USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 971 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 36 GLN : amide:sc= -12.4! C(o=-12!,f=-17!) USER MOD Set 1.2: A 84 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0308 (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 9 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.043) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0643 USER MOD Single : A 18 SER OG : rot 180:sc= -0.886! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.66) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 31 MET CE :methyl 157:sc= -0.0214 (180deg=-0.296) USER MOD Single : A 34 TYR OH : rot -130:sc= -0.22 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 39 CYS SG : rot 180:sc= -2.15 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.818 K(o=0.82,f=-5.4!) USER MOD Single : A 44 GLN : amide:sc= -4.35! C(o=-4.3!,f=-8.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -90:sc= -0.0894 USER MOD Single : A 47 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.15) USER MOD Single : A 52 MET CE :methyl -135:sc= -0.503 (180deg=-3.15!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0948 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.47) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 71 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0378) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00301) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 165:sc= -0.0375 USER MOD Single : A 111 ASN : amide:sc= -0.784 K(o=-0.78,f=-4.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.514 20.708 4.775 1.00 0.00 N ATOM 2 CA GLY A 1 -27.307 21.518 4.775 1.00 0.00 C ATOM 3 C GLY A 1 -26.460 21.237 3.532 1.00 0.00 C ATOM 4 O GLY A 1 -26.398 20.103 3.061 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.741 20.423 5.749 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.303 21.261 4.383 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.363 19.860 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.573 22.574 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.724 21.309 5.672 1.00 0.00 H new ATOM 8 N SER A 2 -25.827 22.291 3.037 1.00 0.00 N ATOM 9 CA SER A 2 -24.985 22.172 1.859 1.00 0.00 C ATOM 10 C SER A 2 -23.699 21.420 2.207 1.00 0.00 C ATOM 11 O SER A 2 -23.391 21.222 3.382 1.00 0.00 O ATOM 12 CB SER A 2 -24.654 23.548 1.277 1.00 0.00 C ATOM 13 OG SER A 2 -23.832 24.314 2.154 1.00 0.00 O ATOM 0 H SER A 2 -25.880 23.231 3.430 1.00 0.00 H new ATOM 0 HA SER A 2 -25.533 21.610 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.147 23.425 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.579 24.091 1.080 1.00 0.00 H new ATOM 0 HG SER A 2 -23.641 25.185 1.746 1.00 0.00 H new ATOM 19 N SER A 3 -22.983 21.022 1.166 1.00 0.00 N ATOM 20 CA SER A 3 -21.737 20.297 1.348 1.00 0.00 C ATOM 21 C SER A 3 -20.877 20.410 0.087 1.00 0.00 C ATOM 22 O SER A 3 -21.382 20.280 -1.027 1.00 0.00 O ATOM 23 CB SER A 3 -22.000 18.827 1.681 1.00 0.00 C ATOM 24 OG SER A 3 -20.834 18.175 2.177 1.00 0.00 O ATOM 0 H SER A 3 -23.242 21.188 0.193 1.00 0.00 H new ATOM 0 HA SER A 3 -21.201 20.742 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.796 18.760 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.352 18.310 0.788 1.00 0.00 H new ATOM 0 HG SER A 3 -21.044 17.239 2.379 1.00 0.00 H new ATOM 30 N GLY A 4 -19.593 20.651 0.306 1.00 0.00 N ATOM 31 CA GLY A 4 -18.658 20.783 -0.798 1.00 0.00 C ATOM 32 C GLY A 4 -17.498 19.796 -0.656 1.00 0.00 C ATOM 33 O GLY A 4 -17.605 18.806 0.067 1.00 0.00 O ATOM 0 H GLY A 4 -19.178 20.758 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.176 20.607 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.271 21.802 -0.832 1.00 0.00 H new ATOM 37 N SER A 5 -16.415 20.099 -1.356 1.00 0.00 N ATOM 38 CA SER A 5 -15.236 19.251 -1.317 1.00 0.00 C ATOM 39 C SER A 5 -14.104 19.889 -2.125 1.00 0.00 C ATOM 40 O SER A 5 -14.344 20.474 -3.180 1.00 0.00 O ATOM 41 CB SER A 5 -15.546 17.851 -1.852 1.00 0.00 C ATOM 42 OG SER A 5 -15.604 17.825 -3.275 1.00 0.00 O ATOM 0 H SER A 5 -16.329 20.921 -1.954 1.00 0.00 H new ATOM 0 HA SER A 5 -14.921 19.152 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.782 17.154 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.497 17.509 -1.444 1.00 0.00 H new ATOM 0 HG SER A 5 -15.802 16.914 -3.578 1.00 0.00 H new ATOM 48 N SER A 6 -12.896 19.756 -1.599 1.00 0.00 N ATOM 49 CA SER A 6 -11.727 20.312 -2.258 1.00 0.00 C ATOM 50 C SER A 6 -10.460 19.627 -1.743 1.00 0.00 C ATOM 51 O SER A 6 -10.473 19.007 -0.681 1.00 0.00 O ATOM 52 CB SER A 6 -11.639 21.824 -2.039 1.00 0.00 C ATOM 53 OG SER A 6 -11.895 22.553 -3.237 1.00 0.00 O ATOM 0 H SER A 6 -12.701 19.271 -0.723 1.00 0.00 H new ATOM 0 HA SER A 6 -11.820 20.131 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.355 22.122 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.648 22.079 -1.664 1.00 0.00 H new ATOM 0 HG SER A 6 -11.831 23.514 -3.055 1.00 0.00 H new ATOM 59 N GLY A 7 -9.395 19.762 -2.520 1.00 0.00 N ATOM 60 CA GLY A 7 -8.122 19.163 -2.156 1.00 0.00 C ATOM 61 C GLY A 7 -7.066 19.423 -3.232 1.00 0.00 C ATOM 62 O GLY A 7 -7.305 20.180 -4.171 1.00 0.00 O ATOM 0 H GLY A 7 -9.388 20.277 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.784 19.570 -1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.248 18.089 -2.017 1.00 0.00 H new ATOM 66 N PRO A 8 -5.890 18.763 -3.055 1.00 0.00 N ATOM 67 CA PRO A 8 -4.797 18.915 -4.000 1.00 0.00 C ATOM 68 C PRO A 8 -5.076 18.142 -5.290 1.00 0.00 C ATOM 69 O PRO A 8 -6.210 17.736 -5.543 1.00 0.00 O ATOM 70 CB PRO A 8 -3.567 18.413 -3.262 1.00 0.00 C ATOM 71 CG PRO A 8 -4.087 17.571 -2.108 1.00 0.00 C ATOM 72 CD PRO A 8 -5.572 17.857 -1.955 1.00 0.00 C ATOM 0 HA PRO A 8 -4.659 19.947 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.931 17.822 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.964 19.245 -2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.920 16.512 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.555 17.813 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.160 16.941 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.790 18.314 -0.990 1.00 0.00 H new ATOM 80 N HIS A 9 -4.023 17.961 -6.074 1.00 0.00 N ATOM 81 CA HIS A 9 -4.141 17.244 -7.332 1.00 0.00 C ATOM 82 C HIS A 9 -2.780 17.209 -8.032 1.00 0.00 C ATOM 83 O HIS A 9 -2.043 18.193 -8.012 1.00 0.00 O ATOM 84 CB HIS A 9 -5.240 17.854 -8.204 1.00 0.00 C ATOM 85 CG HIS A 9 -5.141 19.352 -8.360 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.105 20.221 -7.880 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.182 20.126 -8.945 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.734 21.460 -8.170 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.542 21.399 -8.830 1.00 0.00 N ATOM 0 H HIS A 9 -3.084 18.299 -5.862 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.440 16.213 -7.141 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.204 17.393 -9.191 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.210 17.607 -7.773 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.282 19.765 -9.421 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.280 22.360 -7.926 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.014 22.199 -9.178 1.00 0.00 H new ATOM 97 N GLY A 10 -2.490 16.066 -8.634 1.00 0.00 N ATOM 98 CA GLY A 10 -1.232 15.889 -9.339 1.00 0.00 C ATOM 99 C GLY A 10 -0.938 14.407 -9.576 1.00 0.00 C ATOM 100 O GLY A 10 -1.680 13.729 -10.286 1.00 0.00 O ATOM 0 H GLY A 10 -3.105 15.252 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.270 16.413 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.422 16.336 -8.762 1.00 0.00 H new ATOM 104 N THR A 11 0.144 13.946 -8.967 1.00 0.00 N ATOM 105 CA THR A 11 0.545 12.556 -9.103 1.00 0.00 C ATOM 106 C THR A 11 1.050 12.013 -7.764 1.00 0.00 C ATOM 107 O THR A 11 1.576 12.764 -6.945 1.00 0.00 O ATOM 108 CB THR A 11 1.582 12.469 -10.224 1.00 0.00 C ATOM 109 OG1 THR A 11 0.848 12.793 -11.402 1.00 0.00 O ATOM 110 CG2 THR A 11 2.064 11.038 -10.467 1.00 0.00 C ATOM 0 H THR A 11 0.756 14.511 -8.378 1.00 0.00 H new ATOM 0 HA THR A 11 -0.302 11.926 -9.375 1.00 0.00 H new ATOM 0 HB THR A 11 2.435 13.102 -9.979 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.445 12.762 -12.178 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.798 11.033 -11.272 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.521 10.648 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.217 10.411 -10.745 1.00 0.00 H new ATOM 118 N LEU A 12 0.872 10.713 -7.584 1.00 0.00 N ATOM 119 CA LEU A 12 1.303 10.061 -6.359 1.00 0.00 C ATOM 120 C LEU A 12 2.375 9.020 -6.690 1.00 0.00 C ATOM 121 O LEU A 12 2.365 8.437 -7.773 1.00 0.00 O ATOM 122 CB LEU A 12 0.101 9.487 -5.606 1.00 0.00 C ATOM 123 CG LEU A 12 0.418 8.447 -4.529 1.00 0.00 C ATOM 124 CD1 LEU A 12 1.030 9.108 -3.292 1.00 0.00 C ATOM 125 CD2 LEU A 12 -0.822 7.620 -4.183 1.00 0.00 C ATOM 0 H LEU A 12 0.435 10.093 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 12 1.758 10.784 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.438 10.312 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.575 9.035 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 12 1.163 7.758 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.246 8.347 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.954 9.616 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.327 9.833 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.569 6.889 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.607 8.279 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.175 7.102 -5.075 1.00 0.00 H new ATOM 137 N GLU A 13 3.273 8.819 -5.737 1.00 0.00 N ATOM 138 CA GLU A 13 4.349 7.859 -5.914 1.00 0.00 C ATOM 139 C GLU A 13 4.339 6.835 -4.777 1.00 0.00 C ATOM 140 O GLU A 13 4.884 7.088 -3.704 1.00 0.00 O ATOM 141 CB GLU A 13 5.704 8.564 -6.005 1.00 0.00 C ATOM 142 CG GLU A 13 6.650 7.815 -6.945 1.00 0.00 C ATOM 143 CD GLU A 13 8.108 8.184 -6.664 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.443 9.371 -6.868 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.855 7.270 -6.251 1.00 0.00 O ATOM 0 H GLU A 13 3.278 9.304 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 13 4.188 7.331 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.564 9.584 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.150 8.632 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.513 6.740 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.404 8.053 -7.980 1.00 0.00 H new ATOM 152 N VAL A 14 3.714 5.699 -5.052 1.00 0.00 N ATOM 153 CA VAL A 14 3.626 4.636 -4.065 1.00 0.00 C ATOM 154 C VAL A 14 4.876 3.758 -4.155 1.00 0.00 C ATOM 155 O VAL A 14 5.160 3.182 -5.204 1.00 0.00 O ATOM 156 CB VAL A 14 2.328 3.850 -4.258 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.309 2.599 -3.377 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.107 4.731 -3.985 1.00 0.00 C ATOM 0 H VAL A 14 3.264 5.492 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 14 3.592 5.051 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 14 2.283 3.528 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.376 2.058 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.149 1.956 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.389 2.890 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.198 4.148 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.144 5.097 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.108 5.577 -4.672 1.00 0.00 H new ATOM 168 N VAL A 15 5.589 3.684 -3.041 1.00 0.00 N ATOM 169 CA VAL A 15 6.802 2.886 -2.981 1.00 0.00 C ATOM 170 C VAL A 15 6.613 1.753 -1.970 1.00 0.00 C ATOM 171 O VAL A 15 6.842 1.938 -0.775 1.00 0.00 O ATOM 172 CB VAL A 15 8.001 3.780 -2.660 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.298 2.967 -2.627 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.105 4.937 -3.656 1.00 0.00 C ATOM 0 H VAL A 15 5.350 4.163 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 15 7.005 2.427 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 15 7.846 4.205 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.135 3.626 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.224 2.194 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.460 2.501 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.966 5.557 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.226 4.540 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.198 5.540 -3.610 1.00 0.00 H new ATOM 184 N LEU A 16 6.197 0.606 -2.485 1.00 0.00 N ATOM 185 CA LEU A 16 5.974 -0.556 -1.642 1.00 0.00 C ATOM 186 C LEU A 16 7.323 -1.168 -1.258 1.00 0.00 C ATOM 187 O LEU A 16 7.814 -2.071 -1.934 1.00 0.00 O ATOM 188 CB LEU A 16 5.025 -1.541 -2.327 1.00 0.00 C ATOM 189 CG LEU A 16 4.928 -2.930 -1.693 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.528 -2.834 -0.219 1.00 0.00 C ATOM 191 CD2 LEU A 16 3.978 -3.830 -2.486 1.00 0.00 C ATOM 0 H LEU A 16 6.008 0.456 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 16 5.479 -0.265 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.028 -1.101 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.341 -1.658 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 16 5.915 -3.391 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.466 -3.835 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.275 -2.254 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.558 -2.344 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.927 -4.811 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.984 -3.384 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.345 -3.937 -3.507 1.00 0.00 H new ATOM 203 N VAL A 17 7.884 -0.652 -0.174 1.00 0.00 N ATOM 204 CA VAL A 17 9.166 -1.136 0.308 1.00 0.00 C ATOM 205 C VAL A 17 9.051 -2.625 0.642 1.00 0.00 C ATOM 206 O VAL A 17 9.339 -3.477 -0.198 1.00 0.00 O ATOM 207 CB VAL A 17 9.632 -0.292 1.495 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.858 -0.916 2.165 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.916 1.149 1.066 1.00 0.00 C ATOM 0 H VAL A 17 7.474 0.097 0.384 1.00 0.00 H new ATOM 0 HA VAL A 17 9.928 -1.033 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 17 8.825 -0.271 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.168 -0.296 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.608 -1.914 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.672 -0.983 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.246 1.727 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.697 1.155 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.008 1.593 0.657 1.00 0.00 H new ATOM 219 N SER A 18 8.631 -2.893 1.869 1.00 0.00 N ATOM 220 CA SER A 18 8.475 -4.264 2.324 1.00 0.00 C ATOM 221 C SER A 18 7.301 -4.361 3.301 1.00 0.00 C ATOM 222 O SER A 18 6.506 -3.429 3.415 1.00 0.00 O ATOM 223 CB SER A 18 9.757 -4.775 2.984 1.00 0.00 C ATOM 224 OG SER A 18 9.607 -4.932 4.392 1.00 0.00 O ATOM 0 H SER A 18 8.394 -2.184 2.563 1.00 0.00 H new ATOM 0 HA SER A 18 8.270 -4.891 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.037 -5.731 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.571 -4.079 2.782 1.00 0.00 H new ATOM 0 HG SER A 18 10.446 -5.261 4.776 1.00 0.00 H new ATOM 230 N ALA A 19 7.229 -5.496 3.980 1.00 0.00 N ATOM 231 CA ALA A 19 6.166 -5.726 4.943 1.00 0.00 C ATOM 232 C ALA A 19 6.587 -6.840 5.904 1.00 0.00 C ATOM 233 O ALA A 19 6.795 -7.978 5.489 1.00 0.00 O ATOM 234 CB ALA A 19 4.869 -6.056 4.202 1.00 0.00 C ATOM 0 H