USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1072 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 99 GLN : amide:sc= 0.617 K(o=0.91,f=-1.4) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.289 K(o=0.91,f=-2.9) USER MOD Set 2.1: A 77 SER OG : rot 126:sc= 0.738 USER MOD Set 2.2: A 79 SER OG : rot 125:sc= 0.00988 USER MOD Set 3.1: A 73 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.11) USER MOD Set 3.2: A 87 GLN : amide:sc= -1.89! C(o=-0.72!,f=-5.4!) USER MOD Set 4.1: A 65 GLN : amide:sc= -0.0367 K(o=-0.52,f=-1.5) USER MOD Set 4.2: A 130 SER OG : rot 131:sc= -0.478 USER MOD Set 5.1: A 56 HIS : no HD1:sc= 0.412 K(o=0.67,f=-0.58) USER MOD Set 5.2: A 139 SER OG : rot 88:sc= 0.261 USER MOD Set 6.1: A 20 SER OG : rot 180:sc= -0.766 USER MOD Set 6.2: A 41 THR OG1 : rot 150:sc= 1.35 USER MOD Set 6.3: A 47 GLN : amide:sc= -3.04! C(o=-2.5!,f=-7.3!) USER MOD Set 7.1: A 29 ASN : amide:sc= 0.76 K(o=1.7,f=-0.41) USER MOD Set 7.2: A 37 THR OG1 : rot 42:sc= 0.939 USER MOD Single : A 3 LYS NZ :NH3+ 153:sc= 1.84 (180deg=0.158) USER MOD Single : A 7 CYS SG : rot -39:sc= -1.39 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -161:sc= 1.13 USER MOD Single : A 19 THR OG1 : rot -65:sc= 1.08 USER MOD Single : A 21 SER OG : rot -1:sc= 0.352 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 1.06 (180deg=0.823) USER MOD Single : A 25 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.7!) USER MOD Single : A 34 ASN : amide:sc= 1.14 K(o=1.1,f=-0.21) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 160:sc= -0.122 (180deg=-0.656) USER MOD Single : A 52 CYS SG : rot -83:sc= 0.919 USER MOD Single : A 54 HIS : no HD1:sc= 0.973 K(o=0.97,f=-5.9!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 2.31 (180deg=2.08) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 26:sc= -0.653! USER MOD Single : A 70 GLN : amide:sc= -0.492 K(o=-0.49,f=-1.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= 0.484 (180deg=0.0132) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= -0.0512 (180deg=-0.382) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0.18) USER MOD Single : A 95 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-0.13) USER MOD Single : A 96 THR OG1 : rot 110:sc= 0.0161 USER MOD Single : A 102 ASN : amide:sc= -0.195 K(o=-0.19,f=-3.2!) USER MOD Single : A 108 HIS : no HD1:sc= -0.861 K(o=-0.86,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 159:sc= -1.74! USER MOD Single : A 113 TYR OH : rot 30:sc= 1.27 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.58) USER MOD Single : A 127 SER OG : rot 37:sc= 0.0285 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.954 -13.911 4.057 1.00 0.00 N ATOM 19 CA ARG A 2 1.672 -13.238 3.910 1.00 0.00 C ATOM 20 C ARG A 2 1.866 -11.733 4.046 1.00 0.00 C ATOM 21 O ARG A 2 2.762 -11.285 4.762 1.00 0.00 O ATOM 22 CB ARG A 2 0.656 -13.751 4.938 1.00 0.00 C ATOM 23 CG ARG A 2 1.039 -13.479 6.382 1.00 0.00 C ATOM 24 CD ARG A 2 0.018 -14.058 7.346 1.00 0.00 C ATOM 25 NE ARG A 2 0.370 -13.781 8.738 1.00 0.00 N ATOM 26 CZ ARG A 2 -0.028 -14.516 9.775 1.00 0.00 C ATOM 27 NH1 ARG A 2 -0.831 -15.561 9.594 1.00 0.00 N ATOM 28 NH2 ARG A 2 0.365 -14.186 10.999 1.00 0.00 N ATOM 0 HA ARG A 2 1.274 -13.458 2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.311 -13.290 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.531 -14.825 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.019 -13.909 6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.123 -12.404 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.965 -13.640 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.054 -15.135 7.196 1.00 0.00 H new ATOM 0 HE ARG A 2 0.960 -12.971 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.147 -15.805 8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.131 -16.118 10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.967 -13.375 11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.065 -14.743 11.799 1.00 0.00 H new ATOM 42 N LYS A 3 1.038 -10.969 3.339 1.00 0.00 N ATOM 43 CA LYS A 3 1.148 -9.511 3.305 1.00 0.00 C ATOM 44 C LYS A 3 2.489 -9.103 2.698 1.00 0.00 C ATOM 45 O LYS A 3 3.200 -8.246 3.228 1.00 0.00 O ATOM 46 CB LYS A 3 1.003 -8.900 4.706 1.00 0.00 C ATOM 47 CG LYS A 3 0.603 -7.434 4.681 1.00 0.00 C ATOM 48 CD LYS A 3 1.121 -6.674 5.892 1.00 0.00 C ATOM 49 CE LYS A 3 2.617 -6.401 5.785 1.00 0.00 C ATOM 50 NZ LYS A 3 2.969 -5.731 4.501 1.00 0.00 N ATOM 0 H LYS A 3 0.274 -11.340 2.775 1.00 0.00 H new ATOM 0 HA LYS A 3 0.335 -9.130 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.257 -9.464 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.948 -9.003 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.987 -6.970 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.484 -7.357 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.584 -5.730 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.919 -7.248 6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.932 -5.775 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.164 -7.340 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.833 -5.167 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.131 -6.450 3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.189 -5.108 4.209 1.00 0.00 H new ATOM 64 N ILE A 4 2.822 -9.709 1.574 1.00 0.00 N ATOM 65 CA ILE A 4 4.095 -9.449 0.923 1.00 0.00 C ATOM 66 C ILE A 4 3.920 -8.379 -0.153 1.00 0.00 C ATOM 67 O ILE A 4 2.887 -8.325 -0.821 1.00 0.00 O ATOM 68 CB ILE A 4 4.685 -10.751 0.325 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.067 -10.499 -0.285 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.741 -11.346 -0.712 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.762 -11.763 -0.748 1.00 0.00 C ATOM 0 H ILE A 4 2.230 -10.385 1.092 1.00 0.00 H new ATOM 0 HA ILE A 4 4.801 -9.080 1.667 1.00 0.00 H new ATOM 0 HB ILE A 4 4.800 -11.470 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.964 -9.820 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.695 -9.997 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.176 -12.259 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.784 -11.577 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.586 -10.628 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.735 -11.510 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.897 -12.435 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.155 -12.255 -1.508 1.00 0.00 H new ATOM 83 N ASP A 5 4.920 -7.511 -0.284 1.00 0.00 N ATOM 84 CA ASP A 5 4.845 -6.368 -1.193 1.00 0.00 C ATOM 85 C ASP A 5 5.021 -6.813 -2.637 1.00 0.00 C ATOM 86 O ASP A 5 6.135 -6.873 -3.152 1.00 0.00 O ATOM 87 CB ASP A 5 5.903 -5.323 -0.833 1.00 0.00 C ATOM 88 CG ASP A 5 5.752 -4.814 0.584 1.00 0.00 C ATOM 89 OD1 ASP A 5 6.318 -5.438 1.508 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.064 -3.798 0.783 1.00 0.00 O ATOM 0 H ASP A 5 5.798 -7.578 0.231 1.00 0.00 H new ATOM 0 HA ASP A 5 3.858 -5.918 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.895 -5.757 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.833 -4.485 -1.527 1.00 0.00 H new ATOM 95 N LEU A 6 3.908 -7.106 -3.286 1.00 0.00 N ATOM 96 CA LEU A 6 3.911 -7.699 -4.616 1.00 0.00 C ATOM 97 C LEU A 6 4.089 -6.660 -5.724 1.00 0.00 C ATOM 98 O LEU A 6 3.908 -6.960 -6.901 1.00 0.00 O ATOM 99 CB LEU A 6 2.615 -8.487 -4.813 1.00 0.00 C ATOM 100 CG LEU A 6 2.430 -9.656 -3.838 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.962 -10.047 -3.719 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.263 -10.844 -4.283 1.00 0.00 C ATOM 0 H LEU A 6 2.975 -6.940 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 6 4.769 -8.368 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.770 -7.806 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.590 -8.872 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 6 2.770 -9.335 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.862 -10.878 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.387 -9.196 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.585 -10.347 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.124 -11.668 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.949 -11.156 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.316 -10.562 -4.307 1.00 0.00 H new ATOM 114 N CYS A 7 4.431 -5.438 -5.347 1.00 0.00 N ATOM 115 CA CYS A 7 4.640 -4.378 -6.328 1.00 0.00 C ATOM 116 C CYS A 7 6.118 -4.250 -6.718 1.00 0.00 C ATOM 117 O CYS A 7 6.470 -3.460 -7.589 1.00 0.00 O ATOM 118 CB CYS A 7 4.118 -3.044 -5.785 1.00 0.00 C ATOM 119 SG CYS A 7 4.086 -1.711 -7.006 1.00 0.00 S ATOM 0 H CYS A 7 4.570 -5.154 -4.377 1.00 0.00 H new ATOM 0 HA CYS A 7 4.082 -4.643 -7.226 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.110 -3.191 -5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.741 -2.737 -4.945 1.00 0.00 H new ATOM 0 HG CYS A 7 5.148 -1.780 -7.752 1.00 0.00 H new ATOM 125 N LEU A 8 6.980 -5.035 -6.082 1.00 0.00 N ATOM 126 CA LEU A 8 8.419 -4.867 -6.240 1.00 0.00 C ATOM 127 C LEU A 8 8.961 -5.644 -7.432 1.00 0.00 C ATOM 128 O LEU A 8 8.449 -6.703 -7.790 1.00 0.00 O ATOM 129 CB LEU A 8 9.142 -5.328 -4.972 1.00 0.00 C ATOM 130 CG LEU A 8 8.704 -4.631 -3.686 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.515 -5.135 -2.502 1.00 0.00 C ATOM 132 CD2 LEU A 8 8.842 -3.126 -3.831 1.00 0.00 C ATOM 0 H LEU A 8 6.708 -5.792 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 8 8.601 -3.807 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.989 -6.401 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.212 -5.171 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 8 7.655 -4.865 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.189 -4.627 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.366 -6.209 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.572 -4.931 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.526 -2.641 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.882 -2.874 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.216 -2.781 -4.654 1.00 0.00 H new ATOM 144 N SER A 9 10.022 -5.117 -8.023 1.00 0.00 N ATOM 145 CA SER A 9 10.740 -5.811 -9.078 1.00 0.00 C ATOM 146 C SER A 9 11.429 -7.042 -8.503 1.00 0.00 C ATOM 147 O SER A 9 11.686 -8.016 -9.209 1.00 0.00 O ATOM 148 CB SER A 9 11.761 -4.872 -9.716 1.00 0.00 C ATOM 149 OG SER A 9 12.486 -4.161 -8.724 1.00 0.00 O ATOM 0 H SER A 9 10.407 -4.202 -7.786 1.00 0.00 H new ATOM 0 HA SER A 9 10.037 -6.130 -9.847 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.451 -5.445 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.252 -4.168 -10.374 1.00 0.00 H new ATOM 0 HG SER A 9 13.135 -3.567 -9.156 1.00 0.00 H new ATOM 155 N SER A 10 11.692 -6.994 -7.201 1.00 0.00 N ATOM 156 CA SER A 10 12.274 -8.121 -6.489 1.00 0.00 C ATOM 157 C SER A 10 11.254 -9.254 -6.407 1.00 0.00 C ATOM 158 O SER A 10 11.596 -10.413 -6.164 1.00 0.00 O ATOM 159 CB SER A 10 12.706 -7.683 -5.090 1.00 0.00 C ATOM 160 OG SER A 10 13.492 -6.501 -5.152 1.00 0.00 O ATOM 0 H SER A 10 11.509 -6.179 -6.616 1.00 0.00 H new ATOM 0 HA SER A 10 13.153 -8.478 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.826 -7.508 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.277 -8.480 -4.614 1.00 0.00 H new ATOM 0 HG SER A 10 13.757 -6.236 -4.246 1.00 0.00 H new ATOM 166 N GLU A 11 9.994 -8.899 -6.626 1.00 0.00 N ATOM 167 CA GLU A 11 8.912 -9.865 -6.659 1.00 0.00 C ATOM 168 C GLU A 11 8.703 -10.403 -8.069 1.00 0.00 C ATOM 169 O GLU A 11 7.944 -11.349 -8.271 1.00 0.00 O ATOM 170 CB GLU A 11 7.623 -9.223 -6.144 1.00 0.00 C ATOM 171 CG GLU A 11 7.583 -9.089 -4.637 1.00 0.00 C ATOM 172 CD GLU A 11 7.737 -10.423 -3.950 1.00 0.00 C ATOM 173 OE1 GLU A 11 6.856 -11.289 -4.132 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.754 -10.624 -3.259 1.00 0.00 O ATOM 0 H GLU A 11 9.698 -7.936 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 11 9.179 -10.701 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.512 -8.236 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.772 -9.820 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.378 -8.419 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.639 -8.633 -4.338 1.00 0.00 H new ATOM 181 N GLY A 12 9.389 -9.805 -9.035 1.00 0.00 N ATOM 182 CA GLY A 12 9.239 -10.212 -10.417 1.00 0.00 C ATOM 183 C GLY A 12 8.221 -9.366 -11.155 1.00 0.00 C ATOM 184 O GLY A 12 7.889 -9.639 -12.310 1.00 0.00 O ATOM 0 H GLY A 12 10.049 -9.042 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.203 -10.141 -10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.936 -11.258 -10.455 1.00 0.00 H new ATOM 188 N SER A 13 7.728 -8.334 -10.484 1.00 0.00 N ATOM 189 CA SER A 13 6.727 -7.455 -11.059 1.00 0.00 C ATOM 190 C SER A 13 7.344 -6.561 -12.135 1.00 0.00 C ATOM 191 O SER A 13 8.461 -6.060 -11.986 1.00 0.00 O ATOM 192 CB SER A 13 6.085 -6.620 -9.954 1.00 0.00 C ATOM 193 OG SER A 13 5.663 -7.457 -8.887 1.00 0.00 O ATOM 0 H SER A 13 8.009 -8.087 -9.535 1.00 0.00 H new ATOM 0 HA SER A 13 5.955 -8.058 -11.537 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.797 -5.881 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.233 -6.070 -10.353 1.00 0.00 H new ATOM 0 HG SER A 13 5.001 -6.983 -8.341 1.00 0.00 H new ATOM 199 N GLU A 14 6.608 -6.377 -13.220 1.00 0.00 N ATOM 200 CA GLU A 14 7.092 -5.628 -14.371 1.00 0.00 C ATOM 201 C GLU A 14 6.090 -4.553 -14.771 1.00 0.00 C ATOM 202 O GLU A 14 4.909 -4.836 -14.944 1.00 0.00 O ATOM 203 CB GLU A 14 7.318 -6.589 -15.542 1.00 0.00 C ATOM 204 CG GLU A 14 7.545 -5.904 -16.880 1.00 0.00 C ATOM 205 CD GLU A 14 7.504 -6.882 -18.035 1.00 0.00 C ATOM 206 OE1 GLU A 14 6.597 -7.738 -18.058 1.00 0.00 O ATOM 207 OE2 GLU A 14 8.389 -6.818 -18.911 1.00 0.00 O ATOM 0 H GLU A 14 5.661 -6.741 -13.328 1.00 0.00 H new ATOM 0 HA GLU A 14 8.031 -5.142 -14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.179 -7.218 -15.319 