 127 -14.608 -14.136 -21.418 1.00 0.00 O ATOM 2033 CB SER A 127 -14.648 -11.658 -23.038 1.00 0.00 C ATOM 2034 OG SER A 127 -14.959 -10.369 -23.536 1.00 0.00 O ATOM 0 H SER A 127 -13.211 -12.100 -20.459 1.00 0.00 H new ATOM 0 HA SER A 127 -15.809 -11.106 -21.315 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.591 -11.868 -23.200 1.00 0.00 H new ATOM 0 HB3 SER A 127 -15.211 -12.410 -23.590 1.00 0.00 H new ATOM 0 HG SER A 127 -14.859 -9.708 -22.819 1.00 0.00 H new ATOM 2040 N GLY A 128 -16.579 -13.354 -20.666 1.00 0.00 N ATOM 2041 CA GLY A 128 -17.062 -14.673 -20.301 1.00 0.00 C ATOM 2042 C GLY A 128 -17.439 -14.767 -18.836 1.00 0.00 C ATOM 2043 O GLY A 128 -18.560 -15.150 -18.499 1.00 0.00 O ATOM 0 H GLY A 128 -17.230 -12.592 -20.477 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -17.929 -14.921 -20.913 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -16.293 -15.413 -20.523 1.00 0.00 H new TER 2047 GLY A 128