ALA A 19 7.890 -6.267 3.882 1.00 0.00 H new ATOM 0 HA ALA A 19 5.984 -4.829 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.071 -6.229 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.598 -5.222 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.013 -6.952 3.599 1.00 0.00 H new ATOM 240 N LYS A 20 6.701 -6.471 7.172 1.00 0.00 N ATOM 241 CA LYS A 20 7.093 -7.424 8.196 1.00 0.00 C ATOM 242 C LYS A 20 5.860 -7.838 9.001 1.00 0.00 C ATOM 243 O LYS A 20 4.922 -7.057 9.153 1.00 0.00 O ATOM 244 CB LYS A 20 8.224 -6.854 9.054 1.00 0.00 C ATOM 245 CG LYS A 20 9.528 -6.772 8.257 1.00 0.00 C ATOM 246 CD LYS A 20 10.086 -5.347 8.264 1.00 0.00 C ATOM 247 CE LYS A 20 11.532 -5.322 7.766 1.00 0.00 C ATOM 248 NZ LYS A 20 12.474 -5.395 8.905 1.00 0.00 N ATOM 0 H LYS A 20 6.529 -5.525 7.513 1.00 0.00 H new ATOM 0 HA LYS A 20 7.495 -8.329 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.949 -5.862 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.370 -7.481 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.262 -7.456 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.352 -7.092 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.469 -4.708 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.038 -4.939 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.704 -6.159 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.711 -4.410 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.451 -5.377 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.320 -4.582 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.314 -6.277 9.432 1.00 0.00 H new ATOM 262 N GLY A 21 5.900 -9.067 9.496 1.00 0.00 N ATOM 263 CA GLY A 21 4.798 -9.594 10.282 1.00 0.00 C ATOM 264 C GLY A 21 4.987 -9.284 11.769 1.00 0.00 C ATOM 265 O GLY A 21 5.455 -8.204 12.127 1.00 0.00 O ATOM 0 H GLY A 21 6.679 -9.713 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.859 -9.163 9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.727 -10.672 10.138 1.00 0.00 H new ATOM 269 N LEU A 22 4.613 -10.251 12.594 1.00 0.00 N ATOM 270 CA LEU A 22 4.735 -10.095 14.033 1.00 0.00 C ATOM 271 C LEU A 22 5.672 -11.174 14.581 1.00 0.00 C ATOM 272 O LEU A 22 5.970 -12.149 13.893 1.00 0.00 O ATOM 273 CB LEU A 22 3.354 -10.089 14.691 1.00 0.00 C ATOM 274 CG LEU A 22 2.500 -8.843 14.445 1.00 0.00 C ATOM 275 CD1 LEU A 22 1.053 -9.075 14.883 1.00 0.00 C ATOM 276 CD2 LEU A 22 3.114 -7.616 15.122 1.00 0.00 C ATOM 0 H LEU A 22 4.225 -11.145 12.293 1.00 0.00 H new ATOM 0 HA LEU A 22 5.182 -9.131 14.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.801 -10.960 14.338 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.485 -10.209 15.766 1.00 0.00 H new ATOM 0 HG LEU A 22 2.484 -8.646 13.373 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.468 -8.174 14.697 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.630 -9.905 14.317 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.028 -9.311 15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.488 -6.744 14.932 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.180 -7.788 16.196 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.112 -7.440 14.721 1.00 0.00 H new ATOM 288 N GLU A 23 6.110 -10.962 15.813 1.00 0.00 N ATOM 289 CA GLU A 23 7.007 -11.904 16.461 1.00 0.00 C ATOM 290 C GLU A 23 6.212 -13.058 17.074 1.00 0.00 C ATOM 291 O GLU A 23 6.765 -14.122 17.348 1.00 0.00 O ATOM 292 CB GLU A 23 7.864 -11.206 17.519 1.00 0.00 C ATOM 293 CG GLU A 23 6.997 -10.661 18.655 1.00 0.00 C ATOM 294 CD GLU A 23 7.639 -9.425 19.290 1.00 0.00 C ATOM 295 OE1 GLU A 23 7.726 -8.402 18.578 1.00 0.00 O ATOM 296 OE2 GLU A 23 8.027 -9.533 20.473 1.00 0.00 O ATOM 0 H GLU A 23 5.861 -10.152 16.380 1.00 0.00 H new ATOM 0 HA GLU A 23 7.680 -12.312 15.707 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.596 -11.907 17.920 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.422 -10.390 17.060 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.009 -10.406 18.273 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.857 -11.432 19.412 1.00 0.00 H new ATOM 303 N ASP A 24 4.925 -12.809 17.271 1.00 0.00 N ATOM 304 CA ASP A 24 4.048 -13.815 17.846 1.00 0.00 C ATOM 305 C ASP A 24 2.842 -14.020 16.927 1.00 0.00 C ATOM 306 O ASP A 24 1.704 -14.063 17.391 1.00 0.00 O ATOM 307 CB ASP A 24 3.529 -13.374 19.216 1.00 0.00 C ATOM 308 CG ASP A 24 4.534 -13.507 20.362 1.00 0.00 C ATOM 309 OD1 ASP A 24 5.614 -14.080 20.106 1.00 0.00 O ATOM 310 OD2 ASP A 24 4.198 -13.034 21.469 1.00 0.00 O ATOM 0 H ASP A 24 4.469 -11.926 17.043 1.00 0.00 H new ATOM 0 HA ASP A 24 4.619 -14.737 17.956 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.212 -12.333 19.150 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.644 -13.962 19.459 1.00 0.00 H new ATOM 315 N ALA A 25 3.133 -14.140 15.640 1.00 0.00 N ATOM 316 CA ALA A 25 2.087 -14.339 14.652 1.00 0.00 C ATOM 317 C ALA A 25 2.711 -14.845 13.350 1.00 0.00 C ATOM 318 O ALA A 25 3.674 -14.264 12.853 1.00 0.00 O ATOM 319 CB ALA A 25 1.311 -13.035 14.459 1.00 0.00 C ATOM 0 H ALA A 25 4.078 -14.103 15.259 1.00 0.00 H new ATOM 0 HA ALA A 25 1.377 -15.093 14.992 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.526 -13.185 13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.863 -12.735 15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.990 -12.255 14.116 1.00 0.00 H new ATOM 325 N ASP A 26 2.136 -15.921 12.834 1.00 0.00 N ATOM 326 CA ASP A 26 2.624 -16.511 11.599 1.00 0.00 C ATOM 327 C ASP A 26 1.971 -15.806 10.409 1.00 0.00 C ATOM 328 O ASP A 26 0.904 -16.212 9.952 1.00 0.00 O ATOM 329 CB ASP A 26 2.269 -17.997 11.521 1.00 0.00 C ATOM 330 CG ASP A 26 2.966 -18.885 12.554 1.00 0.00 C ATOM 331 OD1 ASP A 26 2.800 -18.591 13.758 1.00 0.00 O ATOM 332 OD2 ASP A 26 3.649 -19.836 12.117 1.00 0.00 O ATOM 0 H ASP A 26 1.337 -16.400 13.249 1.00 0.00 H new ATOM 0 HA ASP A 26 3.708 -16.397 11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.191 -18.104 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.517 -18.362 10.524 1.00 0.00 H new ATOM 337 N PHE A 27 2.639 -14.762 9.942 1.00 0.00 N ATOM 338 CA PHE A 27 2.137 -13.996 8.814 1.00 0.00 C ATOM 339 C PHE A 27 3.233 -13.776 7.769 1.00 0.00 C ATOM 340 O PHE A 27 4.312 -13.279 8.091 1.00 0.00 O ATOM 341 CB PHE A 27 1.689 -12.638 9.359 1.00 0.00 C ATOM 342 CG PHE A 27 1.201 -11.666 8.283 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.542 -12.136 7.190 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.426 -10.332 8.419 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.090 -11.234 6.191 1.00 0.00 C ATOM 346 CE2 PHE A 27 0.973 -9.429 7.421 1.00 0.00 C ATOM 347 CZ PHE A 27 0.315 -9.899 6.328 1.00 0.00 C ATOM 0 H PHE A 27 3.524 -14.428 10.324 1.00 0.00 H new ATOM 0 HA PHE A 27 1.318 -14.533 8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.889 -12.794 10.083 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.520 -12.182 9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.362 -13.195 7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.950 -9.959 9.287 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.432 -11.607 5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.151 -8.369 7.530 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.029 -9.213 5.568 1.00 0.00 H new ATOM 357 N LEU A 28 2.919 -14.155 6.539 1.00 0.00 N ATOM 358 CA LEU A 28 3.864 -14.006 5.446 1.00 0.00 C ATOM 359 C LEU A 28 5.026 -14.982 5.644 1.00 0.00 C ATOM 360 O LEU A 28 6.158 -14.691 5.261 1.00 0.00 O ATOM 361 CB LEU A 28 4.303 -12.546 5.313 1.00 0.00 C ATOM 362 CG LEU A 28 3.188 -11.532 5.047 1.00 0.00 C ATOM 363 CD1 LEU A 28 3.609 -10.128 5.485 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.751 -11.569 3.581 1.00 0.00 C ATOM 0 H LEU A 28 2.023 -14.565 6.275 1.00 0.00 H new ATOM 0 HA LEU A 28 3.392 -14.261 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.819 -12.257 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.030 -12.478 4.503 1.00 0.00 H new ATOM 0 HG LEU A 28 2.322 -11.811 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.799 -9.426 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.831 -10.131 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.497 -9.825 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.958 -10.839 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.601 -11.329 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.383 -12.565 3.336 1.00 0.00 H new ATOM 376 N ASN A 29 4.705 -16.120 6.241 1.00 0.00 N ATOM 377 CA ASN A 29 5.708 -17.140 6.495 1.00 0.00 C ATOM 378 C ASN A 29 6.310 -17.598 5.165 1.00 0.00 C ATOM 379 O ASN A 29 6.410 -16.815 4.222 1.00 0.00 O ATOM 380 CB ASN A 29 5.090 -18.361 7.180 1.00 0.00 C ATOM 381 CG ASN A 29 6.090 -19.018 8.135 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.609 -18.402 9.051 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.329 -20.299 7.870 1.00 0.00 N ATOM 0 H ASN A 29 3.765 -16.358 6.556 1.00 0.00 H new ATOM 0 HA ASN A 29 6.471 -16.710 7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.199 -18.061 7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.772 -19.083 6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.981 -20.827 8.450 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.860 -20.754 7.087 1.00 0.00 H new ATOM 390 N ASN A 30 6.696 -18.865 5.132 1.00 0.00 N ATOM 391 CA ASN A 30 7.286 -19.437 3.934 1.00 0.00 C ATOM 392 C ASN A 30 6.237 -19.471 2.821 1.00 0.00 C ATOM 393 O ASN A 30 5.718 -20.534 2.484 1.00 0.00 O ATOM 394 CB ASN A 30 7.758 -20.871 4.183 1.00 0.00 C ATOM 395 CG ASN A 30 8.907 -20.903 5.193 1.00 0.00 C ATOM 396 OD1 ASN A 30 9.663 -19.956 5.342 1.00 0.00 O ATOM 397 ND2 ASN A 30 8.997 -22.041 5.875 1.00 0.00 N ATOM 0 H ASN A 30 6.612 -19.512 5.916 1.00 0.00 H new ATOM 0 HA ASN A 30 8.139 -18.821 3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.927 -21.472 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.082 -21.319 3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.732 -22.161 6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.331 -22.794 5.701 1.00 0.00 H new ATOM 404 N MET A 31 5.956 -18.295 2.280 1.00 0.00 N ATOM 405 CA MET A 31 4.979 -18.177 1.211 1.00 0.00 C ATOM 406 C MET A 31 5.364 -17.062 0.236 1.00 0.00 C ATOM 407 O MET A 31 6.385 -16.400 0.417 1.00 0.00 O ATOM 408 CB MET A 31 3.603 -17.878 1.809 1.00 0.00 C ATOM 409 CG MET A 31 3.684 -16.746 2.836 1.00 0.00 C ATOM 410 SD MET A 31 2.625 -15.397 2.342 1.00 0.00 S ATOM 411 CE MET A 31 1.029 -16.179 2.506 1.00 0.00 C ATOM 0 H MET A 31 6.388 -17.415 2.562 1.00 0.00 H new ATOM 0 HA MET A 31 4.952 -19.119 0.664 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.909 -17.604 1.014 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.206 -18.776 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.385 -17.113 3.818 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.713 -16.398 2.925 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.262 -15.416 2.640 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.813 -16.757 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.036 -16.842 3.371 1.00 0.00 H new ATOM 421 N ASP A 32 4.528 -16.890 -0.777 1.00 0.00 N ATOM 422 CA ASP A 32 4.768 -15.868 -1.781 1.00 0.00 C ATOM 423 C ASP A 32 3.597 -14.883 -1.790 1.00 0.00 C ATOM 424 O ASP A 32 2.735 -14.947 -2.665 1.00 0.00 O ATOM 425 CB ASP A 32 4.880 -16.483 -3.177 1.00 0.00 C ATOM 426 CG ASP A 32 5.965 -17.551 -3.328 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.604 -17.860 -2.300 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.132 -18.033 -4.469 1.00 0.00 O ATOM 0 H ASP A 32 3.683 -17.442 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 32 5.702 -15.364 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.919 -16.923 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.074 -15.686 -3.894 1.00 0.00 H new ATOM 433 N PRO A 33 3.604 -13.972 -0.780 1.00 0.00 N ATOM 434 CA PRO A 33 2.553 -12.976 -0.664 1.00 0.00 C ATOM 435 C PRO A 33 2.728 -11.871 -1.709 1.00 0.00 C ATOM 436 O PRO A 33 3.784 -11.760 -2.329 1.00 0.00 O ATOM 437 CB PRO A 33 2.652 -12.464 0.764 1.00 0.00 C ATOM 438 CG PRO A 33 4.039 -12.851 1.250 1.00 0.00 C ATOM 439 CD PRO A 33 4.609 -13.867 0.274 1.00 0.00 C ATOM 0 HA PRO A 33 1.562 -13.385 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.512 -11.384 0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.880 -12.908 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.682 -11.973 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.988 -13.273 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.568 -13.538 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.778 -14.829 0.757 1.00 0.00 H new ATOM 447 N TYR A 34 1.676 -11.082 -1.870 1.00 0.00 N ATOM 448 CA TYR A 34 1.699 -9.990 -2.828 1.00 0.00 C ATOM 449 C TYR A 34 0.586 -8.981 -2.537 1.00 0.00 C ATOM 450 O TYR A 34 -0.569 -9.362 -2.355 1.00 0.00 O ATOM 451 CB TYR A 34 1.450 -10.625 -4.198 1.00 0.00 C ATOM 452 CG TYR A 34 -0.023 -10.915 -4.491 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.584 -12.112 -4.092 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.792 -9.980 -5.154 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.970 -12.384 -4.368 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.179 -10.253 -5.429 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.699 -11.441 -5.023 1.00 0.00 C ATOM 458 OH TYR A 34 -4.009 -11.699 -5.284 1.00 0.00 O ATOM 0 H TYR A 34 0.802 -11.177 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 34 2.649 -9.458 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.840 -9.962 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.013 -11.556 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.017 -12.844 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.354 -9.044 -5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.421 -13.316 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.792 -9.530 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.195 -11.521 -6.230 1.00 0.00 H new ATOM 468 N VAL A 35 0.973 -7.715 -2.503 1.00 0.00 N ATOM 469 CA VAL A 35 0.023 -6.648 -2.238 1.00 0.00 C ATOM 470 C VAL A 35 -0.516 -6.109 -3.565 1.00 0.00 C ATOM 471 O VAL A 35 0.146 -6.215 -4.596 1.00 0.00 O ATOM 472 CB VAL A 35 0.676 -5.568 -1.374 1.00 0.00 C ATOM 473 CG1 VAL A 35 -0.243 -4.353 -1.228 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.072 -6.125 -0.005 1.00 0.00 C ATOM 0 H VAL A 35 1.932 -7.404 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.828 -7.026 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 35 1.586 -5.241 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.245 -3.600 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.452 -3.934 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.178 -4.658 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.534 -5.336 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.184 -6.493 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.781 -6.943 -0.136 1.00 0.00 H new ATOM 484 N GLN A 36 -1.711 -5.541 -3.495 1.00 0.00 N ATOM 485 CA GLN A 36 -2.345 -4.985 -4.678 1.00 0.00 C ATOM 486 C GLN A 36 -2.700 -3.514 -4.448 1.00 0.00 C ATOM 487 O GLN A 36 -3.752 -3.205 -3.890 1.00 0.00 O ATOM 488 CB GLN A 36 -3.585 -5.793 -5.066 1.00 0.00 C ATOM 489 CG GLN A 36 -4.486 -4.995 -6.010 1.00 0.00 C ATOM 490 CD GLN A 36 -5.519 -5.903 -6.680 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.265 -6.534 -7.693 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.696 -5.933 -6.061 1.00 0.00 N ATOM 0 H GLN A 