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.455 -7.249 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.785 -5.137 -17.028 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.510 -5.398 -16.868 1.00 0.00 H new ATOM 214 N VAL A 15 6.559 -3.324 -14.912 1.00 0.00 N ATOM 215 CA VAL A 15 5.706 -2.250 -15.393 1.00 0.00 C ATOM 216 C VAL A 15 5.721 -2.212 -16.919 1.00 0.00 C ATOM 217 O VAL A 15 6.767 -2.029 -17.546 1.00 0.00 O ATOM 218 CB VAL A 15 6.113 -0.875 -14.813 1.00 0.00 C ATOM 219 CG1 VAL A 15 5.813 -0.819 -13.324 1.00 0.00 C ATOM 220 CG2 VAL A 15 7.586 -0.581 -15.069 1.00 0.00 C ATOM 0 H VAL A 15 7.518 -3.047 -14.702 1.00 0.00 H new ATOM 0 HA VAL A 15 4.693 -2.456 -15.047 1.00 0.00 H new ATOM 0 HB VAL A 15 5.525 -0.110 -15.320 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.105 0.155 -12.930 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.746 -0.971 -13.162 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.373 -1.601 -12.810 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.841 0.392 -14.649 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.198 -1.351 -14.598 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.774 -0.574 -16.143 1.00 0.00 H new ATOM 230 N ILE A 16 4.556 -2.412 -17.510 1.00 0.00 N ATOM 231 CA ILE A 16 4.440 -2.511 -18.952 1.00 0.00 C ATOM 232 C ILE A 16 3.628 -1.346 -19.518 1.00 0.00 C ATOM 233 O ILE A 16 2.720 -0.819 -18.854 1.00 0.00 O ATOM 234 CB ILE A 16 3.791 -3.860 -19.363 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.777 -4.027 -20.886 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.380 -3.969 -18.805 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.151 -5.327 -21.351 1.00 0.00 C ATOM 0 H ILE A 16 3.673 -2.509 -17.009 1.00 0.00 H new ATOM 0 HA ILE A 16 5.446 -2.466 -19.368 1.00 0.00 H new ATOM 0 HB ILE A 16 4.396 -4.662 -18.940 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.233 -3.193 -21.329 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.800 -3.973 -21.258 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.943 -4.922 -19.104 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.414 -3.911 -17.717 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.771 -3.152 -19.193 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.177 -5.374 -22.440 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.709 -6.168 -20.938 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.117 -5.375 -21.010 1.00 0.00 H new ATOM 249 N LEU A 17 3.999 -0.936 -20.733 1.00 0.00 N ATOM 250 CA LEU A 17 3.277 0.077 -21.499 1.00 0.00 C ATOM 251 C LEU A 17 3.555 1.474 -20.953 1.00 0.00 C ATOM 252 O LEU A 17 4.422 2.174 -21.470 1.00 0.00 O ATOM 253 CB LEU A 17 1.770 -0.240 -21.524 1.00 0.00 C ATOM 254 CG LEU A 17 0.969 0.374 -22.675 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.299 -0.430 -22.906 1.00 0.00 C ATOM 256 CD2 LEU A 17 0.617 1.826 -22.385 1.00 0.00 C ATOM 0 H LEU A 17 4.819 -1.303 -21.216 1.00 0.00 H new ATOM 0 HA LEU A 17 3.636 0.057 -22.528 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.648 -1.323 -21.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.333 0.098 -20.584 1.00 0.00 H new ATOM 0 HG LEU A 17 1.586 0.347 -23.573 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.865 0.011 -23.726 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.037 -1.458 -23.157 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.905 -0.421 -22.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.048 2.236 -23.220 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.018 1.881 -21.476 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.532 2.403 -22.251 1.00 0.00 H new ATOM 268 N ALA A 18 2.839 1.846 -19.897 1.00 0.00 N ATOM 269 CA ALA A 18 2.966 3.165 -19.266 1.00 0.00 C ATOM 270 C ALA A 18 2.847 4.301 -20.287 1.00 0.00 C ATOM 271 O ALA A 18 3.840 4.735 -20.868 1.00 0.00 O ATOM 272 CB ALA A 18 4.279 3.268 -18.498 1.00 0.00 C ATOM 0 H ALA A 18 2.150 1.242 -19.449 1.00 0.00 H new ATOM 0 HA ALA A 18 2.140 3.271 -18.563 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.355 4.253 -18.037 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.308 2.502 -17.723 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.114 3.123 -19.184 1.00 0.00 H new ATOM 278 N THR A 19 1.625 4.777 -20.496 1.00 0.00 N ATOM 279 CA THR A 19 1.362 5.817 -21.491 1.00 0.00 C ATOM 280 C THR A 19 2.147 7.097 -21.208 1.00 0.00 C ATOM 281 O THR A 19 2.673 7.729 -22.123 1.00 0.00 O ATOM 282 CB THR A 19 -0.136 6.149 -21.563 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.692 6.157 -20.243 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.877 5.144 -22.430 1.00 0.00 C ATOM 0 H THR A 19 0.798 4.461 -19.990 1.00 0.00 H new ATOM 0 HA THR A 19 1.692 5.415 -22.449 1.00 0.00 H new ATOM 0 HB THR A 19 -0.249 7.135 -22.013 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.645 5.255 -19.863 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.935 5.403 -22.464 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.467 5.162 -23.440 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.761 4.145 -22.009 1.00 0.00 H new ATOM 292 N SER A 20 2.212 7.482 -19.944 1.00 0.00 N ATOM 293 CA SER A 20 2.954 8.663 -19.554 1.00 0.00 C ATOM 294 C SER A 20 4.138 8.289 -18.672 1.00 0.00 C ATOM 295 O SER A 20 4.025 7.445 -17.782 1.00 0.00 O ATOM 296 CB SER A 20 2.029 9.654 -18.847 1.00 0.00 C ATOM 297 OG SER A 20 1.161 8.987 -17.946 1.00 0.00 O ATOM 0 H SER A 20 1.759 6.992 -19.173 1.00 0.00 H new ATOM 0 HA SER A 20 3.348 9.142 -20.450 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.624 10.390 -18.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.442 10.200 -19.586 1.00 0.00 H new ATOM 0 HG SER A 20 0.581 9.642 -17.505 1.00 0.00 H new ATOM 303 N SER A 21 5.284 8.893 -18.951 1.00 0.00 N ATOM 304 CA SER A 21 6.506 8.617 -18.214 1.00 0.00 C ATOM 305 C SER A 21 7.480 9.779 -18.365 1.00 0.00 C ATOM 306 O SER A 21 7.387 10.554 -19.321 1.00 0.00 O ATOM 307 CB SER A 21 7.160 7.329 -18.730 1.00 0.00 C ATOM 308 OG SER A 21 6.299 6.212 -18.577 1.00 0.00 O ATOM 0 H SER A 21 5.392 9.586 -19.692 1.00 0.00 H new ATOM 0 HA SER A 21 6.255 8.491 -17.161 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.420 7.448 -19.782 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.090 7.150 -18.190 1.00 0.00 H new ATOM 0 HG SER A 21 5.466 6.498 -18.148 1.00 0.00 H new ATOM 314 N ASP A 22 8.399 9.907 -17.420 1.00 0.00 N ATOM 315 CA ASP A 22 9.457 10.900 -17.520 1.00 0.00 C ATOM 316 C ASP A 22 10.810 10.208 -17.534 1.00 0.00 C ATOM 317 O ASP A 22 10.966 9.125 -16.972 1.00 0.00 O ATOM 318 CB ASP A 22 9.386 11.905 -16.366 1.00 0.00 C ATOM 319 CG ASP A 22 10.536 12.897 -16.397 1.00 0.00 C ATOM 320 OD1 ASP A 22 10.687 13.610 -17.410 1.00 0.00 O ATOM 321 OD2 ASP A 22 11.300 12.959 -15.412 1.00 0.00 O ATOM 0 H ASP A 22 8.433 9.336 -16.576 1.00 0.00 H new ATOM 0 HA ASP A 22 9.324 11.452 -18.450 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.441 12.446 -16.415 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.397 11.368 -15.418 1.00 0.00 H new ATOM 326 N GLU A 23 11.780 10.830 -18.184 1.00 0.00 N ATOM 327 CA GLU A 23 13.108 10.253 -18.322 1.00 0.00 C ATOM 328 C GLU A 23 13.784 10.115 -16.956 1.00 0.00 C ATOM 329 O GLU A 23 14.415 9.100 -16.663 1.00 0.00 O ATOM 330 CB GLU A 23 13.952 11.134 -19.244 1.00 0.00 C ATOM 331 CG GLU A 23 14.734 10.365 -20.295 1.00 0.00 C ATOM 332 CD GLU A 23 15.715 9.380 -19.702 1.00 0.00 C ATOM 333 OE1 GLU A 23 16.691 9.823 -19.055 1.00 0.00 O ATOM 334 OE2 GLU A 23 15.526 8.161 -19.888 1.00 0.00 O ATOM 0 H GLU A 23 11.671 11.742 -18.628 1.00 0.00 H new ATOM 0 HA GLU A 23 13.017 9.257 -18.756 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.298 11.848 -19.744 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.650 11.711 -18.638 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.036 9.830 -20.939 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.274 11.071 -20.926 1.00 0.00 H new ATOM 341 N LYS A 24 13.629 11.133 -16.117 1.00 0.00 N ATOM 342 CA LYS A 24 14.266 11.144 -14.804 1.00 0.00 C ATOM 343 C LYS A 24 13.294 10.692 -13.720 1.00 0.00 C ATOM 344 O LYS A 24 13.656 10.581 -12.549 1.00 0.00 O ATOM 345 CB LYS A 24 14.820 12.537 -14.478 1.00 0.00 C ATOM 346 CG LYS A 24 16.115 12.872 -15.210 1.00 0.00 C ATOM 347 CD LYS A 24 15.898 13.056 -16.704 1.00 0.00 C ATOM 348 CE LYS A 24 17.214 13.035 -17.466 1.00 0.00 C ATOM 349 NZ LYS A 24 17.844 11.685 -17.455 1.00 0.00 N ATOM 0 H LYS A 24 13.069 11.960 -16.322 1.00 0.00 H new ATOM 0 HA LYS A 24 15.097 10.440 -14.832 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.068 13.285 -14.729 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.992 12.607 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.542 13.783 -14.791 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.840 12.075 -15.045 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.247 12.266 -17.078 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.387 14.002 -16.885 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.041 13.346 -18.496 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.900 13.759 -17.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.694 11.693 -18.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.110 11.434 -16.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.169 10.984 -17.821 1.00 0.00 H new ATOM 363 N HIS A 25 12.056 10.441 -14.117 1.00 0.00 N ATOM 364 CA HIS A 25 11.045 9.914 -13.209 1.00 0.00 C ATOM 365 C HIS A 25 10.297 8.779 -13.895 1.00 0.00 C ATOM 366 O HIS A 25 9.155 8.943 -14.330 1.00 0.00 O ATOM 367 CB HIS A 25 10.066 11.011 -12.776 1.00 0.00 C ATOM 368 CG HIS A 25 10.727 12.161 -12.083 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.266 13.231 -12.760 1.00 0.00 N ATOM 370 CD2 HIS A 25 10.951 12.397 -10.770 1.00 0.00 C ATOM 371 CE1 HIS A 25 11.795 14.076 -11.895 1.00 0.00 C ATOM 372 NE2 HIS A 25 11.617 13.594 -10.677 1.00 0.00 N ATOM 0 H HIS A 25 11.724 10.595 -15.069 1.00 0.00 H new ATOM 0 HA HIS A 25 11.539 9.538 -12.313 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.537 11.382 -13.654 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.318 10.578 -12.112 1.00 0.00 H new ATOM 0 HD1 HIS A 25 11.258 13.352 -13.773 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.660 11.761 -9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 25 12.290 15.004 -12.141 1.00 0.00 H new ATOM 380 N PRO A 26 10.956 7.621 -14.035 1.00 0.00 N ATOM 381 CA PRO A 26 10.417 6.493 -14.777 1.00 0.00 C ATOM 382 C PRO A 26 9.565 5.562 -13.917 1.00 0.00 C ATOM 383 O PRO A 26 9.847 5.353 -12.733 1.00 0.00 O ATOM 384 CB PRO A 26 11.683 5.780 -15.245 1.00 0.00 C ATOM 385 CG PRO A 26 12.686 6.028 -14.164 1.00 0.00 C ATOM 386 CD PRO A 26 12.290 7.316 -13.481 1.00 0.00 C ATOM 0 HA PRO A 26 9.747 6.807 -15.577 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.507 4.713 -15.384 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.027 6.173 -16.201 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.698 5.202 -13.453 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.690 6.105 -14.580 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.255 7.199 -12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.001 8.114 -13.692 1.00 0.00 H new ATOM 394 N PRO A 27 8.513 4.977 -14.511 1.00 0.00 N ATOM 395 CA PRO A 27 7.670 3.992 -13.829 1.00 0.00 C ATOM 396 C PRO A 27 8.451 2.720 -13.509 1.00 0.00 C ATOM 397 O PRO A 27 8.004 1.878 -12.732 1.00 0.00 O ATOM 398 CB PRO A 27 6.548 3.705 -14.832 1.00 0.00 C ATOM 399 CG PRO A 27 7.086 4.125 -16.156 1.00 0.00 C ATOM 400 CD PRO A 27 8.061 5.237 -15.887 1.00 0.00 C ATOM 0 HA PRO A 27 7.297 4.358 -12.872 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.282 2.648 -14.833 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.644 4.260 -14.581 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.577 3.291 -16.657 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.283 4.463 -16.811 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.892 5.220 -16.592 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.588 6.215 -15.975 1.00 0.00 H new ATOM 408 N GLU A 28 9.632 2.607 -14.107 1.00 0.00 N ATOM 409 CA GLU A 28 10.543 1.501 -13.841 1.00 0.00 C ATOM 410 C GLU A 28 10.944 1.483 -12.371 1.00 0.00 C ATOM 411 O GLU A 28 11.267 0.439 -11.814 1.00 0.00 O ATOM 412 CB GLU A 28 11.795 1.638 -14.708 1.00 0.00 C ATOM 413 CG GLU A 28 11.500 1.747 -16.193 1.00 0.00 C ATOM 414 CD GLU A 28 12.738 2.049 -17.010 1.00 0.00 C ATOM 415 OE1 GLU A 28 13.044 3.244 -17.213 1.00 0.00 O ATOM 416 OE2 GLU A 28 13.410 1.096 -17.449 1.00 0.00 O ATOM 0 H GLU A 28 9.984 3.279 -14.789 1.00 0.00 H new ATOM 0 HA GLU A 28 10.033 0.568 -14.081 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.351 2.521 -14.391 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.441 0.777 -14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.057 0.814 -16.542 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.761 2.531 -16.357 1.00 0.00 H new ATOM 423 N ASN A 29 10.910 2.650 -11.744 1.00 0.00 N ATOM 424 CA ASN A 29 11.295 2.778 -10.347 1.00 0.00 C ATOM 425 C ASN A 29 10.095 2.652 -9.416 1.00 0.00 C ATOM 426 O ASN A 29 10.232 2.762 -8.198 1.00 0.00 O ATOM 427 CB ASN A 29 12.043 4.090 -10.105 1.00 0.00 C ATOM 428 CG ASN A 29 13.521 3.973 -10.438 1.00 0.00 C ATOM 429 OD1 ASN A 29 13.922 3.169 -11.279 1.00 0.00 O ATOM 430 ND2 ASN A 29 14.343 4.778 -9.784 1.00 0.00 N ATOM 0 H ASN A 29 10.619 3.524 -12.183 1.00 0.00 H new ATOM 0 HA ASN A 29 11.970 1.954 -10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.596 4.879 -10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.929 4.385 -9.062 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.345 4.745 -9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.974 5.432 -9.093 1.00 0.00 H new ATOM 437 N ILE A 30 8.918 2.409 -9.986 1.00 0.00 N ATOM 438 CA ILE A 30 7.734 2.126 -9.179 1.00 0.00 C ATOM 439 C ILE A 30 7.867 0.743 -8.552 1.00 0.00 C ATOM 440 O ILE A 30 7.532 0.537 -7.386 1.00 0.00 O ATOM 441 CB ILE A 30 6.430 2.200 -10.010 1.00 0.00 C ATOM 442 CG1 ILE A 30 6.186 3.633 -10.492 1.00 0.00 C ATOM 443 CG2 ILE A 30 5.241 1.700 -9.198 1.00 0.00 C ATOM 444 CD1 ILE A 30 4.909 3.798 -11.292 1.00 0.00 C ATOM 0 H ILE A 30 8.759 2.402 -10.993 1.00 0.00 H new ATOM 0 HA ILE A 30 7.670 2.888 -8.403 1.00 0.00 H new ATOM 0 HB ILE A 30 6.542 1.554 -10.881 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.151 4.297 -9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.031 3.950 -11.103 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.336 1.761 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.411 0.664 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.124 2.316 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.804 4.839 -11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.948 3.161 -12.176 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.055 3.513 -10.677 1.00 0.00 H new ATOM 456 N ILE A 31 8.382 -0.199 -9.334 1.00 0.00 N ATOM 457 CA ILE A 31 8.651 -1.543 -8.839 1.00 0.00 C ATOM 458 C ILE A 31 9.941 -1.558 -8.024 1.00 0.00 C ATOM 459 O ILE A 31 10.244 -2.521 -7.321 1.00 0.00 O ATOM 460 CB ILE A 31 8.750 -2.570 -9.990 1.00 0.00 C ATOM 461 CG1 ILE A 31 9.764 -2.107 -11.041 1.00 0.00 C ATOM 462 CG2 ILE A 31 7.382 -2.797 -10.619 1.00 0.00 C ATOM 463 CD1 ILE A 31 9.918 -3.056 -12.212 1.00 0.00 C ATOM 0 H ILE A 31 8.622 -0.056 -10.315 1.00 0.00 H new ATOM 0 HA ILE A 31 7.813 -1.830 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 31 9.098 -3.518 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.461 -1.130 -11.417 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.734 -1.978 -10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.469 -3.523 -11.428 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.693 -3.176 -9.864 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.003 -1.855 -11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.653 -2.656 -12.910 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.252 -4.029 -11.851 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.959 -3.167 -12.719 1.00 0.00 H new ATOM 475 N ASP A 32 10.695 -0.475 -8.131 1.00 0.00 N ATOM 476 CA ASP A 32 11.922 -0.301 -7.363 1.00 0.00 C ATOM 477 C ASP A 32 11.569 -0.088 -5.897 1.00 0.00 C ATOM 478 O ASP A 32 12.025 -0.826 -5.022 1.00 0.00 O ATOM 479 CB ASP A 32 12.714 0.890 -7.911 1.00 0.00 C ATOM 480 CG ASP A 32 14.040 1.095 -7.216 1.00 0.00 C ATOM 481 OD1 ASP A 32 15.048 0.511 -7.673 1.00 0.00 O ATOM 482 OD2 ASP A 32 14.086 1.855 -6.229 1.00 0.00 O ATOM 0 H ASP A 32 10.477 0.306 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 32 12.543 -1.192 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.889 0.742 -8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.114 1.794 -7.809 1.00 0.00 H new ATOM 487 N GLY A 33 10.747 0.922 -5.640 1.00 0.00 N ATOM 488 CA GLY A 33 10.172 1.096 -4.320 1.00 0.00 C ATOM 489 C GLY A 33 10.954 2.035 -3.423 1.00 0.00 C ATOM 490 O GLY A 33 10.570 2.249 -2.271 1.00 0.00 O ATOM 0 H GLY A 33 10.468 1.625 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.155 1.474 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.101 0.122 -3.835 1.00 0.00 H new ATOM 494 N ASN A 34 12.049 2.592 -3.921 1.00 0.00 N ATOM 495 CA ASN A 34 12.835 3.531 -3.128 1.00 0.00 C ATOM 496 C ASN A 34 12.327 4.955 -3.317 1.00 0.00 C ATOM 497 O ASN A 34 11.937 5.342 -4.418 1.00 0.00 O ATOM 498 CB ASN A 34 14.326 3.444 -3.476 1.00 0.00 C ATOM 499 CG ASN A 34 14.962 2.159 -2.983 1.00 0.00 C ATOM 500 OD1 ASN A 34 15.420 2.077 -1.841 1.00 0.00 O ATOM 501 ND2 ASN A 34 15.011 1.153 -3.840 1.00 0.00 N ATOM 0 H ASN A 34 12.411 2.414 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 34 12.718 3.257 -2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.449 3.515 -4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.848 4.295 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.439 0.269 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.621 1.261 -4.776 1.00 0.00 H new ATOM 508 N PRO A 35 12.345 5.762 -2.243 1.00 0.00 N ATOM 509 CA PRO A 35 11.802 7.131 -2.243 1.00 0.00 C ATOM 510 C PRO A 35 12.668 8.133 -3.014 1.00 0.00 C ATOM 511 O PRO A 35 12.556 9.343 -2.819 1.00 0.00 O ATOM 512 CB PRO A 35 11.763 7.492 -0.761 1.00 0.00 C ATOM 513 CG PRO A 35 12.862 6.691 -0.155 1.00 0.00 C ATOM 514 CD PRO A 35 12.903 5.400 -0.923 1.00 0.00 C ATOM 0 HA PRO A 35 10.834 7.173 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.919 8.560 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.799 7.244 -0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.814 7.218 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.675 6.510 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.920 5.017 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.311 4.625 -0.436 1.00 0.00 H new ATOM 522 N GLU A 36 13.533 7.622 -3.876 1.00 0.00 N ATOM 523 CA GLU A 36 14.401 8.467 -4.682 1.00 0.00 C ATOM 524 C GLU A 36 13.611 9.173 -5.773 1.00 0.00 C ATOM 525 O GLU A 36 13.624 10.399 -5.876 1.00 0.00 O ATOM 526 CB GLU A 36 15.514 7.626 -5.308 1.00 0.00 C ATOM 527 CG GLU A 36 16.538 7.138 -4.303 1.00 0.00 C ATOM 528 CD GLU A 36 17.302 8.281 -3.676 1.00 0.00 C ATOM 529 OE1 GLU A 36 18.256 8.774 -4.311 1.00 0.00 O ATOM 530 OE2 GLU A 36 16.943 8.702 -2.558 1.00 0.00 O ATOM 0 H GLU A 36 13.653 6.622 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 36 14.841 9.223 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.071 6.766 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.019 8.216 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.037 6.565 -3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.236 6.462 -4.796 1.00 0.00 H new ATOM 537 N THR A 37 12.912 8.391 -6.577 1.00 0.00 N ATOM 538 CA THR A 37 12.179 8.922 -7.712 1.00 0.00 C ATOM 539 C THR A 37 10.760 8.378 -7.740 1.00 0.00 C ATOM 540 O THR A 37 10.560 7.161 -7.765 1.00 0.00 O ATOM 541 CB THR A 37 12.875 8.550 -9.033 1.00 0.00 C ATOM 542 OG1 THR A 37 13.098 7.135 -9.064 1.00 0.00 O ATOM 543 CG2 THR A 37 14.199 9.284 -9.188 1.00 0.00 C ATOM 0 H THR A 37 12.837 7.380 -6.463 1.00 0.00 H new ATOM 0 HA THR A 37 12.152 10.006 -7.605 1.00 0.00 H new ATOM 0 HB THR A 37 12.230 8.846 -9.860 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.306 6.671 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.665 8.999 -10.131 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.022 10.359 -9.181 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.860 9.020 -8.363 1.00 0.00 H new ATOM 551 N PHE A 38 9.784 9.271 -7.727 1.00 0.00 N ATOM 552 CA PHE A 38 8.395 8.864 -7.863 1.00 0.00 C ATOM 553 C PHE A 38 7.909 9.165 -9.276 1.00 0.00 C ATOM 554 O PHE A 38 8.546 9.927 -10.009 1.00 0.00 O ATOM 555 CB PHE A 38 7.505 9.551 -6.815 1.00 0.00 C ATOM 556 CG PHE A 38 7.422 11.050 -6.939 1.00 0.00 C ATOM 557 CD1 PHE A 38 6.459 11.640 -7.744 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.300 11.866 -6.244 1.00 0.00 C ATOM 559 CE1 PHE A 38 6.376 13.014 -7.854 1.00 0.00 C ATOM 560 CE2 PHE A 38 8.221 13.241 -6.352 1.00 0.00 C ATOM 561 CZ PHE A 38 7.257 13.816 -7.158 1.00 0.00 C ATOM 0 H PHE A 38 9.926 10.276 -7.624 1.00 0.00 H new ATOM 0 HA PHE A 38 8.328 7.790 -7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.499 9.139 -6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.880 9.303 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.766 11.018 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.054 11.422 -5.611 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.622 13.461 -8.485 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.912 13.866 -5.807 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.193 14.891 -7.243 1.00 0.00 H new ATOM 571 N TRP A 39 6.790 8.573 -9.654 1.00 0.00 N ATOM 572 CA TRP A 39 6.267 8.736 -10.999 1.00 0.00 C ATOM 573 C TRP A 39 5.373 9.967 -11.088 1.00 0.00 C ATOM 574 O TRP A 39 4.466 10.159 -10.274 1.00 0.00 O ATOM 575 CB TRP A 39 5.494 7.484 -11.429 1.00 0.00 C ATOM 576 CG TRP A 39 4.878 7.590 -12.796 1.00 0.00 C ATOM 577 CD1 TRP A 39 5.469 7.297 -13.993 1.00 0.00 C ATOM 578 CD2 TRP A 39 3.545 8.020 -13.102 1.00 0.00 C ATOM 579 NE1 TRP A 39 4.586 7.521 -15.022 1.00 0.00 N ATOM 580 CE2 TRP A 39 3.401 7.968 -14.500 1.00 0.00 C ATOM 581 CE3 TRP A 39 2.463 8.448 -12.328 1.00 0.00 C ATOM 582 CZ2 TRP A 39 2.216 8.323 -15.137 1.00 0.00 C ATOM 583 CZ3 TRP A 39 1.289 8.800 -12.964 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.175 8.739 -14.356 1.00 0.00 C ATOM 0 H TRP A 39 6.226 7.976 -9.049 1.00 0.00 H new ATOM 0 HA TRP A 39 7.110 8.876 -11.676 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.168 6.628 -11.410 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.707 7.286 -10.701 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.482 6.941 -14.113 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.781 7.378 -16.013 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.544 8.502 -11.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.122 8.271 -16.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.445 9.128 -12.376 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.245 9.027 -14.824 1.00 0.00 H new ATOM 595 N THR A 40 5.648 10.793 -12.080 1.00 0.00 N ATOM 596 CA THR A 40 4.836 11.956 -12.364 1.00 0.00 C ATOM 597 C THR A 40 4.542 12.000 -13.858 1.00 0.00 C ATOM 598 O THR A 40 5.340 11.527 -14.671 1.00 0.00 O ATOM 599 CB THR A 40 5.526 13.260 -11.902 1.00 0.00 C ATOM 600 OG1 THR A 40 4.665 14.384 -12.124 1.00 0.00 O ATOM 601 CG2 THR A 40 6.849 13.474 -12.626 1.00 0.00 C ATOM 0 H THR A 40 6.441 10.675 -12.710 1.00 0.00 H new ATOM 0 HA THR A 40 3.902 11.878 -11.807 1.00 0.00 H new ATOM 0 HB THR A 40 5.731 13.167 -10.836 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.113 15.203 -11.826 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.309 14.399 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.516 12.637 -12.419 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.670 13.539 -13.699 1.00 0.00 H new ATOM 609 N THR A 41 3.394 12.541 -14.215 1.00 0.00 N ATOM 610 CA THR A 41 2.955 12.543 -15.598 1.00 0.00 C ATOM 611 C THR A 41 3.468 13.771 -16.342 1.00 0.00 C ATOM 612 O THR A 41 3.866 14.767 -15.734 1.00 0.00 O ATOM 613 CB THR A 41 1.415 12.485 -15.692 1.00 0.00 C ATOM 614 OG1 THR A 41 0.987 12.501 -17.063 1.00 0.00 O ATOM 615 CG2 THR A 41 0.775 13.645 -14.946 1.00 0.00 C ATOM 0 H THR A 41 2.746 12.986 -13.565 1.00 0.00 H new ATOM 0 HA THR A 41 3.372 11.652 -16.068 1.00 0.00 H new ATOM 0 HB THR A 41 1.095 11.552 -15.229 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.143 12.010 -17.148 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.310 13.577 -15.030 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.061 13.604 -13.895 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.114 14.587 -15.378 1.00 0.00 H new ATOM 623 N THR A 42 3.454 13.686 -17.664 1.00 0.00 N ATOM 624 CA THR A 42 3.849 14.791 -18.513 1.00 0.00 C ATOM 625 C THR A 42 2.672 15.752 -18.704 1.00 0.00 C ATOM 626 O THR A 42 2.814 16.823 -19.294 1.00 0.00 O ATOM 627 CB THR A 42 4.316 14.270 -19.884 1.00 0.00 C ATOM 628 OG1 THR A 42 4.926 12.980 -19.724 1.00 0.00 O ATOM 629 CG2 THR A 42 5.312 15.227 -20.521 1.00 0.00 C ATOM 0 H THR A 42 3.169 12.850 -18.174 1.00 0.00 H new ATOM 0 HA THR A 42 4.673 15.320 -18.034 1.00 0.00 H new ATOM 0 HB THR A 42 3.447 14.192 -20.537 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.222 12.647 -20.597 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.626 14.835 -21.488 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.843 16.201 -20.659 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.182 15.332 -19.873 1.00 0.00 H new ATOM 637 N GLY A 43 1.508 15.350 -18.201 1.00 0.00 N ATOM 638 CA GLY A 43 0.322 16.177 -18.312 1.00 0.00 C ATOM 639 C GLY A 43 -0.593 15.723 -19.431 1.00 0.00 C ATOM 640 O GLY A 43 -1.345 16.520 -19.993 1.00 0.00 O ATOM 0 H GLY A 43 1.366 14.463 -17.717 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.223 16.155 -17.368 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.618 17.212 -18.485 1.00 0.00 H new ATOM 644 N MET A 44 -0.536 14.439 -19.753 1.00 0.00 N ATOM 645 CA MET A 44 -1.346 13.886 -20.830 1.00 0.00 C ATOM 646 C MET A 44 -2.430 12.969 -20.274 1.00 0.00 C ATOM 647 O MET A 44 -2.144 11.869 -19.803 1.00 0.00 O ATOM 648 CB MET A 44 -0.465 13.122 -21.824 1.00 0.00 C ATOM 649 CG MET A 44 -1.235 12.549 -23.006 1.00 0.00 C ATOM 650 SD MET A 44 -0.173 11.680 -24.176 1.00 0.00 S ATOM 651 CE MET A 44 0.479 10.372 -23.137 1.00 0.00 C ATOM 0 H MET A 44 0.063 13.760 -19.284 1.00 0.00 H new ATOM 0 HA MET A 44 -1.828 14.712 -21.352 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.311 13.790 -22.196 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.038 12.309 -21.300 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.999 11.865 -22.638 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.753 13.357 -23.523 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.853 9.562 -23.763 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.292 10.764 -22.526 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.312 9.994 -22.489 1.00 0.00 H new ATOM 661 N PHE A 45 -3.667 13.444 -20.314 1.00 0.00 N ATOM 662 CA PHE A 45 -4.806 12.658 -19.860 1.00 0.00 C ATOM 663 C PHE A 45 -5.632 12.187 -21.054 1.00 0.00 C ATOM 664 O PHE A 45 -5.745 12.897 -22.056 1.00 0.00 O ATOM 665 CB PHE A 45 -5.685 13.480 -18.913 1.00 0.00 C ATOM 666 CG PHE A 45 -4.997 13.861 -17.634 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.905 12.957 -16.588 1.00 0.00 C ATOM 668 CD2 PHE A 45 -4.445 15.121 -17.476 1.00 0.00 C ATOM 669 CE1 PHE A 45 -4.272 13.301 -15.409 1.00 0.00 C ATOM 670 CE2 PHE A 45 -3.811 15.472 -16.301 