36 -2.257 -5.454 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.639 -5.044 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.282 -6.723 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.142 -6.065 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.995 -4.208 -5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.878 -4.506 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.842 -5.380 -5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.452 -6.509 -6.431 1.00 0.00 H new ATOM 501 N LEU A 37 -1.802 -2.646 -4.890 1.00 0.00 N ATOM 502 CA LEU A 37 -2.007 -1.215 -4.739 1.00 0.00 C ATOM 503 C LEU A 37 -3.215 -0.787 -5.573 1.00 0.00 C ATOM 504 O LEU A 37 -3.235 -0.980 -6.788 1.00 0.00 O ATOM 505 CB LEU A 37 -0.724 -0.452 -5.077 1.00 0.00 C ATOM 506 CG LEU A 37 0.250 -0.232 -3.918 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.043 -1.193 -2.765 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.701 -0.334 -4.395 1.00 0.00 C ATOM 0 H LEU A 37 -0.931 -2.906 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.233 -0.969 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.202 -0.991 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.000 0.521 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 37 0.106 0.779 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.664 -1.015 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.058 -1.029 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.056 -2.221 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.373 -0.174 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.877 -1.324 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.888 0.423 -5.157 1.00 0.00 H new ATOM 520 N THR A 38 -4.194 -0.214 -4.888 1.00 0.00 N ATOM 521 CA THR A 38 -5.403 0.244 -5.551 1.00 0.00 C ATOM 522 C THR A 38 -5.641 1.727 -5.264 1.00 0.00 C ATOM 523 O THR A 38 -5.451 2.183 -4.137 1.00 0.00 O ATOM 524 CB THR A 38 -6.557 -0.655 -5.101 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.152 -1.963 -5.493 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.838 -0.407 -5.901 1.00 0.00 C ATOM 0 H THR A 38 -4.174 -0.057 -3.880 1.00 0.00 H new ATOM 0 HA THR A 38 -5.313 0.166 -6.635 1.00 0.00 H new ATOM 0 HB THR A 38 -6.752 -0.491 -4.041 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.843 -2.610 -5.237 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.625 -1.070 -5.542 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.151 0.629 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.651 -0.604 -6.957 1.00 0.00 H new ATOM 534 N CYS A 39 -6.052 2.440 -6.302 1.00 0.00 N ATOM 535 CA CYS A 39 -6.317 3.863 -6.175 1.00 0.00 C ATOM 536 C CYS A 39 -7.554 4.198 -7.010 1.00 0.00 C ATOM 537 O CYS A 39 -7.458 4.379 -8.223 1.00 0.00 O ATOM 538 CB CYS A 39 -5.106 4.703 -6.587 1.00 0.00 C ATOM 539 SG CYS A 39 -4.503 5.674 -5.157 1.00 0.00 S ATOM 0 H CYS A 39 -6.208 2.059 -7.235 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.508 4.108 -5.130 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.312 4.054 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.378 5.372 -7.403 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.474 6.382 -5.516 1.00 0.00 H new ATOM 545 N ARG A 40 -8.688 4.270 -6.328 1.00 0.00 N ATOM 546 CA ARG A 40 -9.943 4.579 -6.992 1.00 0.00 C ATOM 547 C ARG A 40 -10.277 3.501 -8.025 1.00 0.00 C ATOM 548 O ARG A 40 -10.966 2.530 -7.713 1.00 0.00 O ATOM 549 CB ARG A 40 -9.876 5.940 -7.690 1.00 0.00 C ATOM 550 CG ARG A 40 -10.448 7.042 -6.797 1.00 0.00 C ATOM 551 CD ARG A 40 -9.776 7.038 -5.422 1.00 0.00 C ATOM 552 NE ARG A 40 -10.685 6.444 -4.416 1.00 0.00 N ATOM 553 CZ ARG A 40 -10.289 5.998 -3.216 1.00 0.00 C ATOM 554 NH1 ARG A 40 -8.999 6.076 -2.865 1.00 0.00 N ATOM 555 NH2 ARG A 40 -11.184 5.474 -2.367 1.00 0.00 N ATOM 0 H ARG A 40 -8.764 4.120 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.722 4.611 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.842 6.172 -7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.432 5.900 -8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.304 8.012 -7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.522 6.900 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.846 6.471 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.515 8.056 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.675 6.370 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.318 6.475 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.698 5.737 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.167 5.415 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.883 5.135 -1.454 1.00 0.00 H new ATOM 569 N THR A 41 -9.774 3.707 -9.233 1.00 0.00 N ATOM 570 CA THR A 41 -10.010 2.764 -10.313 1.00 0.00 C ATOM 571 C THR A 41 -8.685 2.204 -10.833 1.00 0.00 C ATOM 572 O THR A 41 -8.668 1.409 -11.771 1.00 0.00 O ATOM 573 CB THR A 41 -10.834 3.474 -11.389 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.052 4.617 -11.726 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.135 4.062 -10.838 1.00 0.00 C ATOM 0 H THR A 41 -9.204 4.513 -9.488 1.00 0.00 H new ATOM 0 HA THR A 41 -10.577 1.900 -9.966 1.00 0.00 H new ATOM 0 HB THR A 41 -11.064 2.773 -12.192 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.512 5.135 -12.420 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.681 4.554 -11.643 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.747 3.263 -10.420 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.905 4.788 -10.059 1.00 0.00 H new ATOM 583 N GLN A 42 -7.606 2.642 -10.200 1.00 0.00 N ATOM 584 CA GLN A 42 -6.279 2.195 -10.587 1.00 0.00 C ATOM 585 C GLN A 42 -5.814 1.058 -9.674 1.00 0.00 C ATOM 586 O GLN A 42 -5.619 1.260 -8.477 1.00 0.00 O ATOM 587 CB GLN A 42 -5.282 3.356 -10.568 1.00 0.00 C ATOM 588 CG GLN A 42 -5.658 4.419 -11.602 1.00 0.00 C ATOM 589 CD GLN A 42 -5.060 5.778 -11.233 1.00 0.00 C ATOM 590 OE1 GLN A 42 -3.952 6.121 -11.611 1.00 0.00 O ATOM 591 NE2 GLN A 42 -5.853 6.531 -10.476 1.00 0.00 N ATOM 0 H GLN A 42 -7.624 3.302 -9.422 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.328 1.818 -11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.258 3.803 -9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.279 2.982 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.302 4.116 -12.587 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.743 4.501 -11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.770 6.183 -10.194 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.545 7.456 -10.177 1.00 0.00 H new ATOM 600 N ASP A 43 -5.651 -0.111 -10.275 1.00 0.00 N ATOM 601 CA ASP A 43 -5.214 -1.280 -9.531 1.00 0.00 C ATOM 602 C ASP A 43 -3.844 -1.724 -10.048 1.00 0.00 C ATOM 603 O ASP A 43 -3.700 -2.068 -11.220 1.00 0.00 O ATOM 604 CB ASP A 43 -6.188 -2.445 -9.713 1.00 0.00 C ATOM 605 CG ASP A 43 -6.942 -2.456 -11.045 1.00 0.00 C ATOM 606 OD1 ASP A 43 -7.678 -1.476 -11.288 1.00 0.00 O ATOM 607 OD2 ASP A 43 -6.765 -3.445 -11.789 1.00 0.00 O ATOM 0 H ASP A 43 -5.814 -0.274 -11.269 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.168 -1.011 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.635 -3.379 -9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.915 -2.421 -8.901 1.00 0.00 H new ATOM 612 N GLN A 44 -2.872 -1.703 -9.147 1.00 0.00 N ATOM 613 CA GLN A 44 -1.519 -2.099 -9.497 1.00 0.00 C ATOM 614 C GLN A 44 -0.941 -3.022 -8.422 1.00 0.00 C ATOM 615 O GLN A 44 -0.891 -2.658 -7.248 1.00 0.00 O ATOM 616 CB GLN A 44 -0.626 -0.875 -9.707 1.00 0.00 C ATOM 617 CG GLN A 44 -0.892 -0.228 -11.067 1.00 0.00 C ATOM 618 CD GLN A 44 -1.531 1.153 -10.902 1.00 0.00 C ATOM 619 OE1 GLN A 44 -2.690 1.370 -11.217 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.714 2.070 -10.393 1.00 0.00 N ATOM 0 H GLN A 44 -2.995 -1.418 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.554 -2.647 -10.438 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.806 -0.149 -8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.421 -1.169 -9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.043 -0.136 -11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.548 -0.868 -11.656 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.245 1.821 -10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.046 3.023 -10.244 1.00 0.00 H new ATOM 629 N LYS A 45 -0.520 -4.199 -8.862 1.00 0.00 N ATOM 630 CA LYS A 45 0.052 -5.176 -7.952 1.00 0.00 C ATOM 631 C LYS A 45 1.571 -5.206 -8.131 1.00 0.00 C ATOM 632 O LYS A 45 2.096 -4.666 -9.104 1.00 0.00 O ATOM 633 CB LYS A 45 -0.616 -6.540 -8.141 1.00 0.00 C ATOM 634 CG LYS A 45 -2.138 -6.424 -8.032 1.00 0.00 C ATOM 635 CD LYS A 45 -2.789 -7.807 -7.962 1.00 0.00 C ATOM 636 CE LYS A 45 -3.402 -8.194 -9.309 1.00 0.00 C ATOM 637 NZ LYS A 45 -3.790 -9.622 -9.311 1.00 0.00 N ATOM 0 H LYS A 45 -0.564 -4.498 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.142 -4.892 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.348 -6.949 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.246 -7.238 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.400 -5.849 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.527 -5.878 -8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.045 -8.549 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.561 -7.811 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.275 -7.574 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.686 -8.004 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.204 -9.868 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.949 -10.210 -9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.489 -9.793 -8.560 1.00 0.00 H new ATOM 651 N SER A 46 2.236 -5.843 -7.178 1.00 0.00 N ATOM 652 CA SER A 46 3.684 -5.950 -7.218 1.00 0.00 C ATOM 653 C SER A 46 4.095 -7.404 -7.457 1.00 0.00 C ATOM 654 O SER A 46 3.314 -8.322 -7.210 1.00 0.00 O ATOM 655 CB SER A 46 4.312 -5.426 -5.925 1.00 0.00 C ATOM 656 OG SER A 46 5.659 -5.006 -6.117 1.00 0.00 O ATOM 0 H SER A 46 1.798 -6.290 -6.373 1.00 0.00 H new ATOM 0 HA SER A 46 4.049 -5.336 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.722 -4.590 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.281 -6.206 -5.165 1.00 0.00 H new ATOM 0 HG SER A 46 6.263 -5.761 -5.957 1.00 0.00 H new ATOM 662 N ASN A 47 5.320 -7.569 -7.934 1.00 0.00 N ATOM 663 CA ASN A 47 5.844 -8.896 -8.209 1.00 0.00 C ATOM 664 C ASN A 47 5.589 -9.800 -7.001 1.00 0.00 C ATOM 665 O ASN A 47 5.563 -9.331 -5.864 1.00 0.00 O ATOM 666 CB ASN A 47 7.353 -8.852 -8.456 1.00 0.00 C ATOM 667 CG ASN A 47 7.697 -7.858 -9.567 1.00 0.00 C ATOM 668 OD1 ASN A 47 7.316 -8.014 -10.715 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.438 -6.830 -9.162 1.00 0.00 N ATOM 0 H ASN A 47 5.965 -6.805 -8.137 1.00 0.00 H new ATOM 0 HA ASN A 47 5.344 -9.278 -9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.867 -8.569 -7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.710 -9.845 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.721 -6.112 -9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.723 -6.760 -8.185 1.00 0.00 H new ATOM 676 N VAL A 48 5.407 -11.081 -7.289 1.00 0.00 N ATOM 677 CA VAL A 48 5.155 -12.055 -6.240 1.00 0.00 C ATOM 678 C VAL A 48 6.458 -12.340 -5.491 1.00 0.00 C ATOM 679 O VAL A 48 7.412 -12.855 -6.072 1.00 0.00 O ATOM 680 CB VAL A 48 4.521 -13.313 -6.836 1.00 0.00 C ATOM 681 CG1 VAL A 48 4.664 -14.502 -5.885 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.053 -13.070 -7.194 1.00 0.00 C ATOM 0 H VAL A 48 5.429 -11.467 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 48 4.443 -11.660 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 48 5.055 -13.554 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.205 -15.383 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.721 -14.697 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.168 -14.275 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.626 -13.980 -7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.501 -12.792 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.985 -12.265 -7.925 1.00 0.00 H new ATOM 692 N ALA A 49 6.457 -11.991 -4.213 1.00 0.00 N ATOM 693 CA ALA A 49 7.628 -12.204 -3.378 1.00 0.00 C ATOM 694 C ALA A 49 7.890 -13.705 -3.248 1.00 0.00 C ATOM 695 O ALA A 49 7.433 -14.339 -2.298 1.00 0.00 O ATOM 696 CB ALA A 49 7.417 -11.528 -2.021 1.00 0.00 C ATOM 0 H ALA A 49 5.664 -11.562 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 49 8.511 -11.754 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.295 -11.687 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.265 -10.459 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.541 -11.956 -1.534 1.00 0.00 H new ATOM 702 N GLU A 50 8.626 -14.231 -4.216 1.00 0.00 N ATOM 703 CA GLU A 50 8.955 -15.646 -4.221 1.00 0.00 C ATOM 704 C GLU A 50 10.076 -15.934 -3.220 1.00 0.00 C ATOM 705 O GLU A 50 11.097 -15.248 -3.211 1.00 0.00 O ATOM 706 CB GLU A 50 9.341 -16.114 -5.626 1.00 0.00 C ATOM 707 CG GLU A 50 8.127 -16.113 -6.557 1.00 0.00 C ATOM 708 CD GLU A 50 8.560 -16.161 -8.023 1.00 0.00 C ATOM 709 OE1 GLU A 50 8.880 -15.077 -8.557 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.562 -17.281 -8.578 1.00 0.00 O ATOM 0 H GLU A 50 9.004 -13.702 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 50 8.070 -16.206 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.115 -15.462 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.764 -17.117 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.492 -16.970 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.529 -15.219 -6.380 1.00 0.00 H new ATOM 717 N GLY A 51 9.848 -16.951 -2.401 1.00 0.00 N ATOM 718 CA GLY A 51 10.826 -17.338 -1.399 1.00 0.00 C ATOM 719 C GLY A 51 11.508 -16.109 -0.794 1.00 0.00 C ATOM 720 O GLY A 51 12.666 -15.826 -1.096 1.00 0.00 O ATOM 0 H GLY A 51 9.000 -17.518 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.337 -17.912 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.575 -17.989 -1.849 1.00 0.00 H new ATOM 724 N MET A 52 10.760 -15.411 0.048 1.00 0.00 N ATOM 725 CA MET A 52 11.278 -14.219 0.697 1.00 0.00 C ATOM 726 C MET A 52 11.367 -14.414 2.212 1.00 0.00 C ATOM 727 O MET A 52 12.254 -13.862 2.862 1.00 0.00 O ATOM 728 CB MET A 52 10.365 -13.031 0.388 1.00 0.00 C ATOM 729 CG MET A 52 11.142 -11.906 -0.299 1.00 0.00 C ATOM 730 SD MET A 52 11.911 -12.517 -1.789 1.00 0.00 S ATOM 731 CE MET A 52 11.096 -11.492 -3.002 1.00 0.00 C ATOM 0 H MET A 52 9.799 -15.648 0.296 1.00 0.00 H new ATOM 0 HA MET A 52 12.281 -14.027 0.315 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.545 -13.355 -0.253 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.921 -12.660 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.470 -11.082 -0.538 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.901 -11.512 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.781 -12.107 -3.845 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.223 -11.019 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.785 -10.723 -3.351 1.00 0.00 H new ATOM 741 N GLY A 53 10.436 -15.201 2.731 1.00 0.00 N ATOM 742 CA GLY A 53 10.398 -15.476 4.157 1.00 0.00 C ATOM 743 C GLY A 53 9.325 -14.634 4.849 1.00 0.00 C ATOM 744 O GLY A 53 8.318 -14.280 4.237 1.00 0.00 O ATOM 0 H GLY A 53 9.702 -15.657 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.197 -16.535 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.372 -15.264 4.598 1.00 0.00 H new ATOM 748 N THR A 54 9.576 -14.338 6.116 1.00 0.00 N ATOM 749 CA THR A 54 8.644 -13.544 6.898 1.00 0.00 C ATOM 750 