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.725 14.561 -15.265 1.00 0.00 C ATOM 0 H PHE A 45 -3.908 14.374 -20.658 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.429 11.789 -19.322 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.009 14.386 -19.426 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.583 12.909 -18.677 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.333 11.971 -16.696 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.511 15.838 -18.281 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.205 12.586 -14.602 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.383 16.457 -16.191 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.231 14.834 -14.344 1.00 0.00 H new ATOM 681 N PRO A 46 -6.228 10.987 -20.968 1.00 0.00 N ATOM 682 CA PRO A 46 -6.111 10.106 -19.809 1.00 0.00 C ATOM 683 C PRO A 46 -4.815 9.304 -19.832 1.00 0.00 C ATOM 684 O PRO A 46 -4.239 9.064 -20.895 1.00 0.00 O ATOM 685 CB PRO A 46 -7.318 9.162 -19.940 1.00 0.00 C ATOM 686 CG PRO A 46 -8.048 9.585 -21.180 1.00 0.00 C ATOM 687 CD PRO A 46 -7.077 10.388 -21.995 1.00 0.00 C ATOM 0 HA PRO A 46 -6.096 10.667 -18.875 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.994 8.124 -20.014 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.964 9.232 -19.065 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.398 8.717 -21.739 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.927 10.178 -20.929 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.506 9.762 -22.680 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.580 11.144 -22.598 1.00 0.00 H new ATOM 695 N GLN A 47 -4.369 8.887 -18.661 1.00 0.00 N ATOM 696 CA GLN A 47 -3.116 8.162 -18.541 1.00 0.00 C ATOM 697 C GLN A 47 -3.347 6.797 -17.914 1.00 0.00 C ATOM 698 O GLN A 47 -4.288 6.609 -17.146 1.00 0.00 O ATOM 699 CB GLN A 47 -2.125 8.974 -17.711 1.00 0.00 C ATOM 700 CG GLN A 47 -2.652 9.348 -16.338 1.00 0.00 C ATOM 701 CD GLN A 47 -1.810 10.407 -15.669 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.219 11.252 -16.335 1.00 0.00 O ATOM 703 NE2 GLN A 47 -1.749 10.371 -14.348 1.00 0.00 N ATOM 0 H GLN A 47 -4.856 9.038 -17.778 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.699 8.011 -19.537 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.205 8.401 -17.595 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.868 9.884 -18.253 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.677 9.707 -16.430 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.681 8.459 -15.708 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.256 9.651 -13.833 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.195 11.063 -13.844 1.00 0.00 H new ATOM 712 N GLU A 48 -2.487 5.849 -18.243 1.00 0.00 N ATOM 713 CA GLU A 48 -2.622 4.486 -17.750 1.00 0.00 C ATOM 714 C GLU A 48 -1.282 3.759 -17.766 1.00 0.00 C ATOM 715 O GLU A 48 -0.432 4.017 -18.626 1.00 0.00 O ATOM 716 CB GLU A 48 -3.622 3.711 -18.608 1.00 0.00 C ATOM 717 CG GLU A 48 -3.256 3.700 -20.083 1.00 0.00 C ATOM 718 CD GLU A 48 -3.458 2.348 -20.726 1.00 0.00 C ATOM 719 OE1 GLU A 48 -3.296 1.325 -20.035 1.00 0.00 O ATOM 720 OE2 GLU A 48 -3.775 2.298 -21.934 1.00 0.00 O ATOM 0 H GLU A 48 -1.683 5.998 -18.853 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.980 4.540 -16.722 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.683 2.684 -18.247 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.612 4.151 -18.488 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.859 4.441 -20.608 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.214 3.999 -20.196 1.00 0.00 H new ATOM 727 N PHE A 49 -1.100 2.858 -16.814 1.00 0.00 N ATOM 728 CA PHE A 49 0.066 1.984 -16.785 1.00 0.00 C ATOM 729 C PHE A 49 -0.329 0.622 -16.229 1.00 0.00 C ATOM 730 O PHE A 49 -1.169 0.535 -15.330 1.00 0.00 O ATOM 731 CB PHE A 49 1.216 2.606 -15.974 1.00 0.00 C ATOM 732 CG PHE A 49 0.853 3.031 -14.573 1.00 0.00 C ATOM 733 CD1 PHE A 49 0.370 4.308 -14.326 1.00 0.00 C ATOM 734 CD2 PHE A 49 1.007 2.160 -13.504 1.00 0.00 C ATOM 735 CE1 PHE A 49 0.044 4.706 -13.043 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.685 2.554 -12.220 1.00 0.00 C ATOM 737 CZ PHE A 49 0.202 3.828 -11.989 1.00 0.00 C ATOM 0 H PHE A 49 -1.751 2.711 -16.043 1.00 0.00 H new ATOM 0 HA PHE A 49 0.430 1.856 -17.804 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.032 1.886 -15.919 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.593 3.474 -16.514 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.247 5.000 -15.146 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.383 1.163 -13.678 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.334 5.702 -12.865 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.811 1.867 -11.397 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.052 4.137 -10.986 1.00 0.00 H new ATOM 747 N ILE A 50 0.250 -0.438 -16.778 1.00 0.00 N ATOM 748 CA ILE A 50 -0.118 -1.789 -16.382 1.00 0.00 C ATOM 749 C ILE A 50 1.027 -2.449 -15.626 1.00 0.00 C ATOM 750 O ILE A 50 2.186 -2.343 -16.025 1.00 0.00 O ATOM 751 CB ILE A 50 -0.494 -2.655 -17.608 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.569 -1.955 -18.448 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.979 -4.030 -17.164 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.924 -2.692 -19.723 1.00 0.00 C ATOM 0 H ILE A 50 0.973 -0.388 -17.496 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.990 -1.715 -15.732 1.00 0.00 H new ATOM 0 HB ILE A 50 0.397 -2.786 -18.223 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.469 -1.837 -17.845 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.223 -0.953 -18.703 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.239 -4.625 -18.040 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.189 -4.532 -16.606 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.857 -3.918 -16.528 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.690 -2.136 -20.263 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.036 -2.787 -20.348 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.302 -3.684 -19.477 1.00 0.00 H new ATOM 766 N ILE A 51 0.706 -3.103 -14.525 1.00 0.00 N ATOM 767 CA ILE A 51 1.709 -3.801 -13.742 1.00 0.00 C ATOM 768 C ILE A 51 1.474 -5.307 -13.809 1.00 0.00 C ATOM 769 O ILE A 51 0.417 -5.803 -13.412 1.00 0.00 O ATOM 770 CB ILE A 51 1.703 -3.345 -12.266 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.685 -1.814 -12.177 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.927 -3.900 -11.549 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.585 -1.286 -10.761 1.00 0.00 C ATOM 0 H ILE A 51 -0.242 -3.166 -14.153 1.00 0.00 H new ATOM 0 HA ILE A 51 2.682 -3.559 -14.169 1.00 0.00 H new ATOM 0 HB ILE A 51 0.804 -3.728 -11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.591 -1.422 -12.638 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.843 -1.435 -12.757 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.918 -3.575 -10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.910 -4.989 -11.589 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.831 -3.533 -12.035 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.578 -0.196 -10.779 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.665 -1.648 -10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.440 -1.634 -10.182 1.00 0.00 H new ATOM 785 N CYS A 52 2.456 -6.017 -14.338 1.00 0.00 N ATOM 786 CA CYS A 52 2.392 -7.461 -14.466 1.00 0.00 C ATOM 787 C CYS A 52 3.035 -8.122 -13.255 1.00 0.00 C ATOM 788 O CYS A 52 4.167 -7.798 -12.900 1.00 0.00 O ATOM 789 CB CYS A 52 3.133 -7.904 -15.729 1.00 0.00 C ATOM 790 SG CYS A 52 2.770 -6.910 -17.191 1.00 0.00 S ATOM 0 H CYS A 52 3.321 -5.607 -14.691 1.00 0.00 H new ATOM 0 HA CYS A 52 1.346 -7.760 -14.530 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.206 -7.869 -15.538 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.880 -8.943 -15.939 1.00 0.00 H new ATOM 0 HG CYS A 52 1.669 -7.330 -17.739 1.00 0.00 H new ATOM 796 N PHE A 53 2.324 -9.049 -12.631 1.00 0.00 N ATOM 797 CA PHE A 53 2.864 -9.773 -11.486 1.00 0.00 C ATOM 798 C PHE A 53 3.850 -10.848 -11.929 1.00 0.00 C ATOM 799 O PHE A 53 4.736 -11.232 -11.169 1.00 0.00 O ATOM 800 CB PHE A 53 1.740 -10.407 -10.666 1.00 0.00 C ATOM 801 CG PHE A 53 0.910 -9.406 -9.911 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.346 -8.908 -8.694 1.00 0.00 C ATOM 803 CD2 PHE A 53 -0.301 -8.965 -10.416 1.00 0.00 C ATOM 804 CE1 PHE A 53 0.590 -7.987 -7.996 1.00 0.00 C ATOM 805 CE2 PHE A 53 -1.063 -8.046 -9.722 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.616 -7.556 -8.510 1.00 0.00 C ATOM 0 H PHE A 53 1.376 -9.318 -12.895 1.00 0.00 H new ATOM 0 HA PHE A 53 3.394 -9.053 -10.863 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.092 -10.976 -11.332 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.172 -11.116 -9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.288 -9.244 -8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.654 -9.344 -11.364 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.942 -7.605 -7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.007 -7.711 -10.126 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.210 -6.837 -7.966 1.00 0.00 H new ATOM 816 N HIS A 54 3.670 -11.341 -13.160 1.00 0.00 N ATOM 817 CA HIS A 54 4.534 -12.388 -13.734 1.00 0.00 C ATOM 818 C HIS A 54 4.336 -13.731 -13.037 1.00 0.00 C ATOM 819 O HIS A 54 4.977 -14.717 -13.390 1.00 0.00 O ATOM 820 CB HIS A 54 6.017 -11.995 -13.672 1.00 0.00 C ATOM 821 CG HIS A 54 6.489 -11.182 -14.836 1.00 0.00 C ATOM 822 ND1 HIS A 54 7.766 -11.272 -15.345 1.00 0.00 N ATOM 823 CD2 HIS A 54 5.849 -10.264 -15.596 1.00 0.00 C ATOM 824 CE1 HIS A 54 7.893 -10.446 -16.363 1.00 0.00 C ATOM 825 NE2 HIS A 54 6.744 -9.824 -16.538 1.00 0.00 N ATOM 0 H HIS A 54 2.927 -11.030 -13.786 1.00 0.00 H new ATOM 0 HA HIS A 54 4.240 -12.490 -14.779 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.193 -11.432 -12.756 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.619 -12.902 -13.610 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.825 -9.939 -15.482 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.786 -10.303 -16.953 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.551 -9.128 -17.258 1.00 0.00 H new ATOM 833 N LYS A 55 3.436 -13.772 -12.067 1.00 0.00 N ATOM 834 CA LYS A 55 3.224 -14.973 -11.283 1.00 0.00 C ATOM 835 C LYS A 55 1.784 -15.062 -10.802 1.00 0.00 C ATOM 836 O LYS A 55 0.951 -14.223 -11.150 1.00 0.00 O ATOM 837 CB LYS A 55 4.189 -14.996 -10.097 1.00 0.00 C ATOM 838 CG LYS A 55 4.065 -13.799 -9.169 1.00 0.00 C ATOM 839 CD LYS A 55 5.205 -13.781 -8.168 1.00 0.00 C ATOM 840 CE LYS A 55 5.107 -12.618 -7.199 1.00 0.00 C ATOM 841 NZ LYS A 55 6.347 -12.489 -6.393 1.00 0.00 N ATOM 0 H LYS A 55 2.841 -12.985 -11.806 1.00 0.00 H new ATOM 0 HA LYS A 55 3.419 -15.839 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.019 -15.906 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.210 -15.044 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.071 -12.878 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.112 -13.837 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.208 -14.717 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.153 -13.726 -8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.930 -11.695 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.253 -12.763 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.169 -11.867 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.640 -13.428 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.102 -12.082 -6.981 1.00 0.00 H new ATOM 855 N HIS A 56 1.495 -16.076 -9.999 1.00 0.00 N ATOM 856 CA HIS A 56 0.139 -16.313 -9.527 1.00 0.00 C ATOM 857 C HIS A 56 0.008 -15.870 -8.077 1.00 0.00 C ATOM 858 O HIS A 56 0.512 -16.533 -7.168 1.00 0.00 O ATOM 859 CB HIS A 56 -0.223 -17.798 -9.657 1.00 0.00 C ATOM 860 CG HIS A 56 0.011 -18.367 -11.026 1.00 0.00 C ATOM 861 ND1 HIS A 56 1.094 -19.162 -11.332 1.00 0.00 N ATOM 862 CD2 HIS A 56 -0.700 -18.250 -12.172 1.00 0.00 C ATOM 863 CE1 HIS A 56 1.037 -19.511 -12.604 1.00 0.00 C ATOM 864 NE2 HIS A 56 -0.041 -18.971 -13.138 1.00 0.00 N ATOM 0 H HIS A 56 2.183 -16.749 -9.660 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.550 -15.732 -10.141 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.360 -18.368 -8.934 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.273 -17.930 -9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.616 -17.693 -12.303 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.753 -20.134 -13.120 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.337 -19.072 -14.109 1.00 0.00 H new ATOM 872 N VAL A 57 -0.653 -14.741 -7.862 1.00 0.00 N ATOM 873 CA VAL A 57 -0.833 -14.211 -6.519 1.00 0.00 C ATOM 874 C VAL A 57 -2.296 -13.899 -6.251 1.00 0.00 C ATOM 875 O VAL A 57 -3.128 -13.928 -7.161 1.00 0.00 O ATOM 876 CB VAL A 57 -0.012 -12.918 -6.285 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.450 -13.125 -6.646 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.607 -11.744 -7.060 1.00 0.00 C ATOM 0 H VAL A 57 -1.073 -14.176 -8.600 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.479 -14.984 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.062 -12.678 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.002 -12.201 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.868 -13.920 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.529 -13.403 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.012 -10.849 -6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.603 -11.972 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.631 -11.572 -6.730 1.00 0.00 H new ATOM 888 N ARG A 58 -2.601 -13.610 -4.999 1.00 0.00 N ATOM 889 CA ARG A 58 -3.905 -13.104 -4.628 1.00 0.00 C ATOM 890 C ARG A 58 -3.734 -11.866 -3.758 1.00 0.00 C ATOM 891 O ARG A 58 -2.861 -11.825 -2.890 1.00 0.00 O ATOM 892 CB ARG A 58 -4.732 -14.166 -3.899 1.00 0.00 C ATOM 893 CG ARG A 58 -4.117 -14.658 -2.603 1.00 0.00 C ATOM 894 CD ARG A 58 -5.168 -15.277 -1.700 1.00 0.00 C ATOM 895 NE ARG A 58 -6.171 -14.290 -1.300 1.00 0.00 N ATOM 896 CZ ARG A 58 -7.469 -14.393 -1.571 1.00 0.00 C ATOM 897 NH1 ARG A 58 -7.948 -15.482 -2.158 1.00 0.00 N ATOM 898 NH2 ARG A 58 -8.290 -13.416 -1.218 1.00 0.00 N ATOM 0 H ARG A 58 -1.955 -13.719 -4.217 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.448 -12.840 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.720 -13.757 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.876 -15.017 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.342 -15.393 -2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.634 -13.828 -2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.654 -16.104 -2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.690 -15.693 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.855 -13.471 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.320 -16.247 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.945 -15.554 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.926 -12.591 -0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.287 -13.488 -1.423 1.00 0.00 H new ATOM 912 N ILE A 59 -4.548 -10.856 -4.010 1.00 0.00 N ATOM 913 CA ILE A 59 -4.425 -9.579 -3.327 1.00 0.00 C ATOM 914 C ILE A 59 -5.461 -9.452 -2.212 1.00 0.00 C ATOM 915 O ILE A 59 -6.637 -9.770 -2.403 1.00 0.00 O ATOM 916 CB ILE A 59 -4.579 -8.412 -4.330 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.389 -8.389 -5.291 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.719 -7.075 -3.610 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.505 -7.342 -6.376 1.00 0.00 C ATOM 0 H ILE A 59 -5.308 -10.896 -4.689 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.432 -9.532 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.493 -8.571 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.477 -8.210 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.288 -9.370 -5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.825 -6.276 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.600 -7.098 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.832 -6.894 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.626 -7.385 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.399 -7.532 -6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.574 -6.354 -5.922 1.00 0.00 H new ATOM 931 N GLU A 60 -5.007 -9.007 -1.045 1.00 0.00 N ATOM 932 CA GLU A 60 -5.884 -8.797 0.102 1.00 0.00 C ATOM 933 C GLU A 60 -6.070 -7.304 0.365 1.00 0.00 C ATOM 934 O GLU A 60 -7.158 -6.858 0.736 1.00 0.00 O ATOM 935 CB GLU A 60 -5.300 -9.478 1.342 1.00 0.00 C ATOM 936 CG GLU A 60 -5.246 -10.998 1.251 1.00 0.00 C ATOM 937 CD GLU A 60 -6.585 -11.659 1.524 1.00 0.00 C ATOM 938 OE1 GLU A 60 -7.458 -11.654 0.630 1.00 0.00 O ATOM 939 OE2 GLU A 60 -6.764 -12.204 2.638 1.00 0.00 O ATOM 0 H GLU A 60 -4.028 -8.783 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.857 -9.236 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.292 -9.099 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.895 -9.198 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.902 -11.284 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.511 -11.373 1.963 1.00 0.00 H new ATOM 946 N ARG A 61 -5.001 -6.538 0.175 1.00 0.00 N ATOM 947 CA ARG A 61 -5.038 -5.097 0.393 1.00 0.00 C ATOM 948 C ARG A 61 -4.018 -4.402 -0.508 1.00 0.00 C ATOM 949 O ARG A 61 -3.004 -4.993 -0.873 1.00 0.00 O ATOM 950 CB ARG A 61 -4.747 -4.773 1.864 1.00 0.00 C ATOM 951 CG ARG A 61 -4.934 -3.305 2.219 1.00 0.00 C ATOM 952 CD ARG A 61 -4.641 -3.035 3.686 1.00 0.00 C ATOM 953 NE ARG A 61 -3.231 -3.232 4.015 1.00 0.00 N ATOM 954 CZ ARG A 61 -2.696 -2.974 5.207 1.00 0.00 C ATOM 955 NH1 ARG A 61 -3.441 -2.464 6.181 1.00 0.00 N ATOM 956 NH2 ARG A 61 -1.405 -3.209 5.408 1.00 0.00 N ATOM 0 H ARG A 61 -4.095 -6.893 -0.131 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.035 -4.733 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.400 -5.376 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.723 -5.065 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.277 -2.695 1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.957 -3.004 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.929 -2.012 3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.251 -3.694 4.303 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.616 -3.590 3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.429 -2.268 6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.026 -2.269 7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.831 -3.584 4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.987 -3.014 6.318 1.00 0.00 H new ATOM 970 N LEU A 62 -4.297 -3.162 -0.884 1.00 0.00 N ATOM 971 CA LEU A 62 -3.366 -2.378 -1.685 1.00 0.00 C ATOM 972 C LEU A 62 -3.009 -1.088 -0.962 1.00 0.00 C ATOM 973 O LEU A 62 -3.890 -0.362 -0.503 1.00 0.00 O ATOM 974 CB LEU A 62 -3.953 -2.036 -3.063 1.00 0.00 C ATOM 975 CG LEU A 62 -4.434 -3.222 -3.902 1.00 0.00 C ATOM 976 CD1 LEU A 62 -5.896 -3.521 -3.623 1.00 0.00 C ATOM 977 CD2 LEU A 62 -4.216 -2.949 -5.382 1.00 0.00 C ATOM 0 H LEU A 62 -5.162 -2.676 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.472 -2.984 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.792 -1.355 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.197 -1.496 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.849 -4.099 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.217 -4.368 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.023 -3.763 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.500 -2.648 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.563 -3.802 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.774 -2.059 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.154 -2.790 -5.570 1.00 0.00 H new ATOM 989 N VAL A 63 -1.725 -0.805 -0.857 1.00 0.00 N ATOM 990 CA VAL A 63 -1.270 0.444 -0.270 1.00 0.00 C ATOM 991 C VAL A 63 -1.115 1.492 -1.366 1.00 0.00 C ATOM 992 O VAL A 63 -0.153 1.460 -2.134 1.00 0.00 O ATOM 993 CB VAL A 63 0.072 0.280 0.476 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.494 1.591 1.128 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.024 -0.828 1.514 1.00 0.00 C ATOM 0 H VAL A 63 -0.976 -1.423 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.018 0.760 0.457 1.00 0.00 H new ATOM 0 HB VAL A 63 0.834 0.003 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.442 1.450 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.610 2.358 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.268 1.904 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.932 -0.928 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.802 -0.583 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.271 -1.768 1.021 1.00 0.00 H new ATOM 1005 N ILE A 64 -2.082 2.391 -1.459 1.00 0.00 N ATOM 1006 CA ILE A 64 -2.072 3.410 -2.496 1.00 0.00 C ATOM 1007 C ILE A 64 -1.747 4.774 -1.895 1.00 0.00 C ATOM 1008 O ILE A 64 -2.532 5.329 -1.124 1.00 0.00 O ATOM 1009 CB ILE A 64 -3.430 3.483 -3.233 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -3.874 2.086 -3.686 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -3.340 4.423 -4.428 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -2.926 1.423 -4.668 1.00 0.00 C ATOM 0 H ILE A 64 -2.883 2.436 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.303 3.135 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.174 3.874 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.977 1.447 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.860 2.161 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.305 4.462 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.070 5.422 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.581 4.059 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.311 0.440 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.841 2.038 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.944 1.314 -4.208 1.00 0.00 H new ATOM 1024 N GLN A 65 -0.578 5.297 -2.230 1.00 0.00 N ATOM 1025 CA GLN A 65 -0.155 6.595 -1.735 1.00 0.00 C ATOM 1026 C GLN A 65 0.148 7.524 -2.910 1.00 0.00 C ATOM 1027 O GLN A 65 1.197 7.416 -3.556 1.00 0.00 O ATOM 1028 CB GLN A 65 1.077 6.428 -0.841 1.00 0.00 C ATOM 1029 CG GLN A 65 1.400 7.637 0.016 1.00 0.00 C ATOM 1030 CD GLN A 65 2.562 7.376 0.957 1.00 0.00 C ATOM 1031 OE1 GLN A 65 2.811 6.238 1.356 1.00 0.00 O ATOM 1032 NE2 GLN A 65 3.270 8.428 1.332 1.00 0.00 N ATOM 0 H GLN A 65 0.096 4.840 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.955 7.039 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.924 5.567 -0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.939 6.203 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.638 8.484 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.520 7.915 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.032 9.355 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.054 8.312 1.974 1.00 0.00 H new ATOM 1041 N SER A 66 -0.782 8.424 -3.201 1.00 0.00 N ATOM 1042 CA SER A 66 -0.649 9.313 -4.346 1.00 0.00 C ATOM 1043 C SER A 66 -1.360 10.640 -4.089 1.00 0.00 C ATOM 1044 O SER A 66 -1.890 10.865 -3.002 1.00 0.00 O ATOM 1045 CB SER A 66 -1.212 8.637 -5.600 1.00 0.00 C ATOM 1046 OG SER A 66 -2.535 8.177 -5.385 1.00 0.00 O ATOM 0 H SER A 66 -1.636 8.557 -2.660 1.00 0.00 H new ATOM 0 HA SER A 66 0.409 9.523 -4.502 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.200 9.341 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.574 7.799 -5.882 1.00 0.00 H new ATOM 0 HG SER A 66 -2.870 7.752 -6.202 1.00 0.00 H new ATOM 1052 N TYR A 67 -1.352 11.514 -5.088 1.00 0.00 N ATOM 1053 CA TYR A 67 -1.978 12.826 -4.973 1.00 0.00 C ATOM 1054 C TYR A 67 -2.678 13.222 -6.269 1.00 0.00 C ATOM 1055 O TYR A 67 -2.353 12.707 -7.341 1.00 0.00 O ATOM 1056 CB TYR A 67 -0.931 13.892 -4.633 1.00 0.00 C ATOM 1057 CG TYR A 67 -0.734 14.141 -3.157 1.00 0.00 C ATOM 1058 CD1 TYR A 67 -1.604 14.966 -2.455 1.00 0.00 C ATOM 1059 CD2 TYR A 67 0.330 13.573 -2.470 1.00 0.00 C ATOM 1060 CE1 TYR A 67 -1.419 15.217 -1.110 1.00 0.00 C ATOM 1061 CE2 TYR A 67 0.519 13.815 -1.124 1.00 0.00 C ATOM 1062 CZ TYR A 67 -0.357 14.639 -0.450 1.00 0.00 C ATOM 1063 OH TYR A 67 -0.167 14.891 0.888 1.00 0.00 O ATOM 0 H TYR A 67 -0.916 11.336 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.717 12.763 -4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.024 13.594 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.220 14.829 -5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.439 15.418 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.021 12.932 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.103 15.862 -0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.348 13.361 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.025 15.121 1.303 1.00 0.00 H new ATOM 1073 N PHE A 68 -3.652 14.129 -6.143 1.00 0.00 N ATOM 1074 CA PHE A 68 -4.259 14.841 -7.280 1.00 0.00 C ATOM 1075 C PHE A 68 -5.251 13.992 -8.079 1.00 0.00 C ATOM 1076 O PHE A 68 -6.126 14.538 -8.744 1.00 0.00 O ATOM 1077 CB PHE A 68 -3.179 15.395 -8.220 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.162 16.267 -7.531 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -2.546 17.435 -6.893 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -0.821 15.910 -7.517 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -1.613 18.229 -6.255 1.00 0.00 C ATOM 1082 CE2 PHE A 68 0.115 16.701 -6.880 1.00 0.00 C ATOM 1083 CZ PHE A 68 -0.282 17.863 -6.248 1.00 0.00 C ATOM 0 H PHE A 68 -4.047 14.395 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.826 15.662 -6.841 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.665 14.562 -8.698 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.660 15.970 -9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.586 17.728 -6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.505 15.003 -8.010 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.925 19.137 -5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.155 16.411 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.447 18.484 -5.749 1.00 0.00 H new ATOM 1093 N VAL A 69 -5.118 12.676 -8.023 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.970 11.778 -8.804 1.00 0.00 C ATOM 1095 C VAL A 69 -7.455 11.953 -8.461 1.00 0.00 C ATOM 1096 O VAL A 69 -7.817 12.076 -7.293 1.00 0.00 O ATOM 1097 CB VAL A 69 -5.568 10.303 -8.571 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -6.428 9.362 -9.404 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -4.091 10.095 -8.877 1.00 0.00 C ATOM 0 H VAL A 69 -4.427 12.200 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.825 12.039 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.738 10.070 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.123 8.332 -9.220 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.475 9.485 -9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.302 9.594 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.828 9.051 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.895 10.354 -9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.491 10.731 -8.226 1.00 0.00 H new ATOM 1109 N GLN A 70 -8.307 11.996 -9.487 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.752 11.967 -9.275 1.00 0.00 C ATOM 1111 C GLN A 70 -10.258 10.538 -9.403 1.00 0.00 C ATOM 1112 O GLN A 70 -10.444 9.838 -8.413 1.00 0.00 O ATOM 1113 CB GLN A 70 -10.509 12.831 -10.291 1.00 0.00 C ATOM 1114 CG GLN A 70 -10.243 14.321 -10.205 1.00 0.00 C ATOM 1115 CD GLN A 70 -11.204 15.106 -11.080 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -12.348 14.698 -11.278 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -10.752 16.222 -11.628 1.00 0.00 N ATOM 0 H GLN A 70 -8.023 12.051 -10.465 