C THR A 54 8.973 -12.055 6.769 1.00 0.00 C ATOM 751 O THR A 54 8.664 -11.267 7.662 1.00 0.00 O ATOM 752 CB THR A 54 8.685 -14.052 8.340 1.00 0.00 C ATOM 753 OG1 THR A 54 10.053 -14.391 8.551 1.00 0.00 O ATOM 754 CG2 THR A 54 7.941 -15.378 8.515 1.00 0.00 C ATOM 0 H THR A 54 10.412 -14.634 6.620 1.00 0.00 H new ATOM 0 HA THR A 54 7.624 -13.653 6.528 1.00 0.00 H new ATOM 0 HB THR A 54 8.251 -13.302 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.169 -14.728 9.464 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.001 -15.694 9.556 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.896 -15.248 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.396 -16.137 7.879 1.00 0.00 H new ATOM 762 N THR A 55 9.595 -11.714 5.650 1.00 0.00 N ATOM 763 CA THR A 55 9.969 -10.334 5.393 1.00 0.00 C ATOM 764 C THR A 55 10.243 -10.125 3.902 1.00 0.00 C ATOM 765 O THR A 55 11.388 -9.926 3.499 1.00 0.00 O ATOM 766 CB THR A 55 11.166 -9.994 6.284 1.00 0.00 C ATOM 767 OG1 THR A 55 11.911 -11.207 6.342 1.00 0.00 O ATOM 768 CG2 THR A 55 10.760 -9.736 7.736 1.00 0.00 C ATOM 0 H THR A 55 9.849 -12.370 4.911 1.00 0.00 H new ATOM 0 HA THR A 55 9.156 -9.651 5.642 1.00 0.00 H new ATOM 0 HB THR A 55 11.675 -9.115 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.707 -11.076 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.646 -9.499 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.064 -8.898 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.281 -10.626 8.143 1.00 0.00 H new ATOM 776 N PRO A 56 9.144 -10.178 3.103 1.00 0.00 N ATOM 777 CA PRO A 56 9.254 -9.997 1.665 1.00 0.00 C ATOM 778 C PRO A 56 9.480 -8.525 1.314 1.00 0.00 C ATOM 779 O PRO A 56 8.900 -7.638 1.938 1.00 0.00 O ATOM 780 CB PRO A 56 7.957 -10.550 1.098 1.00 0.00 C ATOM 781 CG PRO A 56 6.979 -10.593 2.261 1.00 0.00 C ATOM 782 CD PRO A 56 7.772 -10.412 3.545 1.00 0.00 C ATOM 0 HA PRO A 56 10.112 -10.517 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.581 -9.917 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.107 -11.544 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.231 -9.806 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.443 -11.542 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.395 -9.572 4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.706 -11.296 4.179 1.00 0.00 H new ATOM 790 N GLU A 57 10.325 -8.311 0.316 1.00 0.00 N ATOM 791 CA GLU A 57 10.636 -6.962 -0.126 1.00 0.00 C ATOM 792 C GLU A 57 10.243 -6.781 -1.593 1.00 0.00 C ATOM 793 O GLU A 57 10.444 -7.680 -2.409 1.00 0.00 O ATOM 794 CB GLU A 57 12.116 -6.641 0.090 1.00 0.00 C ATOM 795 CG GLU A 57 12.287 -5.452 1.037 1.00 0.00 C ATOM 796 CD GLU A 57 12.841 -5.903 2.390 1.00 0.00 C ATOM 797 OE1 GLU A 57 12.017 -6.330 3.227 1.00 0.00 O ATOM 798 OE2 GLU A 57 14.076 -5.810 2.556 1.00 0.00 O ATOM 0 H GLU A 57 10.804 -9.050 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 57 10.056 -6.261 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.625 -7.513 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.587 -6.418 -0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.960 -4.721 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.327 -4.956 1.180 1.00 0.00 H new ATOM 805 N TRP A 58 9.692 -5.612 -1.885 1.00 0.00 N ATOM 806 CA TRP A 58 9.270 -5.302 -3.241 1.00 0.00 C ATOM 807 C TRP A 58 10.056 -4.077 -3.712 1.00 0.00 C ATOM 808 O TRP A 58 10.531 -4.038 -4.846 1.00 0.00 O ATOM 809 CB TRP A 58 7.755 -5.103 -3.311 1.00 0.00 C ATOM 810 CG TRP A 58 6.945 -6.305 -2.821 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.555 -7.378 -3.521 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.441 -6.514 -1.485 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.838 -8.260 -2.739 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.767 -7.718 -1.461 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.550 -5.713 -0.335 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.149 -8.228 -0.312 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.928 -6.236 0.805 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.245 -7.447 0.845 1.00 0.00 C ATOM 0 H TRP A 58 9.528 -4.868 -1.206 1.00 0.00 H new ATOM 0 HA TRP A 58 9.486 -6.133 -3.912 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.486 -4.230 -2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.475 -4.885 -4.342 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.774 -7.533 -4.567 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.434 -9.146 -3.043 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.073 -4.768 -0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.627 -9.173 -0.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.982 -5.659 1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.791 -7.783 1.765 1.00 0.00 H new ATOM 829 N ASN A 59 10.170 -3.106 -2.817 1.00 0.00 N ATOM 830 CA ASN A 59 10.890 -1.883 -3.127 1.00 0.00 C ATOM 831 C ASN A 59 10.483 -1.395 -4.518 1.00 0.00 C ATOM 832 O ASN A 59 11.300 -0.836 -5.248 1.00 0.00 O ATOM 833 CB ASN A 59 12.402 -2.121 -3.133 1.00 0.00 C ATOM 834 CG ASN A 59 12.912 -2.446 -1.728 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.636 -1.752 -0.763 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.669 -3.538 -1.667 1.00 0.00 N ATOM 0 H ASN A 59 9.776 -3.142 -1.877 1.00 0.00 H new ATOM 0 HA ASN A 59 10.644 -1.144 -2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.642 -2.941 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.912 -1.235 -3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.057 -3.840 -0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.861 -4.073 -2.514 1.00 0.00 H new ATOM 843 N GLU A 60 9.219 -1.623 -4.844 1.00 0.00 N ATOM 844 CA GLU A 60 8.693 -1.213 -6.134 1.00 0.00 C ATOM 845 C GLU A 60 8.135 0.209 -6.053 1.00 0.00 C ATOM 846 O GLU A 60 8.038 0.781 -4.968 1.00 0.00 O ATOM 847 CB GLU A 60 7.626 -2.193 -6.628 1.00 0.00 C ATOM 848 CG GLU A 60 8.241 -3.261 -7.534 1.00 0.00 C ATOM 849 CD GLU A 60 8.971 -2.623 -8.718 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.288 -2.363 -9.732 1.00 0.00 O ATOM 851 OE2 GLU A 60 10.195 -2.409 -8.582 1.00 0.00 O ATOM 0 H GLU A 60 8.544 -2.087 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 60 9.510 -1.221 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.142 -2.669 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.853 -1.651 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.937 -3.873 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.459 -3.926 -7.900 1.00 0.00 H new ATOM 858 N THR A 61 7.781 0.740 -7.215 1.00 0.00 N ATOM 859 CA THR A 61 7.235 2.084 -7.288 1.00 0.00 C ATOM 860 C THR A 61 6.008 2.112 -8.202 1.00 0.00 C ATOM 861 O THR A 61 6.080 1.693 -9.356 1.00 0.00 O ATOM 862 CB THR A 61 8.353 3.024 -7.743 1.00 0.00 C ATOM 863 OG1 THR A 61 9.151 3.206 -6.576 1.00 0.00 O ATOM 864 CG2 THR A 61 7.842 4.429 -8.067 1.00 0.00 C ATOM 0 H THR A 61 7.862 0.263 -8.113 1.00 0.00 H new ATOM 0 HA THR A 61 6.883 2.422 -6.313 1.00 0.00 H new ATOM 0 HB THR A 61 8.844 2.605 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.901 3.802 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.676 5.055 -8.385 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.105 4.372 -8.868 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.381 4.862 -7.179 1.00 0.00 H new ATOM 872 N PHE A 62 4.912 2.612 -7.651 1.00 0.00 N ATOM 873 CA PHE A 62 3.671 2.700 -8.402 1.00 0.00 C ATOM 874 C PHE A 62 3.118 4.127 -8.382 1.00 0.00 C ATOM 875 O PHE A 62 2.942 4.713 -7.315 1.00 0.00 O ATOM 876 CB PHE A 62 2.668 1.768 -7.720 1.00 0.00 C ATOM 877 CG PHE A 62 3.182 0.341 -7.519 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.995 -0.593 -8.490 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.826 0.006 -6.368 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.472 -1.917 -8.303 1.00 0.00 C ATOM 881 CE2 PHE A 62 4.303 -1.318 -6.181 1.00 0.00 C ATOM 882 CZ PHE A 62 4.116 -2.252 -7.153 1.00 0.00 C ATOM 0 H PHE A 62 4.857 2.960 -6.694 1.00 0.00 H new ATOM 0 HA PHE A 62 3.845 2.420 -9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.400 2.187 -6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.756 1.734 -8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.484 -0.327 -9.403 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.974 0.747 -5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.323 -2.658 -9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.814 -1.584 -5.268 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.479 -3.259 -7.011 1.00 0.00 H new ATOM 892 N ILE A 63 2.861 4.644 -9.574 1.00 0.00 N ATOM 893 CA ILE A 63 2.332 5.991 -9.707 1.00 0.00 C ATOM 894 C ILE A 63 0.814 5.923 -9.886 1.00 0.00 C ATOM 895 O ILE A 63 0.302 5.011 -10.533 1.00 0.00 O ATOM 896 CB ILE A 63 3.050 6.740 -10.831 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.528 6.348 -10.895 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.864 8.252 -10.689 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.327 7.041 -9.789 1.00 0.00 C ATOM 0 H ILE A 63 3.009 4.155 -10.457 1.00 0.00 H new ATOM 0 HA ILE A 63 2.521 6.565 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 63 2.598 6.448 -11.779 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.626 5.267 -10.797 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.938 6.618 -11.868 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.384 8.760 -11.501 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.802 8.494 -10.731 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.273 8.581 -9.734 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.374 6.745 -9.857 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.247 8.122 -9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.930 6.750 -8.816 1.00 0.00 H new ATOM 911 N PHE A 64 0.136 6.899 -9.300 1.00 0.00 N ATOM 912 CA PHE A 64 -1.313 6.961 -9.386 1.00 0.00 C ATOM 913 C PHE A 64 -1.785 8.393 -9.647 1.00 0.00 C ATOM 914 O PHE A 64 -1.251 9.341 -9.074 1.00 0.00 O ATOM 915 CB PHE A 64 -1.862 6.493 -8.037 1.00 0.00 C ATOM 916 CG PHE A 64 -1.888 4.973 -7.869 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.615 4.207 -8.726 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.184 4.387 -6.864 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.639 2.795 -8.571 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.209 2.976 -6.708 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.936 2.210 -7.565 1.00 0.00 C ATOM 0 H PHE A 64 0.564 7.654 -8.763 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.664 6.336 -10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.257 6.926 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.874 6.879 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.174 4.672 -9.524 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.606 4.995 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.215 2.187 -9.252 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.651 2.511 -5.909 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.955 1.137 -7.446 1.00 0.00 H new ATOM 931 N THR A 65 -2.783 8.505 -10.512 1.00 0.00 N ATOM 932 CA THR A 65 -3.333 9.805 -10.855 1.00 0.00 C ATOM 933 C THR A 65 -4.195 10.338 -9.710 1.00 0.00 C ATOM 934 O THR A 65 -5.271 9.808 -9.438 1.00 0.00 O ATOM 935 CB THR A 65 -4.096 9.661 -12.174 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.077 9.690 -13.169 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.958 10.886 -12.488 1.00 0.00 C ATOM 0 H THR A 65 -3.225 7.717 -10.985 1.00 0.00 H new ATOM 0 HA THR A 65 -2.544 10.544 -10.997 1.00 0.00 H new ATOM 0 HB THR A 65 -4.727 8.773 -12.133 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.483 9.601 -14.056 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.478 10.732 -13.434 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.688 11.031 -11.692 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.323 11.769 -12.562 1.00 0.00 H new ATOM 945 N VAL A 66 -3.690 11.382 -9.068 1.00 0.00 N ATOM 946 CA VAL A 66 -4.401 11.993 -7.957 1.00 0.00 C ATOM 947 C VAL A 66 -5.197 13.196 -8.467 1.00 0.00 C ATOM 948 O VAL A 66 -4.784 13.860 -9.417 1.00 0.00 O ATOM 949 CB VAL A 66 -3.417 12.356 -6.843 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.155 12.881 -5.610 1.00 0.00 C ATOM 951 CG2 VAL A 66 -2.530 11.162 -6.484 1.00 0.00 C ATOM 0 H VAL A 66 -2.797 11.820 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.114 11.290 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.772 13.153 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.433 13.132 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.724 13.772 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.835 12.114 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.840 11.447 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.153 10.335 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.964 10.852 -7.362 1.00 0.00 H new ATOM 961 N SER A 67 -6.323 13.439 -7.814 1.00 0.00 N ATOM 962 CA SER A 67 -7.181 14.551 -8.189 1.00 0.00 C ATOM 963 C SER A 67 -8.321 14.696 -7.180 1.00 0.00 C ATOM 964 O SER A 67 -8.327 15.626 -6.374 1.00 0.00 O ATOM 965 CB SER A 67 -7.742 14.362 -9.600 1.00 0.00 C ATOM 966 OG SER A 67 -7.295 15.378 -10.493 1.00 0.00 O ATOM 0 H SER A 67 -6.662 12.885 -7.027 1.00 0.00 H new ATOM 0 HA SER A 67 -6.582 15.462 -8.184 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.442 13.386 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.831 14.368 -9.561 1.00 0.00 H new ATOM 0 HG SER A 67 -7.674 15.221 -11.383 1.00 0.00 H new ATOM 972 N GLU A 68 -9.259 13.763 -7.256 1.00 0.00 N ATOM 973 CA GLU A 68 -10.401 13.775 -6.358 1.00 0.00 C ATOM 974 C GLU A 68 -10.752 12.350 -5.926 1.00 0.00 C ATOM 975 O GLU A 68 -10.703 11.423 -6.733 1.00 0.00 O ATOM 976 CB GLU A 68 -11.603 14.462 -7.011 1.00 0.00 C ATOM 977 CG GLU A 68 -12.112 13.656 -8.207 1.00 0.00 C ATOM 978 CD GLU A 68 -12.929 14.538 -9.155 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.947 15.088 -8.682 1.00 0.00 O ATOM 980 OE2 GLU A 68 -12.516 14.641 -10.330 1.00 0.00 O ATOM 0 H GLU A 68 -9.251 12.994 -7.926 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.135 14.347 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.402 14.577 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.322 15.464 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.268 13.223 -8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.726 12.827 -7.856 1.00 0.00 H new ATOM 987 N GLY A 69 -11.099 12.220 -4.654 1.00 0.00 N ATOM 988 CA GLY A 69 -11.459 10.924 -4.105 1.00 0.00 C ATOM 989 C GLY A 69 -10.231 10.212 -3.532 1.00 0.00 C ATOM 990 O GLY A 69 -10.278 9.684 -2.422 1.00 0.00 O ATOM 0 H GLY A 69 -11.138 12.991 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.208 11.051 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.911 10.308 -4.883 1.00 0.00 H new ATOM 994 N THR A 70 -9.162 10.222 -4.314 1.00 0.00 N ATOM 995 CA THR A 70 -7.925 9.584 -3.898 1.00 0.00 C ATOM 996 C THR A 70 -7.358 10.278 -2.658 1.00 0.00 C ATOM 997 O THR A 70 -6.506 11.158 -2.769 1.00 0.00 O ATOM 998 CB THR A 70 -6.965 9.592 -5.090 1.00 0.00 C ATOM 999 OG1 THR A 70 -7.795 9.280 -6.206 1.00 0.00 O ATOM 1000 CG2 THR A 70 -5.960 8.439 -5.040 1.00 0.00 C ATOM 0 H THR A 70 -9.127 10.662 -5.234 1.00 0.00 H new ATOM 0 HA THR A 70 -8.094 8.548 -3.604 1.00 0.00 H new ATOM 0 HB THR A 70 -6.429 10.540 -5.118 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.253 9.266 -7.023 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.303 8.491 