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.934 12.365 -8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.252 12.491 -11.294 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.578 12.662 -10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.339 14.650 -9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.218 14.528 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.798 16.531 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.358 16.773 -12.236 1.00 0.00 H new ATOM 1126 N THR A 71 -10.453 10.115 -10.645 1.00 0.00 N ATOM 1127 CA THR A 71 -10.978 8.796 -10.940 1.00 0.00 C ATOM 1128 C THR A 71 -9.850 7.837 -11.289 1.00 0.00 C ATOM 1129 O THR A 71 -9.219 7.966 -12.343 1.00 0.00 O ATOM 1130 CB THR A 71 -11.961 8.845 -12.123 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.805 9.999 -12.013 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.817 7.589 -12.164 1.00 0.00 C ATOM 0 H THR A 71 -10.251 10.678 -11.472 1.00 0.00 H new ATOM 0 HA THR A 71 -11.499 8.447 -10.049 1.00 0.00 H new ATOM 0 HB THR A 71 -11.383 8.905 -13.045 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.426 10.023 -12.771 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.505 7.645 -13.008 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.175 6.715 -12.276 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.385 7.506 -11.238 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.584 6.895 -10.403 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.574 5.887 -10.655 1.00 0.00 C ATOM 1142 C LEU A 72 -9.232 4.561 -11.007 1.00 0.00 C ATOM 1143 O LEU A 72 -9.868 3.929 -10.171 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.665 5.732 -9.435 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.584 4.653 -9.553 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.785 4.830 -10.833 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.661 4.701 -8.345 1.00 0.00 C ATOM 0 H LEU A 72 -10.054 6.808 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.963 6.204 -11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.180 6.689 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.285 5.507 -8.567 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.072 3.679 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.023 4.053 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.452 4.755 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.306 5.809 -10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.897 3.930 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.184 5.680 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.240 4.528 -7.438 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.075 4.146 -12.249 1.00 0.00 N ATOM 1160 CA LYS A 73 -9.637 2.889 -12.705 1.00 0.00 C ATOM 1161 C LYS A 73 -8.651 1.763 -12.489 1.00 0.00 C ATOM 1162 O LYS A 73 -7.612 1.706 -13.142 1.00 0.00 O ATOM 1163 CB LYS A 73 -9.999 2.962 -14.188 1.00 0.00 C ATOM 1164 CG LYS A 73 -11.289 3.706 -14.475 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.598 3.738 -15.966 1.00 0.00 C ATOM 1166 CE LYS A 73 -11.522 2.352 -16.597 1.00 0.00 C ATOM 1167 NZ LYS A 73 -12.462 1.386 -15.965 1.00 0.00 N ATOM 0 H LYS A 73 -8.561 4.663 -12.963 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.541 2.698 -12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.185 3.447 -14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.081 1.949 -14.581 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.111 3.228 -13.943 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.214 4.725 -14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.594 4.152 -16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.895 4.403 -16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.745 2.428 -17.661 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.504 1.972 -16.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.434 0.485 -16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.183 1.226 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.427 1.772 -15.994 1.00 0.00 H new ATOM 1181 N ILE A 74 -8.966 0.890 -11.551 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.153 -0.282 -11.302 1.00 0.00 C ATOM 1183 C ILE A 74 -8.799 -1.494 -11.961 1.00 0.00 C ATOM 1184 O ILE A 74 -9.758 -2.060 -11.433 1.00 0.00 O ATOM 1185 CB ILE A 74 -7.989 -0.539 -9.791 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.542 0.743 -9.083 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -6.986 -1.661 -9.550 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.698 0.689 -7.581 1.00 0.00 C ATOM 0 H ILE A 74 -9.784 0.972 -10.947 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.163 -0.110 -11.725 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.951 -0.845 -9.381 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.497 0.936 -9.325 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.119 1.582 -9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.881 -1.831 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.339 -2.574 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.020 -1.382 -9.970 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.362 1.630 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.746 0.527 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.098 -0.129 -7.182 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.292 -1.862 -13.126 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.840 -2.987 -13.867 1.00 0.00 C ATOM 1202 C GLU A 75 -8.040 -4.251 -13.569 1.00 0.00 C ATOM 1203 O GLU A 75 -6.806 -4.223 -13.544 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.820 -2.704 -15.372 1.00 0.00 C ATOM 1205 CG GLU A 75 -10.189 -2.785 -16.032 1.00 0.00 C ATOM 1206 CD GLU A 75 -11.027 -1.536 -15.835 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -11.386 -1.218 -14.686 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -11.335 -0.866 -16.846 1.00 0.00 O ATOM 0 H GLU A 75 -7.504 -1.400 -13.579 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.873 -3.134 -13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.405 -1.710 -15.540 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.151 -3.415 -15.857 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.060 -2.962 -17.100 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.728 -3.643 -15.630 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.743 -5.356 -13.353 1.00 0.00 N ATOM 1216 CA LYS A 76 -8.092 -6.609 -12.987 1.00 0.00 C ATOM 1217 C LYS A 76 -8.101 -7.602 -14.145 1.00 0.00 C ATOM 1218 O LYS A 76 -9.159 -8.025 -14.613 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.767 -7.236 -11.757 1.00 0.00 C ATOM 1220 CG LYS A 76 -10.252 -7.527 -11.940 1.00 0.00 C ATOM 1221 CD LYS A 76 -10.829 -8.298 -10.759 1.00 0.00 C ATOM 1222 CE LYS A 76 -10.241 -9.697 -10.651 1.00 0.00 C ATOM 1223 NZ LYS A 76 -10.595 -10.547 -11.820 1.00 0.00 N ATOM 0 H LYS A 76 -9.759 -5.411 -13.424 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.055 -6.376 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.254 -8.165 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.642 -6.566 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.794 -6.589 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.400 -8.100 -12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.633 -7.750 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.912 -8.367 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.156 -9.628 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.600 -10.171 -9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.513 -11.550 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.572 -10.345 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.948 -10.341 -12.608 1.00 0.00 H new ATOM 1237 N SER A 77 -6.920 -7.960 -14.613 1.00 0.00 N ATOM 1238 CA SER A 77 -6.793 -9.001 -15.617 1.00 0.00 C ATOM 1239 C SER A 77 -6.121 -10.220 -15.001 1.00 0.00 C ATOM 1240 O SER A 77 -5.264 -10.092 -14.126 1.00 0.00 O ATOM 1241 CB SER A 77 -5.988 -8.503 -16.822 1.00 0.00 C ATOM 1242 OG SER A 77 -5.854 -9.523 -17.801 1.00 0.00 O ATOM 0 H SER A 77 -6.036 -7.547 -14.315 1.00 0.00 H new ATOM 0 HA SER A 77 -7.788 -9.274 -15.968 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.482 -7.636 -17.260 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.001 -8.176 -16.495 1.00 0.00 H new ATOM 0 HG SER A 77 -6.174 -9.191 -18.666 1.00 0.00 H new ATOM 1248 N THR A 78 -6.542 -11.396 -15.424 1.00 0.00 N ATOM 1249 CA THR A 78 -5.931 -12.632 -14.969 1.00 0.00 C ATOM 1250 C THR A 78 -5.649 -13.521 -16.177 1.00 0.00 C ATOM 1251 O THR A 78 -5.520 -14.743 -16.071 1.00 0.00 O ATOM 1252 CB THR A 78 -6.844 -13.352 -13.961 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.414 -12.385 -13.067 1.00 0.00 O ATOM 1254 CG2 THR A 78 -6.071 -14.381 -13.147 1.00 0.00 C ATOM 0 H THR A 78 -7.308 -11.523 -16.085 1.00 0.00 H new ATOM 0 HA THR A 78 -4.994 -12.407 -14.460 1.00 0.00 H new ATOM 0 HB THR A 78 -7.625 -13.869 -14.519 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.998 -12.839 -12.424 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.746 -14.871 -12.445 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.641 -15.126 -13.816 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.273 -13.884 -12.596 1.00 0.00 H new ATOM 1262 N SER A 79 -5.538 -12.878 -17.329 1.00 0.00 N ATOM 1263 CA SER A 79 -5.268 -13.567 -18.575 1.00 0.00 C ATOM 1264 C SER A 79 -3.768 -13.823 -18.720 1.00 0.00 C ATOM 1265 O SER A 79 -2.984 -13.498 -17.822 1.00 0.00 O ATOM 1266 CB SER A 79 -5.778 -12.718 -19.741 1.00 0.00 C ATOM 1267 OG SER A 79 -7.115 -12.298 -19.522 1.00 0.00 O ATOM 0 H SER A 79 -5.633 -11.867 -17.423 1.00 0.00 H new ATOM 0 HA SER A 79 -5.782 -14.528 -18.578 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.136 -11.846 -19.868 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.721 -13.293 -20.665 1.00 0.00 H new ATOM 0 HG SER A 79 -7.165 -11.321 -19.583 1.00 0.00 H new ATOM 1273 N LYS A 80 -3.374 -14.418 -19.838 1.00 0.00 N ATOM 1274 CA LYS A 80 -1.964 -14.632 -20.130 1.00 0.00 C ATOM 1275 C LYS A 80 -1.403 -13.381 -20.791 1.00 0.00 C ATOM 1276 O LYS A 80 -0.218 -13.062 -20.672 1.00 0.00 O ATOM 1277 CB LYS A 80 -1.774 -15.835 -21.060 1.00 0.00 C ATOM 1278 CG LYS A 80 -2.622 -17.045 -20.697 1.00 0.00 C ATOM 1279 CD LYS A 80 -2.371 -17.521 -19.277 1.00 0.00 C ATOM 1280 CE LYS A 80 -3.283 -18.686 -18.923 1.00 0.00 C ATOM 1281 NZ LYS A 80 -4.722 -18.308 -18.988 1.00 0.00 N ATOM 0 H LYS A 80 -4.011 -14.761 -20.557 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.436 -14.836 -19.198 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.011 -15.532 -22.080 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.723 -16.125 -21.050 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.676 -16.794 -20.813 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.409 -17.857 -21.393 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.330 -17.824 -19.170 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.537 -16.700 -18.580 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.095 -19.514 -19.606 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.046 -19.040 -17.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.291 -19.022 -18.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.858 -17.381 -18.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.023 -18.257 -19.982 1.00 0.00 H new ATOM 1295 N GLU A 81 -2.281 -12.681 -21.490 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.946 -11.433 -22.153 1.00 0.00 C ATOM 1297 C GLU A 81 -2.401 -10.248 -21.296 1.00 0.00 C ATOM 1298 O GLU A 81 -3.269 -10.406 -20.436 1.00 0.00 O ATOM 1299 CB GLU A 81 -2.608 -11.381 -23.540 1.00 0.00 C ATOM 1300 CG GLU A 81 -4.111 -11.635 -23.531 1.00 0.00 C ATOM 1301 CD GLU A 81 -4.478 -13.108 -23.515 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -4.623 -13.684 -22.417 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -4.647 -13.691 -24.604 1.00 0.00 O ATOM 0 H GLU A 81 -3.253 -12.965 -21.614 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.865 -11.375 -22.282 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.420 -10.403 -23.982 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.131 -12.119 -24.185 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.548 -11.151 -22.658 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.555 -11.168 -24.410 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.834 -9.043 -21.516 1.00 0.00 N ATOM 1311 CA PRO A 82 -2.144 -7.856 -20.713 1.00 0.00 C ATOM 1312 C PRO A 82 -3.459 -7.190 -21.103 1.00 0.00 C ATOM 1313 O PRO A 82 -3.611 -5.975 -20.988 1.00 0.00 O ATOM 1314 CB PRO A 82 -0.970 -6.904 -20.986 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.053 -7.618 -21.929 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.843 -8.735 -22.549 1.00 0.00 C ATOM 0 HA PRO A 82 -2.265 -8.120 -19.663 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.322 -5.969 -21.421 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.453 -6.650 -20.060 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.319 -6.937 -22.695 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.817 -8.008 -21.400 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.314 -8.428 -23.483 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.215 -9.596 -22.777 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.412 -7.993 -21.529 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.722 -7.492 -21.924 1.00 0.00 C ATOM 1326 C VAL A 83 -6.819 -8.379 -21.348 1.00 0.00 C ATOM 1327 O VAL A 83 -6.535 -9.283 -20.558 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.887 -7.395 -23.462 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.919 -6.378 -24.051 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.701 -8.752 -24.121 1.00 0.00 C ATOM 0 H VAL A 83 -4.307 -9.004 -21.613 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.807 -6.482 -21.523 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.903 -7.057 -23.664 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.055 -6.329 -25.131 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.112 -5.397 -23.616 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.895 -6.678 -23.828 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.823 -8.652 -25.200 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.702 -9.129 -23.902 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.445 -9.449 -23.735 1.00 0.00 H new ATOM 1340 N ASP A 84 -8.062 -8.107 -21.742 1.00 0.00 N ATOM 1341 CA ASP A 84 -9.224 -8.855 -21.258 1.00 0.00 C ATOM 1342 C ASP A 84 -9.316 -8.770 -19.739 1.00 0.00 C ATOM 1343 O ASP A 84 -9.007 -9.727 -19.024 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.160 -10.321 -21.703 1.00 0.00 C ATOM 1345 CG ASP A 84 -10.443 -10.787 -22.357 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -11.422 -11.072 -21.636 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -10.476 -10.871 -23.604 1.00 0.00 O ATOM 0 H ASP A 84 -8.293 -7.365 -22.403 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.118 -8.406 -21.691 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.333 -10.449 -22.402 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.948 -10.950 -20.839 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.720 -7.608 -19.250 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.749 -7.346 -17.819 1.00 0.00 C ATOM 1354 C PHE A 85 -11.142 -6.941 -17.355 1.00 0.00 C ATOM 1355 O PHE A 85 -11.990 -6.549 -18.160 1.00 0.00 O ATOM 1356 CB PHE A 85 -8.726 -6.263 -17.445 1.00 0.00 C ATOM 1357 CG PHE A 85 -8.334 -5.358 -18.583 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -9.218 -4.418 -19.088 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -7.072 -5.454 -19.148 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -8.850 -3.593 -20.134 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -6.699 -4.632 -20.192 1.00 0.00 C ATOM 1362 CZ PHE A 85 -7.588 -3.701 -20.687 1.00 0.00 C ATOM 0 H PHE A 85 -10.034 -6.827 -19.826 1.00 0.00 H new ATOM 0 HA PHE A 85 -9.481 -8.272 -17.310 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -9.137 -5.655 -16.639 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.830 -6.746 -17.056 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.205 -4.329 -18.660 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.371 -6.182 -18.766 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.548 -2.864 -20.519 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.712 -4.718 -20.621 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.299 -3.058 -21.505 1.00 0.00 H new ATOM 1372 N GLU A 86 -11.363 -7.046 -16.054 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.651 -6.729 -15.456 1.00 0.00 C ATOM 1374 C GLU A 86 -12.591 -5.412 -14.700 1.00 0.00 C ATOM 1375 O GLU A 86 -11.547 -5.057 -14.148 1.00 0.00 O ATOM 1376 CB GLU A 86 -13.065 -7.821 -14.473 1.00 0.00 C ATOM 1377 CG GLU A 86 -13.151 -9.210 -15.071 1.00 0.00 C ATOM 1378 CD GLU A 86 -13.476 -10.247 -14.021 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -14.625 -10.256 -13.525 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -12.579 -11.037 -13.660 1.00 0.00 O ATOM 0 H GLU A 86 -10.657 -7.352 -15.384 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.376 -6.655 -16.266 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.352 -7.838 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.035 -7.561 -14.050 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.915 -9.226 -15.848 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.204 -9.460 -15.550 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.714 -4.708 -14.675 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.877 -3.534 -13.829 1.00 0.00 C ATOM 1389 C GLN A 87 -13.799 -3.962 -12.364 1.00 0.00 C ATOM 1390 O GLN A 87 -14.766 -4.493 -11.816 1.00 0.00 O ATOM 1391 CB GLN A 87 -15.236 -2.881 -14.118 1.00 0.00 C ATOM 1392 CG GLN A 87 -15.521 -1.615 -13.323 1.00 0.00 C ATOM 1393 CD GLN A 87 -14.927 -0.367 -13.948 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -14.754 -0.284 -15.162 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -14.636 0.624 -13.121 1.00 0.00 N ATOM 0 H GLN A 87 -14.534 -4.933 -15.238 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.087 -2.812 -14.036 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.291 -2.645 -15.181 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -16.023 -3.607 -13.912 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.600 -1.488 -13.230 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.125 -1.731 -12.314 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.794 0.515 -12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.253 1.497 -13.485 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.639 -3.773 -11.747 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.434 -4.221 -10.374 1.00 0.00 C ATOM 1406 C TRP A 88 -12.882 -3.146 -9.395 1.00 0.00 C ATOM 1407 O TRP A 88 -14.001 -3.184 -8.886 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.962 -4.586 -10.139 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.697 -5.261 -8.823 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.613 -5.856 -8.000 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.422 -5.429 -8.190 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.986 -6.373 -6.892 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.641 -6.124 -6.985 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.116 -5.054 -8.523 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.604 -6.455 -6.116 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.089 -5.383 -7.659 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.338 -6.075 -6.468 1.00 0.00 C ATOM 0 H TRP A 88 -11.831 -3.316 -12.171 1.00 0.00 H new ATOM 0 HA TRP A 88 -13.037 -5.114 -10.208 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.629 -5.241 -10.944 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.361 -3.679 -10.197 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.674 -5.911 -8.193 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.447 -6.863 -6.125 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.914 -4.517 -9.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.793 -6.992 -5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.076 -5.101 -7.907 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.513 -6.314 -5.813 1.00 0.00 H new ATOM 1428 N ILE A 89 -12.016 -2.178 -9.146 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.342 -1.095 -8.240 1.00 0.00 C ATOM 1430 C ILE A 89 -11.972 0.250 -8.839 1.00 0.00 C ATOM 1431 O ILE A 89 -10.801 0.586 -8.997 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.690 -1.259 -6.846 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.222 -1.680 -6.957 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -12.474 -2.265 -6.011 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -9.529 -1.796 -5.615 1.00 0.00 C ATOM 0 H ILE A 89 -11.085 -2.122 -9.558 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.422 -1.135 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.717 -0.290 -6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.164 -2.639 -7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.689 -0.955 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.004 -2.371 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.498 -1.914 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.481 -3.231 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.492 -2.098 -5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.556 -0.832 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.039 -2.542 -5.005 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.991 1.002 -9.208 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.795 2.348 -9.702 1.00 0.00 C ATOM 1449 C GLU A 90 -12.819 3.301 -8.522 1.00 0.00 C ATOM 1450 O GLU A 90 -13.885 3.696 -8.045 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.877 2.698 -10.718 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.587 3.954 -11.516 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.552 4.124 -12.667 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -14.376 3.440 -13.695 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -15.494 4.933 -12.545 1.00 0.00 O ATOM 0 H GLU A 90 -13.965 0.701 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.833 2.429 -10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.999 1.862 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.826 2.822 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.647 4.823 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.568 3.914 -11.900 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.642 3.643 -8.040 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.516 4.355 -6.789 1.00 0.00 C ATOM 1464 C LYS A 91 -11.288 5.838 -7.026 1.00 0.00 C ATOM 1465 O LYS A 91 -10.278 6.244 -7.599 1.00 0.00 O ATOM 1466 CB LYS A 91 -10.363 3.767 -5.971 1.00 0.00 C ATOM 1467 CG LYS A 91 -10.305 4.270 -4.539 1.00 0.00 C ATOM 1468 CD LYS A 91 -11.590 3.955 -3.793 1.00 0.00 C ATOM 1469 CE LYS A 91 -11.480 4.292 -2.317 1.00 0.00 C ATOM 1470 NZ LYS A 91 -11.120 5.718 -2.093 1.00 0.00 N ATOM 0 H LYS A 91 -10.755 3.437 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.447 4.242 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.455 2.681 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.421 4.003 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.461 3.812 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.134 5.347 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.414 4.516 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.828 2.897 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.428 4.077 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.728 3.652 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.269 5.961 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.121 5.867 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.718 6.325 -2.689 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.251 6.638 -6.613 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.088 8.076 -6.617 1.00 0.00 C ATOM 1486 C ASP A 92 -11.673 8.529 -5.228 1.00 0.00 C ATOM 1487 O ASP A 92 -12.096 7.943 -4.225 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.380 8.782 -7.043 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.497 8.646 -6.025 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -15.196 7.611 -6.037 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.688 9.580 -5.218 1.00 0.00 O ATOM 0 H ASP A 92 -13.156 6.315 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.317 8.341 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.172 9.839 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.714 8.372 -7.996 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.816 9.527 -5.164 1.00 0.00 N ATOM 1497 CA LEU A 93 -10.362 10.040 -3.885 1.00 0.00 C ATOM 1498 C LEU A 93 -10.590 11.542 -3.803 1.00 0.00 C ATOM 1499 O LEU A 93 -10.944 12.181 -4.796 1.00 0.00 O ATOM 1500 CB LEU A 93 -8.885 9.679 -3.657 1.00 0.00 C ATOM 1501 CG LEU A 93 -7.886 10.235 -4.679 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -7.344 11.587 -4.233 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -6.750 9.249 -4.900 1.00 0.00 C ATOM 0 H LEU A 93 -10.421 9.998 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.944 9.573 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.595 10.032 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.796 8.593 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.410 10.378 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.638 11.959 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.168 12.293 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.838 11.478 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.049 9.658 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.232 9.073 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.153 8.308 -5.274 1.00 0.00 H new ATOM 1515 N VAL A 94 -10.409 12.092 -2.617 1.00 0.00 N ATOM 1516 CA VAL A 94 -10.536 13.524 -2.408 1.00 0.00 C ATOM 1517 C VAL A 94 -9.160 14.121 -2.153 1.00 0.00 C ATOM 1518 O VAL A 94 -8.389 13.579 -1.361 1.00 0.00 O ATOM 1519 CB VAL A 94 -11.469 13.834 -1.215 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -11.606 15.334 -0.999 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -12.836 13.197 -1.428 1.00 0.00 C ATOM 0 H VAL A 94 -10.172 11.565 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.973 13.966 -3.303 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.021 13.406 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.268 15.521 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.625 15.763 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.023 15.794 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.480 13.425 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.284 13.593 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.724 12.117 -1.518 1.00 0.00 H new ATOM 1531 N HIS A 95 -8.836 15.220 -2.827 1.00 0.00 N ATOM 1532 CA HIS A 95 -7.527 15.832 -2.657 1.00 0.00 C ATOM 1533 C HIS A 95 -7.433 16.442 -1.262 1.00 0.00 C ATOM 1534 O HIS A 95 -8.393 17.038 -0.772 1.00 0.00 O ATOM 1535 CB HIS A 95 -7.230 16.880 -3.755 1.00 0.00 C ATOM 1536 CG HIS A 95 -7.846 18.242 -3.554 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -8.836 18.757 -4.364 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -7.561 19.217 -2.654 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -9.126 19.985 -3.974 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -8.368 20.286 -2.940 1.00 0.00 N ATOM 0 H HIS A 95 -9.452 15.697 -3.485 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.766 