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.365 8.514 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.495 7.489 -5.047 1.00 0.00 H new ATOM 1008 N THR A 71 -7.853 9.854 -1.504 1.00 0.00 N ATOM 1009 CA THR A 71 -7.407 10.424 -0.244 1.00 0.00 C ATOM 1010 C THR A 71 -6.606 9.392 0.553 1.00 0.00 C ATOM 1011 O THR A 71 -5.894 9.745 1.492 1.00 0.00 O ATOM 1012 CB THR A 71 -8.637 10.945 0.501 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.644 9.973 0.232 1.00 0.00 O ATOM 1014 CG2 THR A 71 -9.190 12.234 -0.111 1.00 0.00 C ATOM 0 H THR A 71 -8.558 9.123 -1.415 1.00 0.00 H new ATOM 0 HA THR A 71 -6.729 11.262 -0.406 1.00 0.00 H new ATOM 0 HB THR A 71 -8.381 11.120 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.489 9.180 0.786 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.062 12.561 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.425 13.010 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.478 12.051 -1.146 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.747 8.139 0.148 1.00 0.00 N ATOM 1023 CA GLU A 72 -6.045 7.054 0.812 1.00 0.00 C ATOM 1024 C GLU A 72 -5.798 5.904 -0.166 1.00 0.00 C ATOM 1025 O GLU A 72 -6.429 5.834 -1.220 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.819 6.572 2.041 1.00 0.00 C ATOM 1027 CG GLU A 72 -8.067 5.788 1.631 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.334 6.615 1.859 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.657 7.419 0.958 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.950 6.425 2.929 1.00 0.00 O ATOM 0 H GLU A 72 -7.337 7.851 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.080 7.427 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.176 5.943 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.107 7.427 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.996 5.508 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.124 4.863 2.204 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.879 5.030 0.218 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.540 3.887 -0.613 1.00 0.00 C ATOM 1039 C LEU A 73 -4.885 2.598 0.137 1.00 0.00 C ATOM 1040 O LEU A 73 -4.762 2.534 1.359 1.00 0.00 O ATOM 1041 CB LEU A 73 -3.080 3.964 -1.062 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.580 2.801 -1.921 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -3.048 2.949 -3.370 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -1.059 2.660 -1.822 1.00 0.00 C ATOM 0 H LEU A 73 -4.359 5.090 1.093 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.131 3.893 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.941 4.889 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.451 4.031 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.015 1.879 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.679 2.109 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.137 2.963 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.661 3.880 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.730 1.826 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.585 3.579 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.777 2.475 -0.785 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.311 1.603 -0.628 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.675 0.320 -0.051 1.00 0.00 C ATOM 1058 C LYS A 74 -4.628 -0.725 -0.442 1.00 0.00 C ATOM 1059 O LYS A 74 -4.382 -0.950 -1.626 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.102 -0.061 -0.450 1.00 0.00 C ATOM 1061 CG LYS A 74 -8.106 0.388 0.614 1.00 0.00 C ATOM 1062 CD LYS A 74 -8.028 1.899 0.838 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.411 2.543 0.719 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.690 2.916 -0.685 1.00 0.00 N ATOM 0 H LYS A 74 -5.412 1.660 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.677 0.378 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.351 0.398 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.170 -1.140 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.115 0.114 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.906 -0.133 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.612 2.103 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.352 2.344 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.173 1.850 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.462 3.428 1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.658 3.289 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.014 3.644 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.595 2.077 -1.293 1.00 0.00 H new ATOM 1078 N ALA A 75 -4.038 -1.336 0.576 1.00 0.00 N ATOM 1079 CA ALA A 75 -3.023 -2.351 0.353 1.00 0.00 C ATOM 1080 C ALA A 75 -3.463 -3.659 1.014 1.00 0.00 C ATOM 1081 O ALA A 75 -3.362 -3.808 2.231 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.678 -1.853 0.884 1.00 0.00 C ATOM 0 H ALA A 75 -4.244 -1.147 1.557 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.901 -2.545 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.916 -2.615 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.397 -0.938 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.761 -1.651 1.952 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.943 -4.573 0.183 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.398 -5.863 0.672 1.00 0.00 C ATOM 1090 C LYS A 76 -3.345 -6.926 0.352 1.00 0.00 C ATOM 1091 O LYS A 76 -2.773 -6.929 -0.737 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.787 -6.187 0.117 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.879 -5.488 0.930 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.241 -6.144 0.695 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.212 -5.814 1.831 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.581 -4.381 1.796 1.00 0.00 N ATOM 0 H LYS A 76 -4.027 -4.445 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.510 -5.841 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.848 -5.874 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.948 -7.265 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.630 -5.528 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.926 -4.435 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.655 -5.801 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.120 -7.224 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.108 -6.429 1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.754 -6.055 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.253 -4.177 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.728 -3.800 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.022 -4.158 0.881 1.00 0.00 H new ATOM 1110 N ILE A 77 -3.122 -7.802 1.320 1.00 0.00 N ATOM 1111 CA ILE A 77 -2.147 -8.868 1.155 1.00 0.00 C ATOM 1112 C ILE A 77 -2.877 -10.176 0.842 1.00 0.00 C ATOM 1113 O ILE A 77 -3.687 -10.645 1.639 1.00 0.00 O ATOM 1114 CB ILE A 77 -1.232 -8.951 2.379 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.487 -7.633 2.597 1.00 0.00 C ATOM 1116 CG2 ILE A 77 -0.275 -10.139 2.267 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.231 -6.741 3.593 1.00 0.00 C ATOM 0 H ILE A 77 -3.599 -7.796 2.221 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.491 -8.658 0.310 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.852 -9.119 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.518 -7.836 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.378 -7.111 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.364 -10.176 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.849 -11.063 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.342 -10.026 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.680 -5.810 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.227 -6.520 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.316 -7.256 4.550 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.562 -10.728 -0.321 1.00 0.00 N ATOM 1130 CA PHE A 78 -3.177 -11.972 -0.749 1.00 0.00 C ATOM 1131 C PHE A 78 -2.115 -13.015 -1.104 1.00 0.00 C ATOM 1132 O PHE A 78 -0.934 -12.691 -1.213 1.00 0.00 O ATOM 1133 CB PHE A 78 -4.003 -11.657 -1.998 1.00 0.00 C ATOM 1134 CG PHE A 78 -5.080 -10.593 -1.779 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -6.266 -10.933 -1.206 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.853 -9.307 -2.158 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -7.266 -9.946 -1.003 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.853 -8.319 -1.955 1.00 0.00 C ATOM 1139 CZ PHE A 78 -7.038 -8.660 -1.382 1.00 0.00 C ATOM 0 H PHE A 78 -1.889 -10.336 -0.980 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.793 -12.378 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.333 -11.323 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.478 -12.574 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.447 -11.954 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.912 -9.037 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.207 -10.216 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.672 -7.298 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.799 -7.909 -1.228 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.575 -14.246 -1.274 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.679 -15.339 -1.614 1.00 0.00 C ATOM 1151 C ASP A 79 -1.644 -15.509 -3.134 1.00 0.00 C ATOM 1152 O ASP A 79 -2.685 -15.485 -3.789 1.00 0.00 O ATOM 1153 CB ASP A 79 -2.159 -16.656 -1.002 1.00 0.00 C ATOM 1154 CG ASP A 79 -1.313 -17.880 -1.356 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -0.366 -17.704 -2.153 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.633 -18.964 -0.823 1.00 0.00 O ATOM 0 H ASP A 79 -3.556 -14.511 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.691 -15.099 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.180 -16.549 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.185 -16.836 -1.324 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.436 -15.678 -3.651 1.00 0.00 N ATOM 1162 CA LYS A 80 -0.252 -15.852 -5.082 1.00 0.00 C ATOM 1163 C LYS A 80 -1.208 -16.934 -5.587 1.00 0.00 C ATOM 1164 O LYS A 80 -1.514 -16.992 -6.777 1.00 0.00 O ATOM 1165 CB LYS A 80 1.218 -16.132 -5.403 1.00 0.00 C ATOM 1166 CG LYS A 80 1.718 -17.366 -4.649 1.00 0.00 C ATOM 1167 CD LYS A 80 2.931 -17.982 -5.350 1.00 0.00 C ATOM 1168 CE LYS A 80 2.494 -18.968 -6.435 1.00 0.00 C ATOM 1169 NZ LYS A 80 3.667 -19.676 -6.995 1.00 0.00 N ATOM 0 H LYS A 80 0.425 -15.698 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.501 -14.933 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.337 -16.284 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.824 -15.267 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.984 -17.090 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.919 -18.104 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.539 -17.193 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.557 -18.494 -4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.792 -19.689 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.970 -18.436 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.353 -20.341 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.323 -18.985 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.150 -20.200 -6.238 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.655 -17.765 -4.656 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.571 -18.842 -4.992 1.00 0.00 C ATOM 1185 C ASP A 81 -3.993 -18.287 -5.082 1.00 0.00 C ATOM 1186 O ASP A 81 -4.794 -18.749 -5.893 1.00 0.00 O ATOM 1187 CB ASP A 81 -2.556 -19.933 -3.919 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.922 -21.333 -4.414 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -3.009 -21.493 -5.651 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -3.106 -22.212 -3.545 1.00 0.00 O ATOM 0 H ASP A 81 -1.400 -17.714 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.255 -19.268 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.562 -19.970 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.250 -19.652 -3.127 1.00 0.00 H new ATOM 1195 N VAL A 82 -4.265 -17.303 -4.237 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.577 -16.680 -4.211 1.00 0.00 C ATOM 1197 C VAL A 82 -5.561 -15.430 -5.094 1.00 0.00 C ATOM 1198 O VAL A 82 -4.612 -15.208 -5.845 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.988 -16.386 -2.767 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -5.503 -17.489 -1.824 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -5.476 -15.016 -2.319 1.00 0.00 C ATOM 0 H VAL A 82 -3.599 -16.922 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.329 -17.356 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.077 -16.365 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.808 -17.256 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.939 -18.442 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.416 -17.556 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.782 -14.832 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.388 -14.995 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.892 -14.243 -2.965 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.623 -14.647 -4.975 1.00 0.00 N ATOM 1212 CA GLY A 83 -6.743 -13.425 -5.753 1.00 0.00 C ATOM 1213 C GLY A 83 -7.301 -12.284 -4.900 1.00 0.00 C ATOM 1214 O GLY A 83 -8.135 -12.510 -4.024 1.00 0.00 O ATOM 0 H GLY A 83 -7.408 -14.835 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.767 -13.144 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.396 -13.597 -6.609 1.00 0.00 H new ATOM 1218 N THR A 84 -6.819 -11.084 -5.185 1.00 0.00 N ATOM 1219 CA THR A 84 -7.259 -9.907 -4.455 1.00 0.00 C ATOM 1220 C THR A 84 -8.741 -10.028 -4.094 1.00 0.00 C ATOM 1221 O THR A 84 -9.166 -9.563 -3.037 1.00 0.00 O ATOM 1222 CB THR A 84 -6.939 -8.676 -5.305 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.606 -8.923 -6.539 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.460 -8.599 -5.690 1.00 0.00 C ATOM 0 H THR A 84 -6.127 -10.901 -5.912 1.00 0.00 H new ATOM 0 HA THR A 84 -6.732 -9.810 -3.506 1.00 0.00 H new ATOM 0 HB THR A 84 -7.220 -7.775 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.212 -8.364 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.287 -7.707 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.851 -8.551 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.187 -9.484 -6.265 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.487 -10.654 -4.992 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.912 -10.841 -4.782 1.00 0.00 C ATOM 1234 C GLU A 85 -11.193 -12.258 -4.276 1.00 0.00 C ATOM 1235 O GLU A 85 -11.753 -13.080 -5.001 1.00 0.00 O ATOM 1236 CB GLU A 85 -11.699 -10.550 -6.061 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.492 -9.103 -6.514 1.00 0.00 C ATOM 1238 CD GLU A 85 -11.764 -8.953 -8.012 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -12.960 -8.868 -8.366 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -10.771 -8.928 -8.770 1.00 0.00 O ATOM 0 H GLU A 85 -9.131 -11.038 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.243 -10.132 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.382 -11.231 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.760 -10.733 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.155 -8.444 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.471 -8.792 -6.293 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.791 -12.501 -3.037 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.992 -13.804 -2.427 1.00 0.00 C ATOM 1249 C ASP A 86 -10.776 -13.693 -0.916 1.00 0.00 C ATOM 1250 O ASP A 86 -11.729 -13.768 -0.142 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.995 -14.828 -2.974 1.00 0.00 C ATOM 1252 CG ASP A 86 -10.625 -16.075 -3.596 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -11.581 -15.896 -4.382 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -10.137 -17.179 -3.273 1.00 0.00 O ATOM 0 H ASP A 86 -10.327 -11.817 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.006 -14.131 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.372 -14.341 -3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.335 -15.138 -2.164 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.517 -13.517 -0.542 1.00 0.00 N ATOM 1260 CA ASP A 87 -9.164 -13.395 0.862 1.00 0.00 C ATOM 1261 C ASP A 87 -7.704 -12.950 0.979 1.00 0.00 C ATOM 1262 O ASP A 87 -6.804 -13.626 0.485 1.00 0.00 O ATOM 1263 CB ASP A 87 -9.308 -14.736 1.584 1.00 0.00 C ATOM 1264 CG ASP A 87 -8.450 -14.889 2.841 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -7.278 -15.294 2.683 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -8.985 -14.598 3.933 1.00 0.00 O ATOM 0 H ASP A 87 -8.729 -13.456 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.835 -12.666 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.354 -14.874 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.052 -15.535 0.888 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.517 -11.815 1.637 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.183 -11.272 1.826 1.00 0.00 C ATOM 1273 C ALA A 88 -5.717 -11.558 3.255 1.00 0.00 C ATOM 1274 O ALA A 88 -6.389 -11.188 4.216 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.190 -9.776 1.504 1.00 0.00 C ATOM 0 H ALA A 88 -8.267 -11.257 2.046 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.476 -11.749 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.189 -9.369 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.499 -9.628 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.887 -9.264 2.167 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.571 -12.215 3.349 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.008 -12.556 4.645 1.00 0.00 C ATOM 1283 C VAL A 89 -4.136 -11.354 5.583 1.00 0.00 C ATOM 1284 O VAL A 89 -4.220 -11.518 6.799 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.564 -13.033 4.479 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.508 -14.547 4.262 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.868 -12.290 3.337 1.00 0.00 C ATOM 0 H VAL A 89 -4.017 -12.521 2.549 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.559 -13.381 5.096 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.029 -12.806 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.470 -14.860 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.947 -15.054 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.067 -14.807 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.843 -12.648 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.404 -12.470 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.860 -11.221 3.550 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.147 -10.173 4.983 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.264 -8.945 5.750 1.00 0.00 C ATOM 1299 C GLY A 90 -4.370 -7.730 4.826 1.00 0.00 C ATOM 1300 O GLY A 90 -4.366 -7.872 3.604 1.00 0.00 O ATOM 0 H GLY A 90 -4.077 -10.041 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.143 -8.996 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.398 -8.836 6.403 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.463 -6.562 5.446 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.571 -5.323 4.694 1.00 0.00 C ATOM 1306 C GLU A 91 -4.028 -4.154 5.518 1.00 0.00 C ATOM 1307 O GLU A 91 -3.717 -4.313 6.698 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.017 -5.066 4.264 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.848 -4.530 5.431 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.375 -3.125 5.128 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.526 -2.221 4.976 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -8.616 -2.988 5.056 1.00 0.00 O ATOM 0 H GLU A 91 -4.466 -6.448 6.460 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.969 -5.416 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.034 -4.351 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.459 -5.990 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.684 -5.202 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.240 -4.507 6.335 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.931 -3.005 4.865 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.431 -1.810 5.522 1.00 0.00 C ATOM 1321 C ALA A 92 -3.960 -0.573 4.793 1.00 0.00 C ATOM 1322 O ALA A 92 -3.999 -0.542 3.564 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.902 -1.852 5.565 1.00 0.00 C ATOM 0 H ALA A 92 -4.191 -2.877 3.887 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.785 -1.762 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.527 -0.955 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.578 -2.733 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.511 -1.898 4.549 1.00 0.00 H new ATOM 1329 N THR A 93 -4.355 0.416 5.582 1.00 0.00 N ATOM 1330 CA THR A 93 -4.880 1.652 5.027 1.00 0.00 C ATOM 1331 C THR A 93 -3.796 2.731 5.010 1.00 0.00 C ATOM 1332 O THR A 93 -3.343 3.178 6.062 1.00 0.00 O ATOM 1333 CB THR A 93 -6.117 2.046 5.837 1.00 0.00 C ATOM 1334 OG1 THR A 93 -7.105 1.096 5.446 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.700 3.391 5.399 1.00 0.00 C ATOM 0 H THR A 93 -4.322 0.386 6.601 1.00 0.00 H new ATOM 0 HA THR A 93 -5.182 1.522 3.988 1.00 0.00 H new ATOM 0 HB THR A 93 -5.859 2.090 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.940 1.277 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.576 3.623 6.005 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.951 4.172 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.989 3.338 4.349 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.412 3.119 3.802 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.390 4.138 3.634 1.00 0.00 C ATOM 1345 C ILE A 94 -3.045 5.440 3.168 1.00 0.00 C ATOM 1346 O ILE A 94 -3.392 5.580 1.996 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.284 3.639 2.702 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.599 2.398 3.279 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.283 4.754 2.391 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.592 1.253 2.264 1.00 0.00 C ATOM 0 H ILE A 94 -3.790 2.746 2.931 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.903 4.349 4.586 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.741 3.345 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.424 2.643 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.115 2.082 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.492 4.372 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.800 5.582 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.173 5.103 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.099 0.384 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.617 0.995 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.054 1.564 1.368 1.00 0.00 H new ATOM 1362 N PRO A 95 -3.199 6.384 4.135 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.806 7.669 3.836 1.00 0.00 C ATOM 1364 C PRO A 95 -2.837 8.568 3.065 1.00 0.00 C ATOM 1365 O PRO A 95 -1.653 8.631 3.389 1.00 0.00 O ATOM 1366 CB PRO A 95 -4.200 8.242 5.188 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.385 7.477 6.218 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.800 6.253 5.533 1.00 0.00 C ATOM 0 HA PRO A 95 -4.677 7.582 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.987 9.310 5.237 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.268 8.121 5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.591 8.106 6.620 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.013 7.181 7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.715 6.223 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.186 5.332 5.970 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.377 9.239 2.058 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.575 10.131 1.238 1.00 0.00 C ATOM 1378 C LEU A 96 -2.752 11.569 1.732 1.00 0.00 C ATOM 1379 O LEU A 96 -2.322 12.513 1.072 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.910 9.944 -0.242 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.902 8.503 -0.755 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.598 8.400 -2.114 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.478 7.944 -0.797 1.00 0.00 C ATOM 0 H LEU A 96 -4.360 9.183 1.791 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.517 9.888 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.896 10.369 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.198 10.522 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.469 7.889 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.578 7.365 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.632 8.731 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.080 9.031 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.500 6.918 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.867 8.555 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.051 7.960 0.206 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.386 11.689 2.889 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.626 12.995 3.479 1.00 0.00 C ATOM 1397 C GLU A 97 -2.305 13.629 3.920 1.00 0.00 C ATOM 1398 O GLU A 97 -2.111 14.835 3.775 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.605 12.897 4.651 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.719 13.937 4.523 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.578 13.978 5.789 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.980 14.133 6.876 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.813 13.853 5.641 1.00 0.00 O ATOM 0 H GLU A 97 -3.741 10.903 3.434 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.080 13.635 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.038 11.897 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.070 13.045 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.285 14.920 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.345 13.701 3.662 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.406 12.764 4.463 1.00 0.00 N ATOM 1411 CA PRO A 98 -0.109 13.227 4.926 1.00 0.00 C ATOM 1412 C PRO A 98 0.825 13.511 3.748 1.00 0.00 C ATOM 1413 O PRO A 98 1.750 14.313 3.864 1.00 0.00 O ATOM 1414 CB PRO A 98 0.402 12.120 5.835 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.409 10.884 5.483 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.600 11.330 4.651 1.00 0.00 C ATOM 0 HA PRO A 98 -0.168 14.172 5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.467 11.946 5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.273 12.386 6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.201 10.173 4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.744 10.377 6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.634 10.807 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.540 11.121 5.162 1.00 0.00 H new ATOM 1424 N VAL A 99 0.550 12.837 2.641 1.00 0.00 N ATOM 1425 CA VAL A 99 1.353 13.007 1.442 1.00 0.00 C ATOM 1426 C VAL A 99 0.838 14.214 0.655 1.00 0.00 C ATOM 1427 O VAL A 99 1.451 14.625 -0.329 1.00 0.00 O ATOM 1428 CB VAL A 99 1.351 11.715 0.623 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.222 11.721 -0.409 1.00 0.00 C ATOM 1430 CG2 VAL A 99 2.707 11.490 -0.049 1.00 0.00 C ATOM 0 H VAL A 99 -0.218 12.172 2.549 1.00 0.00 H new ATOM 0 HA VAL A 99 2.392 13.209 1.704 1.00 0.00 H new ATOM 0 HB VAL A 99 1.174 10.885 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.244 10.791 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.737 11.812 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.354 12.564 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.679 10.565 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.926 12.325 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.483 11.419 0.713 1.00 0.00 H new ATOM 1440 N PHE A 100 -0.282 14.749 1.119 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.886 15.900 0.470 1.00 0.00 C ATOM 1442 C PHE A 100 -0.482 17.198 1.172 1.00 0.00 C ATOM 1443 O PHE A 100 -0.378 18.246 0.535 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.402 15.728 0.575 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.962 14.602 -0.297 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -2.144 13.935 -1.154 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -4.278 14.269 -0.214 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.664 12.890 -1.963 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.798 13.224 -1.023 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.980 12.556 -1.880 1.00 0.00 C ATOM 0 H PHE A 100 -0.787 14.407 1.937 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.555 15.960 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.664 15.533 1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.884 16.665 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.099 14.200 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.927 14.799 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.014 12.360 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.843 12.960 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.375 11.761 -2.494 1.00 0.00 H new ATOM 1460 N VAL A 101 -0.266 17.087 2.474 1.00 0.00 N ATOM 1461 CA VAL A 101 0.124 18.239 3.269 1.00 0.00 C ATOM 1462 C VAL A 101 1.650 18.299 3.359 1.00 0.00 C ATOM 1463 O VAL A 101 2.229 19.381 3.443 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.554 18.183 4.640 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -2.026 17.786 4.508 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.188 17.231 5.580 1.00 0.00 C ATOM 0 H VAL A 101 -0.354 16.217 2.999 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.210 19.161 2.793 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.514 19.182 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.484 17.754 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.546 18.518 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.097 16.803 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.314 17.210 6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.194 16.229 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.214 17.576 5.711 1.00 0.00 H new ATOM 1476 N GLU A 102 2.259 17.122 3.339 1.00 0.00 N ATOM 1477 CA GLU A 102 3.706 17.026 3.417 1.00 0.00 C ATOM 1478 C GLU A 102 4.317 17.056 2.015 1.00 0.00 C ATOM 1479 O GLU A 102 5.421 17.563 1.825 1.00 0.00 O ATOM 1480 CB GLU A 102 4.132 15.767 4.174 1.00 0.00 C ATOM 1481 CG GLU A 102 3.502 15.725 5.568 1.00 0.00 C ATOM 1482 CD GLU A 102 4.474 16.254 6.625 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.552 15.637 6.764 1.00 0.00 O ATOM 1484 OE2 GLU A 102 4.116 17.263 7.270 1.00 0.00 O ATOM 0 H GLU A 102 1.776 16.226 3.270 1.00 0.00 H new ATOM 0 HA GLU A 102 4.078 17.887 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.836 14.882 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.218 15.741 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.590 16.321 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.216 14.702 5.811 1.00 0.00 H new ATOM 1491 N GLY A 103 3.571 16.506 1.068 1.00 0.00 N ATOM 1492 CA GLY A 103 4.025 16.463 -0.312 1.00 0.00 C ATOM 1493 C GLY A 103 4.936 15.258 -0.552 1.00 0.00 C ATOM 1494 O GLY A 103 5.251 14.931 -1.695 1.00 0.00 O ATOM 0 H GLY A 103 2.655 16.086 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.165 16.412 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.561 17.382 -0.551 1.00 0.00 H new ATOM 1498 N SER A 104 5.333 14.629 0.544 1.00 0.00 N ATOM 1499 CA SER A 104 6.202 13.467 0.467 1.00 0.00 C ATOM 1500 C SER A 104 6.229 12.743 1.815 1.00 0.00 C ATOM 1501 O SER A 104 6.447 13.366 2.854 1.00 0.00 O ATOM 1502 CB SER A 104 7.619 13.865 0.050 1.00 0.00 C ATOM 1503 OG SER A 104 8.257 14.675 1.033 1.00 0.00 O ATOM 0 H SER A 104 5.069 14.902 1.491 1.00 0.00 H new ATOM 0 HA SER A 104 5.805 12.793 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.212 12.967 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.580 14.406 -0.896 1.00 0.00 H new ATOM 0 HG SER A 104 9.160 14.907 0.730 1.00 0.00 H new ATOM 1509 N ILE A 105 6.004 11.439 1.756 1.00 0.00 N ATOM 1510 CA ILE A 105 6.001 10.625 2.959 1.00 0.00 C ATOM 1511 C ILE A 105 7.061 9.529 2.832 1.00 0.00 C ATOM 1512 O ILE A 105 7.167 8.881 1.792 1.00 0.00 O ATOM 1513 CB ILE A 105 4.595 10.090 3.240 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.590 11.236 3.377 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.591 9.174 4.465 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.033 12.227 4.455 1.00 0.00 C ATOM 0 H ILE A 105 5.822 10.926 0.893 1.00 0.00 H new ATOM 0 HA ILE A 105 6.268 11.228 3.827 1.00 0.00 H new ATOM 0 HB ILE A 105 4.282 9.487 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.489 11.752 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.608 10.835 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.580 8.808 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.257 8.329 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.933 9.731 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.302 13.032 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.109 11.713 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.004 12.644 4.189 1.00 0.00 H new ATOM 1528 N PRO A 106 7.839 9.352 3.933 1.00 0.00 N ATOM 1529 CA PRO A 106 8.888 8.346 3.954 1.00 0.00 C ATOM 1530 C PRO A 106 8.298 6.942 4.102 1.00 0.00 C ATOM 1531 O PRO A 106 7.114 6.791 4.400 1.00 0.00 O ATOM 1532 CB PRO A 106 9.786 8.738 5.115 1.00 0.00 C ATOM 1533 CG PRO A 106 8.959 9.672 5.985 1.00 0.00 C ATOM 1534 CD PRO A 106 7.743 10.101 5.182 1.00 0.00 C ATOM 0 HA PRO A 106 9.455 8.310 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.104 7.860 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.690 9.233 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.653 9.168 6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.548 10.541 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 106 6.818 9.871 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.748 11.176 5.000 1.00 0.00 H new ATOM 1542 N PRO A 107 9.173 5.924 3.882 1.00 0.00 N ATOM 1543 CA PRO A 107 8.751 4.538 3.988 1.00 0.00 C ATOM 1544 C PRO A 107 8.586 4.126 5.452 1.00 0.00 C ATOM 1545 O PRO A 107 9.571 3.863 6.141 1.00 0.00 O ATOM 1546 CB PRO A 107 9.825 3.743 3.265 1.00 0.00 C ATOM 1547 CG PRO A 107 11.037 4.657 3.185 1.00 0.00 C ATOM 1548 CD PRO A 107 10.582 6.066 3.527 1.00 0.00 C ATOM 0 HA PRO A 107 7.774 4.361 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.062 2.826 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.491 3.450 2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.810 4.327 3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.471 4.628 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.159 6.479 4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.711 6.740 2.680 1.00 0.00 H new ATOM 1556 N THR A 108 7.334 4.083 5.885 1.00 0.00 N ATOM 1557 CA THR A 108 7.028 3.707 7.255 1.00 0.00 C ATOM 1558 C THR A 108 6.196 2.424 7.282 1.00 0.00 C ATOM 1559 O THR A 108 5.465 2.133 6.336 1.00 0.00 O ATOM 1560 CB THR A 108 6.337 4.894 7.927 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.360 5.487 8.722 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.281 4.457 8.945 1.00 0.00 C ATOM 0 H THR A 108 6.520 4.302 5.311 1.00 0.00 H new ATOM 0 HA THR A 108 7.935 3.481 7.816 1.00 0.00 H new ATOM 0 HB THR A 108 5.871 5.521 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.998 6.267 9.192 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.821 5.338 9.393 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.516 3.863 8.444 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.753 3.858 9.724 1.00 0.00 H new ATOM 1570 N ALA A 109 6.333 1.690 8.377 1.00 0.00 N ATOM 1571 CA ALA A 109 5.602 0.445 8.540 1.00 0.00 C ATOM 1572 C ALA A 109 4.171 0.753 8.986 1.00 0.00 C ATOM 1573 O ALA A 109 3.945 1.154 10.126 1.00 0.00 O ATOM 1574 CB ALA A 109 6.341 -0.454 9.534 1.00 0.00 C ATOM 0 H ALA A 109 6.940 1.934 9.160 1.00 0.00 H new ATOM 0 HA ALA A 109 5.544 -0.093 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.793 -1.388 9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.342 -0.667 9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.415 0.052 10.497 1.00 0.00 H new ATOM 1580 N TYR A 110 3.243 0.554 8.062 1.00 0.00 N ATOM 1581 CA TYR A 110 1.840 0.805 8.345 1.00 0.00 C ATOM 1582 C TYR A 110 1.187 -0.412 9.004 1.00 0.00 C ATOM 1583 O TYR A 110 1.507 -1.551 8.668 1.00 0.00 O ATOM 1584 CB TYR A 110 1.174 1.055 6.990 1.00 0.00 C ATOM 1585 CG TYR A 110 1.514 2.411 6.370 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.792 3.533 6.725 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.543 2.514 5.457 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.112 4.810 6.142 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.863 3.791 4.873 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.132 4.876 5.245 1.00 0.00 C ATOM 1591 OH TYR A 110 2.434 6.082 4.694 1.00 0.00 O ATOM 0 H TYR A 110 3.435 0.222 7.117 1.00 0.00 H new ATOM 0 HA TYR A 110 1.731 1.649 9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.472 0.266 6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.093 0.982 7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.013 3.453 7.440 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.109 1.637 5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.555 5.695 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.665 3.885 4.156 1.00 0.00 H new ATOM 0 HH TYR A 110 3.314 6.035 4.266 1.00 0.00 H new ATOM 1601 N ASN A 111 0.284 -0.129 9.932 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.417 -1.186 10.641 1.00 0.00 C ATOM 1603 C ASN A 111 -1.194 -2.040 9.637 1.00 0.00 C ATOM 1604 O ASN A 111 -1.901 -1.509 8.782 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.417 -0.607 11.643 1.00 0.00 C ATOM 1606 CG ASN A 111 -0.776 0.500 12.482 1.00 0.00 C ATOM 1607 OD1 ASN A 111 0.370 0.873 12.292 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.576 1.003 13.418 1.00 0.00 N ATOM 0 H ASN A 111 0.022 0.817 10.209 1.00 0.00 H new ATOM 0 HA ASN A 111 0.323 -1.783 11.174 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.282 -0.210 11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.781 -1.399 12.297 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.240 1.747 14.030 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.525 0.645 13.524 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.035 -3.348 9.774 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.713 -4.281 8.890 1.00 0.00 C ATOM 1617 C VAL A 112 -2.749 -5.074 9.689 1.00 0.00 C ATOM 1618 O VAL A 112 -2.393 -5.846 10.579 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.689 -5.173 8.186 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.374 -6.351 7.490 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.154 -4.366 7.197 1.00 0.00 C ATOM 0 H VAL A 112 -0.447 -3.784 10.484 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.249 -3.744 8.107 1.00 0.00 H new ATOM 0 HB VAL A 112 -0.019 -5.577 8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.623 -6.969 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.909 -6.949 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.079 -5.975 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.874 -5.024 6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.496 -3.920 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.686 -3.578 7.730 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.009 -4.858 9.344 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.098 -5.543 10.018 1.00 0.00 C ATOM 1633 C VAL A 113 -5.758 -6.523 9.046 1.00 0.00 C ATOM 1634 O VAL A 113 -5.464 -6.511 7.851 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.081 -4.522 10.596 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.804 -4.276 12.081 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.040 -3.213 9.806 1.00 0.00 C ATOM 0 H VAL A 113 -4.300 -4.218 8.606 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.720 -6.124 10.860 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.086 -4.935 10.506 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.516 -3.547 12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.908 -5.212 12.630 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.791 -3.894 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.748 -2.505 10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.035 -2.793 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.308 -3.406 8.767 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.637 -7.349 9.594 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.341 -8.334 8.790 1.00 0.00 C ATOM 1649 C LYS A 114 -8.782 -8.458 9.289 1.00 0.00 C ATOM 1650 O LYS A 114 -9.073 -9.280 10.158 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.578 -9.660 8.778 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.412 -10.767 8.129 1.00 0.00 C ATOM 1653 CD LYS A 114 -8.048 -10.282 6.825 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.893 -11.384 6.185 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.892 -10.801 5.261 1.00 0.00 N ATOM 0 H LYS A 114 -6.878 -7.357 10.585 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.390 -8.012 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.641 -9.540 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.320 -9.945 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.781 -11.633 7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.191 -11.092 8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.671 -9.409 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.269 -9.967 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.248 -12.076 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.399 -11.959 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.457 -11.563 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.518 -10.158 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.404 -10.272 4.511 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.645 -7.631 8.719 1.00 0.00 N ATOM 1670 CA ASP A 115 -11.049 -7.638 9.096 1.00 0.00 C ATOM 1671 C ASP A 115 -11.241 -6.779 10.347 1.00 0.00 C ATOM 1672 O ASP A 115 -12.346 -6.312 10.619 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.525 -9.056 9.419 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.945 -9.383 8.953 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.885 -8.829 9.565 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -13.060 -10.179 7.996 1.00 0.00 O ATOM 0 H ASP A 115 -9.400 -6.951 7.999 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.625 -7.246 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.836 -9.767 8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.469 -9.205 10.497 1.00 0.00 H new ATOM 1681 N GLU A 116 -10.149 -6.596 11.074 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.183 -5.801 12.290 1.00 0.00 C ATOM 1683 C GLU A 116 -8.982 -6.135 13.177 1.00 0.00 C ATOM 1684 O GLU A 116 -8.536 -5.301 13.963 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.498 -6.010 13.045 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.886 -7.490 13.069 1.00 0.00 C ATOM 1687 CD GLU A 116 -12.293 -7.927 14.478 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -13.271 -7.343 14.993 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -11.616 -8.834 15.008 1.00 0.00 O ATOM 0 H GLU A 116 -9.234 -6.985 10.844 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.124 -4.748 12.014 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.399 -5.640 14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.290 -5.430 12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.710 -7.665 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.047 -8.095 12.725 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.493 -7.356 13.021 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.353 -7.811 13.798 1.00 0.00 C ATOM 1698 C GLU A 117 -6.050 -7.301 13.177 1.00 0.00 C ATOM 1699 O GLU A 117 -6.041 -6.839 12.037 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.343 -9.336 13.917 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.005 -9.989 12.575 1.00 0.00 C ATOM 1702 CD GLU A 117 -7.412 -11.464 12.565 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -7.011 -12.169 13.516 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -8.114 -11.852 11.607 1.00 0.00 O ATOM 0 H GLU A 117 -8.866 -8.045 12.367 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.438 -7.402 14.805 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.614 -9.641 14.668 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.318 -9.684 14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.517 -9.461 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.936 -9.902 12.383 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.982 -7.402 13.954 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.677 -6.958 13.494 1.00 0.00 C ATOM 1713 C TYR A 118 -2.812 -8.145 13.067 1.00 0.00 C ATOM 1714 O TYR A 118 -2.498 -9.013 13.880 1.00 0.00 O ATOM 1715 CB TYR A 118 -3.021 -6.269 14.692 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.712 -5.551 14.357 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.722 -4.448 13.527 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.521 -6.007 14.884 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.490 -3.773 13.212 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.712 -5.332 14.568 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.666 -4.249 13.748 1.00 0.00 C ATOM 1722 OH TYR A 118 1.830 -3.611 13.450 1.00 0.00 O ATOM 0 H TYR A 118 -4.993 -7.785 14.899 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.778 -6.296 12.634 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.722 -5.548 15.112 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.828 -7.013 15.465 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.654 -4.091 13.114 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.513 -6.870 15.533 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.484 -2.908 12.565 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.651 -5.679 14.973 1.00 0.00 H new ATOM 0 HH TYR A 118 2.574 -4.060 13.903 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.453 -8.145 11.792 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.630 -9.212 11.247 1.00 0.00 C ATOM 1734 C LYS A 119 -0.153 -8.855 11.428 1.00 0.00 C ATOM 1735 O LYS A 119 0.606 -9.619 12.021 1.00 0.00 O ATOM 1736 CB LYS A 119 -2.020 -9.500 9.795 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.441 -10.059 9.710 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.512 -11.471 10.297 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.284 -11.478 11.617 1.00 0.00 C ATOM 1740 NZ LYS A 119 -3.919 -12.663 12.425 1.00 0.00 N ATOM 0 H LYS A 119 -2.717 -7.424 11.121 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.802 -10.141 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.950 -8.585 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.319 -10.212 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.126 -9.403 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.767 -10.077 8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.995 -12.141 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.504 -11.852 10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.067 -10.568 12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.356 -11.482 11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.452 -12.652 13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.148 -13.528 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.900 -12.643 12.630 1.00 0.00 H new ATOM 1754 N GLY A 120 0.210 -7.692 10.905 1.00 0.00 N ATOM 1755 CA GLY A 120 1.582 -7.224 11.002 1.00 0.00 C ATOM 1756 C GLY A 120 1.689 -5.752 10.599 1.00 0.00 C ATOM 1757 O GLY A 120 0.849 -4.938 10.979 1.00 0.00 O ATOM 0 H GLY A 120 -0.422 -7.061 10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.942 -7.352 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.222 -7.828 10.359 1.00 0.00 H new ATOM 1761 N GLU A 121 2.729 -5.456 9.834 1.00 0.00 N ATOM 1762 CA GLU A 121 2.957 -4.096 9.375 1.00 0.00 C ATOM 1763 C GLU A 121 3.460 -4.101 7.930 1.00 0.00 C ATOM 1764 O GLU A 121 4.217 -4.986 7.536 1.00 0.00 O ATOM 1765 CB GLU A 121 3.936 -3.364 10.294 1.00 0.00 C ATOM 1766 CG GLU A 121 5.214 -4.181 10.497 1.00 0.00 C ATOM 1767 CD GLU A 121 5.885 -3.829 11.827 1.00 0.00 C ATOM 1768 OE1 GLU A 121 6.194 -2.632 12.006 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.073 -4.766 12.633 1.00 0.00 O ATOM 0 H GLU A 121 3.423 -6.134 9.520 1.00 0.00 H new ATOM 0 HA GLU A 121 2.009 -3.559 9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.185 -2.393 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.464 -3.176 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.977 -5.245 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.905 -3.992 9.676 1.00 0.00 H new ATOM 1776 N ILE A 122 3.020 -3.101 7.180 1.00 0.00 N ATOM 1777 CA ILE A 122 3.416 -2.979 5.788 1.00 0.00 C ATOM 1778 C ILE A 122 4.175 -1.665 5.591 1.00 0.00 C ATOM 1779 O ILE A 122 3.655 -0.593 5.895 1.00 0.00 O ATOM 1780 CB ILE A 122 2.201 -3.131 4.870 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.631 -3.230 3.404 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.197 -2.000 5.098 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.424 -3.471 2.495 1.00 0.00 C ATOM 0 H ILE A 122 2.393 -2.368 7.511 1.00 0.00 H new ATOM 0 HA ILE A 122 4.097 -3.785 5.514 1.00 0.00 H new ATOM 0 HB ILE A 122 1.697 -4.064 5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.137 -2.312 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.348 -4.042 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.343 -2.132 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.857 -2.019 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.674 -1.042 4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.756 -3.537 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.934 -4.402 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.720 -2.645 2.598 1.00 0.00 H new ATOM 1795 N TRP A 123 5.393 -1.792 5.085 1.00 0.00 N ATOM 1796 CA TRP A 123 6.228 -0.628 4.844 1.00 0.00 C ATOM 1797 C TRP A 123 5.843 -0.043 3.485 1.00 0.00 C ATOM 1798 O TRP A 123 5.963 -0.712 2.460 1.00 0.00 O ATOM 1799 CB TRP A 123 7.712 -0.989 4.941 1.00 0.00 C ATOM 1800 CG TRP A 123 8.212 -1.186 6.374 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.879 -2.154 7.238 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.155 -0.351 7.078 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.536 -2.005 8.443 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.336 -0.873 8.342 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.833 0.808 6.660 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 10.192 -0.303 9.292 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.685 1.366 7.621 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.878 0.852 8.898 1.00 0.00 C ATOM 0 H TRP A 123 5.821 -2.683 4.835 1.00 0.00 H new ATOM 0 HA TRP A 123 6.062 0.131 5.609 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.891 -1.904 4.376 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.299 -0.202 4.467 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.184 -2.951 7.019 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.450 -2.613 9.257 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.707 1.234 5.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.316 -0.731 10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.230 2.258 7.351 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.554 1.342 9.583 1.00 0.00 H new ATOM 1819 N VAL A 124 5.388 1.201 3.519 1.00 0.00 N ATOM 1820 CA VAL A 124 4.984 1.885 2.302 1.00 0.00 C ATOM 1821 C VAL A 124 5.520 3.318 2.325 1.00 0.00 C ATOM 1822 O VAL A 124 5.787 3.867 3.393 1.00 0.00 O ATOM 1823 CB VAL A 124 3.464 1.817 2.143 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.040 2.250 0.739 1.00 0.00 C ATOM 1825 CG2 VAL A 124 2.941 0.416 2.467 1.00 0.00 C ATOM 0 H VAL A 124 5.290 1.753 4.371 1.00 0.00 H new ATOM 0 HA VAL A 124 5.411 1.393 1.428 1.00 0.00 H new ATOM 0 HB VAL A 124 3.021 2.513 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.955 2.192 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.364 3.275 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.498 1.591 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.858 0.395 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.396 -0.308 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.196 0.161 3.496 1.00 0.00 H new ATOM 1835 N ALA A 125 5.660 3.882 1.135 1.00 0.00 N ATOM 1836 CA ALA A 125 6.159 5.241 1.006 1.00 0.00 C ATOM 1837 C ALA A 125 5.426 5.942 -0.140 1.00 0.00 C ATOM 1838 O ALA A 125 5.430 5.459 -1.272 1.00 0.00 O ATOM 1839 CB ALA A 125 7.674 5.211 0.796 1.00 0.00 C ATOM 0 H ALA A 125 5.437 3.423 0.252 1.00 0.00 H new ATOM 0 HA ALA A 125 5.967 5.808 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.048 6.230 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.150 4.729 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.905 4.652 -0.111 1.00 0.00 H new ATOM 1845 N LEU A 126 4.814 7.069 0.193 1.00 0.00 N ATOM 1846 CA LEU A 126 4.078 7.840 -0.794 1.00 0.00 C ATOM 1847 C LEU A 126 4.754 9.200 -0.979 1.00 0.00 C ATOM 1848 O LEU A 126 5.154 9.836 -0.005 1.00 0.00 O ATOM 1849 CB LEU A 126 2.601 7.935 -0.407 1.00 0.00 C ATOM 1850 CG LEU A 126 1.992 6.684 0.228 1.00 0.00 C ATOM 1851 CD1 LEU A 126 2.655 5.416 -0.314 1.00 0.00 C ATOM 1852 CD2 LEU A 126 2.057 6.757 1.755 1.00 0.00 C ATOM 0 H LEU A 126 4.813 7.466 1.132 1.00 0.00 H new ATOM 0 HA LEU A 126 4.098 7.339 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.481 8.766 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.027 8.181 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 126 0.938 6.639 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.204 4.541 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.513 5.364 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.721 5.438 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.617 5.855 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.097 6.838 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.503 7.629 2.101 1.00 0.00 H new ATOM 1864 N SER A 127 4.861 9.607 -2.236 1.00 0.00 N ATOM 1865 CA SER A 127 5.481 10.880 -2.560 1.00 0.00 C ATOM 1866 C SER A 127 4.645 11.617 -3.608 1.00 0.00 C ATOM 1867 O SER A 127 4.803 11.389 -4.806 1.00 0.00 O ATOM 1868 CB SER A 127 6.912 10.682 -3.066 1.00 0.00 C ATOM 1869 OG SER A 127 7.849 10.592 -1.997 1.00 0.00 O ATOM 0 H SER A 127 4.529 9.077 -3.042 1.00 0.00 H new ATOM 0 HA SER A 127 5.525 11.481 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.961 9.775 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.184 11.512 -3.718 1.00 0.00 H new ATOM 0 HG SER A 127 8.750 10.464 -2.361 1.00 0.00 H new ATOM 1875 N PHE A 128 3.774 12.487 -3.118 1.00 0.00 N ATOM 1876 CA PHE A 128 2.913 13.259 -3.997 1.00 0.00 C ATOM 1877 C PHE A 128 3.733 14.205 -4.877 1.00 0.00 C ATOM 1878 O PHE A 128 4.857 14.564 -4.528 1.00 0.00 O ATOM 1879 CB PHE A 128 1.988 14.088 -3.102 1.00 0.00 C ATOM 1880 CG PHE A 128 0.886 14.828 -3.863 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.022 14.136 -4.653 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.770 16.178 -3.748 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -1.001 14.823 -5.358 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.253 16.865 -4.454 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.117 16.173 -5.244 1.00 0.00 C ATOM 0 H PHE A 128 3.646 12.674 -2.123 1.00 0.00 H new ATOM 0 HA PHE A 128 2.354 12.590 -4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.528 13.430 -2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.586 14.814 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.114 13.064 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.456 16.728 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.687 14.273 -5.985 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.345 17.937 -4.363 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.895 16.696 -5.781 1.00 0.00 H new ATOM 1895 N LYS A 129 3.140 14.580 -6.000 1.00 0.00 N ATOM 1896 CA LYS A 129 3.802 15.477 -6.933 1.00 0.00 C ATOM 1897 C LYS A 129 2.766 16.416 -7.553 1.00 0.00 C ATOM 1898 O LYS A 129 2.175 16.100 -8.585 1.00 0.00 O ATOM 1899 CB LYS A 129 4.605 14.681 -7.963 1.00 0.00 C ATOM 1900 CG LYS A 129 5.946 14.227 -7.381 1.00 0.00 C ATOM 1901 CD LYS A 129 6.629 13.215 -8.303 1.00 0.00 C ATOM 1902 CE LYS A 129 7.534 12.272 -7.508 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.879 12.866 -7.336 1.00 0.00 N ATOM 0 H LYS A 129 2.208 14.279 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 129 4.527 16.102 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 129 4.031 13.812 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.777 15.294 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.596 15.091 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.788 13.781 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.875 12.637 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.217 13.742 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.092 12.071 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.616 11.316 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.480 12.213 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 9.305 13.036 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.798 13.767 -6.823 1.00 0.00 H new ATOM 1917 N PRO A 130 2.572 17.583 -6.881 1.00 0.00 N ATOM 1918 CA PRO A 130 1.618 18.570 -7.356 1.00 0.00 C ATOM 1919 C PRO A 130 2.165 19.321 -8.572 1.00 0.00 C ATOM 1920 O PRO A 130 3.372 19.523 -8.690 1.00 0.00 O ATOM 1921 CB PRO A 130 1.364 19.477 -6.163 1.00 0.00 C ATOM 1922 CG PRO A 130 2.527 19.249 -5.211 1.00 0.00 C ATOM 1923 CD PRO A 130 3.254 17.991 -5.657 1.00 0.00 C ATOM 0 HA PRO A 130 0.687 18.122 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.310 20.521 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.415 19.236 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.202 20.104 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.167 19.140 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.310 18.188 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.201 17.212 -4.896 1.00 0.00 H new ATOM 1931 N SER A 131 1.249 19.714 -9.445 1.00 0.00 N ATOM 1932 CA SER A 131 1.624 20.438 -10.648 1.00 0.00 C ATOM 1933 C SER A 131 1.878 21.910 -10.315 1.00 0.00 C ATOM 1934 O SER A 131 0.979 22.742 -10.437 1.00 0.00 O ATOM 1935 CB SER A 131 0.544 20.316 -11.724 1.00 0.00 C ATOM 1936 OG SER A 131 0.970 20.856 -12.972 1.00 0.00 O ATOM 0 H SER A 131 0.248 19.545 -9.343 1.00 0.00 H new ATOM 0 HA SER A 131 2.540 19.997 -11.040 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.279 19.267 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.357 20.833 -11.394 1.00 0.00 H new ATOM 0 HG SER A 131 0.253 20.758 -13.633 1.00 0.00 H new ATOM 1942 N GLY A 132 3.105 22.187 -9.901 1.00 0.00 N ATOM 1943 CA GLY A 132 3.488 23.544 -9.549 1.00 0.00 C ATOM 1944 C GLY A 132 4.933 23.831 -9.964 1.00 0.00 C ATOM 1945 O GLY A 132 5.380 23.386 -11.020 1.00 0.00 O ATOM 0 H GLY A 132 3.848 21.495 -9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.818 24.253 -10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 132 3.379 23.689 -8.474 1.00 0.00 H new ATOM 1949 N PRO A 133 5.642 24.593 -9.088 1.00 0.00 N ATOM 1950 CA PRO A 133 7.026 24.944 -9.353 1.00 0.00 C ATOM 1951 C PRO A 133 7.951 23.749 -9.114 1.00 0.00 C ATOM 1952 O PRO A 133 8.583 23.648 -8.064 1.00 0.00 O ATOM 1953 CB PRO A 133 7.319 26.115 -8.428 1.00 0.00 C ATOM 1954 CG PRO A 133 6.243 26.077 -7.355 1.00 0.00 C ATOM 1955 CD PRO A 133 5.145 25.138 -7.828 1.00 0.00 C ATOM 0 HA PRO A 133 7.197 25.222 -10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 133 8.312 26.026 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 133 7.294 27.059 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 133 6.660 25.731 -6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 133 5.842 27.076 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 133 4.959 24.348 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 133 4.204 25.669 -7.970 1.00 0.00 H new ATOM 1963 N SER A 134 8.001 22.873 -10.107 1.00 0.00 N ATOM 1964 CA SER A 134 8.837 21.688 -10.018 1.00 0.00 C ATOM 1965 C SER A 134 9.011 21.065 -11.405 1.00 0.00 C ATOM 1966 O SER A 134 8.058 20.990 -12.179 1.00 0.00 O ATOM 1967 CB SER A 134 8.243 20.665 -9.048 1.00 0.00 C ATOM 1968 OG SER A 134 9.209 19.708 -8.622 1.00 0.00 O ATOM 0 H SER A 134 7.476 22.960 -10.977 1.00 0.00 H new ATOM 0 HA SER A 134 9.813 21.987 -9.635 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.838 21.183 -8.178 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.411 20.151 -9.529 1.00 0.00 H new ATOM 0 HG SER A 134 8.791 19.074 -8.003 1.00 0.00 H new ATOM 1974 N SER A 135 10.235 20.635 -11.676 1.00 0.00 N ATOM 1975 CA SER A 135 10.545 20.021 -12.956 1.00 0.00 C ATOM 1976 C SER A 135 11.941 19.396 -12.911 1.00 0.00 C ATOM 1977 O SER A 135 12.919 20.074 -12.597 1.00 0.00 O ATOM 1978 CB SER A 135 10.457 21.042 -14.092 1.00 0.00 C ATOM 1979 OG SER A 135 10.433 20.415 -15.372 1.00 0.00 O ATOM 0 H SER A 135 11.023 20.700 -11.032 1.00 0.00 H new ATOM 0 HA SER A 135 9.810 19.240 -13.148 1.00 0.00 H new ATOM 0 HB2 SER A 135 9.559 21.647 -13.967 1.00 0.00 H new ATOM 0 HB3 SER A 135 11.308 21.721 -14.036 1.00 0.00 H new ATOM 0 HG SER A 135 10.375 21.100 -16.071 1.00 0.00 H new ATOM 1985 N GLY A 136 11.990 18.111 -13.231 1.00 0.00 N ATOM 1986 CA GLY A 136 13.250 17.388 -13.231 1.00 0.00 C ATOM 1987 C GLY A 136 13.720 17.105 -14.659 1.00 0.00 C ATOM 1988 O GLY A 136 13.302 16.124 -15.272 1.00 0.00 O ATOM 0 H GLY A 136 11.177 17.552 -13.492 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.007 17.969 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.135 16.449 -12.690 1.00 0.00 H new TER 1992 GLY A 136