15.058 -2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.149 17.000 -3.832 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.576 16.484 -4.710 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.832 19.160 -1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.861 20.633 -4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -8.380 21.172 -2.434 1.00 0.00 H new ATOM 1548 N THR A 96 -6.291 16.280 -0.626 1.00 0.00 N ATOM 1549 CA THR A 96 -6.117 16.752 0.730 1.00 0.00 C ATOM 1550 C THR A 96 -5.042 17.820 0.824 1.00 0.00 C ATOM 1551 O THR A 96 -4.002 17.736 0.170 1.00 0.00 O ATOM 1552 CB THR A 96 -5.773 15.583 1.656 1.00 0.00 C ATOM 1553 OG1 THR A 96 -4.790 14.747 1.030 1.00 0.00 O ATOM 1554 CG2 THR A 96 -7.020 14.775 1.966 1.00 0.00 C ATOM 0 H THR A 96 -5.471 15.825 -1.027 1.00 0.00 H new ATOM 0 HA THR A 96 -7.060 17.201 1.044 1.00 0.00 H new ATOM 0 HB THR A 96 -5.370 15.975 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.933 14.845 1.495 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.762 13.946 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.755 15.414 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.440 14.384 1.039 1.00 0.00 H new ATOM 1562 N GLU A 97 -5.322 18.841 1.614 1.00 0.00 N ATOM 1563 CA GLU A 97 -4.379 19.918 1.841 1.00 0.00 C ATOM 1564 C GLU A 97 -3.743 19.765 3.219 1.00 0.00 C ATOM 1565 O GLU A 97 -4.440 19.787 4.238 1.00 0.00 O ATOM 1566 CB GLU A 97 -5.092 21.261 1.715 1.00 0.00 C ATOM 1567 CG GLU A 97 -4.163 22.459 1.750 1.00 0.00 C ATOM 1568 CD GLU A 97 -4.900 23.753 1.506 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -5.402 24.349 2.482 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -5.000 24.176 0.335 1.00 0.00 O ATOM 0 H GLU A 97 -6.205 18.946 2.113 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.588 19.876 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.653 21.277 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.817 21.353 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.664 22.503 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.385 22.337 0.996 1.00 0.00 H new ATOM 1577 N GLY A 98 -2.429 19.591 3.245 1.00 0.00 N ATOM 1578 CA GLY A 98 -1.728 19.382 4.498 1.00 0.00 C ATOM 1579 C GLY A 98 -1.992 18.002 5.070 1.00 0.00 C ATOM 1580 O GLY A 98 -1.994 17.812 6.287 1.00 0.00 O ATOM 0 H GLY A 98 -1.833 19.591 2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.657 19.511 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.038 20.139 5.218 1.00 0.00 H new ATOM 1584 N GLN A 99 -2.216 17.039 4.186 1.00 0.00 N ATOM 1585 CA GLN A 99 -2.533 15.679 4.590 1.00 0.00 C ATOM 1586 C GLN A 99 -2.074 14.691 3.524 1.00 0.00 C ATOM 1587 O GLN A 99 -2.436 14.815 2.354 1.00 0.00 O ATOM 1588 CB GLN A 99 -4.039 15.535 4.839 1.00 0.00 C ATOM 1589 CG GLN A 99 -4.505 14.098 5.011 1.00 0.00 C ATOM 1590 CD GLN A 99 -5.951 14.007 5.453 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -6.447 14.872 6.171 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -6.643 12.966 5.019 1.00 0.00 N ATOM 0 H GLN A 99 -2.183 17.178 3.176 1.00 0.00 H new ATOM 0 HA GLN A 99 -2.006 15.459 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.305 16.101 5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.579 15.983 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.382 13.564 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.872 13.599 5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.196 12.268 4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.624 12.861 5.279 1.00 0.00 H new ATOM 1601 N LEU A 100 -1.269 13.720 3.927 1.00 0.00 N ATOM 1602 CA LEU A 100 -0.773 12.717 2.998 1.00 0.00 C ATOM 1603 C LEU A 100 -1.776 11.576 2.885 1.00 0.00 C ATOM 1604 O LEU A 100 -2.145 10.959 3.887 1.00 0.00 O ATOM 1605 CB LEU A 100 0.589 12.189 3.457 1.00 0.00 C ATOM 1606 CG LEU A 100 1.655 12.087 2.359 1.00 0.00 C ATOM 1607 CD1 LEU A 100 2.957 11.550 2.932 1.00 0.00 C ATOM 1608 CD2 LEU A 100 1.176 11.210 1.210 1.00 0.00 C ATOM 0 H LEU A 100 -0.946 13.605 4.888 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.648 13.176 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.965 12.839 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.448 11.202 3.897 1.00 0.00 H new ATOM 0 HG LEU A 100 1.833 13.088 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.703 11.484 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.315 12.221 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.787 10.560 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.952 11.155 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.962 10.208 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.271 11.638 0.778 1.00 0.00 H new ATOM 1620 N GLN A 101 -2.224 11.306 1.670 1.00 0.00 N ATOM 1621 CA GLN A 101 -3.217 10.270 1.443 1.00 0.00 C ATOM 1622 C GLN A 101 -2.578 8.898 1.329 1.00 0.00 C ATOM 1623 O GLN A 101 -2.150 8.483 0.249 1.00 0.00 O ATOM 1624 CB GLN A 101 -4.045 10.573 0.194 1.00 0.00 C ATOM 1625 CG GLN A 101 -5.032 11.706 0.393 1.00 0.00 C ATOM 1626 CD GLN A 101 -6.057 11.397 1.467 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -5.839 11.668 2.650 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -7.181 10.828 1.065 1.00 0.00 N ATOM 0 H GLN A 101 -1.916 11.790 0.826 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.879 10.261 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.374 10.824 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.587 9.675 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -4.491 12.613 0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.545 11.907 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.322 10.620 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.907 10.597 1.743 1.00 0.00 H new ATOM 1637 N ASN A 102 -2.478 8.220 2.459 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.087 6.822 2.474 1.00 0.00 C ATOM 1639 C ASN A 102 -3.350 5.985 2.573 1.00 0.00 C ATOM 1640 O ASN A 102 -3.873 5.756 3.667 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.152 6.499 3.652 1.00 0.00 C ATOM 1642 CG ASN A 102 0.154 7.277 3.627 1.00 0.00 C ATOM 1643 OD1 ASN A 102 0.204 8.434 3.209 1.00 0.00 O ATOM 1644 ND2 ASN A 102 1.222 6.646 4.090 1.00 0.00 N ATOM 0 H ASN A 102 -2.663 8.617 3.380 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.538 6.597 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.673 6.710 4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.929 5.432 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.126 7.119 4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.141 5.687 4.428 1.00 0.00 H new ATOM 1651 N GLU A 103 -3.847 5.546 1.433 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.136 4.887 1.376 1.00 0.00 C ATOM 1653 C GLU A 103 -4.957 3.381 1.240 1.00 0.00 C ATOM 1654 O GLU A 103 -4.550 2.881 0.190 1.00 0.00 O ATOM 1655 CB GLU A 103 -5.953 5.459 0.211 1.00 0.00 C ATOM 1656 CG GLU A 103 -7.435 5.127 0.270 1.00 0.00 C ATOM 1657 CD GLU A 103 -8.256 5.966 -0.691 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.644 7.096 -0.319 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -8.534 5.497 -1.814 1.00 0.00 O ATOM 0 H GLU A 103 -3.376 5.634 0.532 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.679 5.072 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.835 6.542 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.544 5.081 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.577 4.071 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.799 5.283 1.286 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.223 2.665 2.326 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.118 1.217 2.317 1.00 0.00 C ATOM 1668 C GLU A 104 -6.420 0.602 1.814 1.00 0.00 C ATOM 1669 O GLU A 104 -7.406 0.477 2.544 1.00 0.00 O ATOM 1670 CB GLU A 104 -4.737 0.687 3.708 1.00 0.00 C ATOM 1671 CG GLU A 104 -5.628 1.185 4.834 1.00 0.00 C ATOM 1672 CD GLU A 104 -5.116 0.788 6.204 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -5.352 -0.367 6.622 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -4.481 1.632 6.872 1.00 0.00 O ATOM 0 H GLU A 104 -5.512 3.064 3.219 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.321 0.924 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.769 -0.402 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.707 0.972 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.703 2.271 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.634 0.789 4.698 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.410 0.243 0.543 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.583 -0.293 -0.122 1.00 0.00 C ATOM 1683 C ILE A 105 -7.761 -1.767 0.207 1.00 0.00 C ATOM 1684 O ILE A 105 -6.943 -2.602 -0.177 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.470 -0.123 -1.655 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.431 1.363 -2.027 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.617 -0.825 -2.364 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -8.651 2.137 -1.578 1.00 0.00 C ATOM 0 H ILE A 105 -5.588 0.315 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.450 0.262 0.237 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.539 -0.585 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.543 1.815 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.332 1.455 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.515 -0.691 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.595 -1.889 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.564 -0.399 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -8.550 3.180 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.542 1.711 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.741 2.078 -0.493 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.822 -2.083 0.930 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.122 -3.466 1.254 1.00 0.00 C ATOM 1702 C VAL A 106 -9.874 -4.127 0.092 1.00 0.00 C ATOM 1703 O VAL A 106 -11.104 -4.129 0.027 1.00 0.00 O ATOM 1704 CB VAL A 106 -9.901 -3.586 2.590 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -11.170 -2.742 2.582 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -10.217 -5.041 2.904 1.00 0.00 C ATOM 0 H VAL A 106 -9.486 -1.404 1.302 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.181 -3.998 1.397 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.258 -3.197 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.687 -2.853 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.909 -1.694 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.823 -3.074 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.763 -5.100 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.826 -5.462 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.288 -5.605 2.988 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.112 -4.658 -0.851 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.680 -5.277 -2.034 1.00 0.00 C ATOM 1718 C ALA A 107 -9.204 -6.714 -2.154 1.00 0.00 C ATOM 1719 O ALA A 107 -8.011 -6.970 -2.295 1.00 0.00 O ATOM 1720 CB ALA A 107 -9.306 -4.487 -3.275 1.00 0.00 C ATOM 0 H ALA A 107 -8.093 -4.672 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.766 -5.278 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.739 -4.964 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.689 -3.470 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.221 -4.459 -3.375 1.00 0.00 H new ATOM 1726 N HIS A 108 -10.140 -7.647 -2.091 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.804 -9.063 -2.125 1.00 0.00 C ATOM 1728 C HIS A 108 -10.079 -9.642 -3.506 1.00 0.00 C ATOM 1729 O HIS A 108 -11.235 -9.804 -3.899 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.607 -9.832 -1.074 1.00 0.00 C ATOM 1731 CG HIS A 108 -10.448 -9.302 0.318 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -11.484 -8.739 1.030 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -9.370 -9.261 1.134 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -11.054 -8.377 2.223 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -9.774 -8.683 2.312 1.00 0.00 N ATOM 0 H HIS A 108 -11.138 -7.451 -2.016 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.742 -9.165 -1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -11.662 -9.804 -1.345 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.301 -10.878 -1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -8.377 -9.617 0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -11.648 -7.910 2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -9.180 -8.517 3.125 1.00 0.00 H new ATOM 1743 N GLY A 109 -9.018 -9.934 -4.241 1.00 0.00 N ATOM 1744 CA GLY A 109 -9.171 -10.492 -5.570 1.00 0.00 C ATOM 1745 C GLY A 109 -7.870 -11.040 -6.117 1.00 0.00 C ATOM 1746 O GLY A 109 -6.801 -10.778 -5.566 1.00 0.00 O ATOM 0 H GLY A 109 -8.053 -9.795 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.915 -11.288 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.550 -9.723 -6.243 1.00 0.00 H new ATOM 1750 N SER A 110 -7.958 -11.796 -7.201 1.00 0.00 N ATOM 1751 CA SER A 110 -6.778 -12.354 -7.843 1.00 0.00 C ATOM 1752 C SER A 110 -6.557 -11.690 -9.198 1.00 0.00 C ATOM 1753 O SER A 110 -7.519 -11.372 -9.903 1.00 0.00 O ATOM 1754 CB SER A 110 -6.944 -13.865 -8.018 1.00 0.00 C ATOM 1755 OG SER A 110 -7.282 -14.482 -6.787 1.00 0.00 O ATOM 0 H SER A 110 -8.838 -12.038 -7.656 1.00 0.00 H new ATOM 0 HA SER A 110 -5.909 -12.165 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.720 -14.067 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.019 -14.295 -8.403 1.00 0.00 H new ATOM 0 HG SER A 110 -7.385 -15.447 -6.922 1.00 0.00 H new ATOM 1761 N ALA A 111 -5.297 -11.470 -9.555 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.964 -10.829 -10.817 1.00 0.00 C ATOM 1763 C ALA A 111 -3.523 -11.116 -11.212 1.00 0.00 C ATOM 1764 O ALA A 111 -2.675 -11.385 -10.362 1.00 0.00 O ATOM 1765 CB ALA A 111 -5.198 -9.327 -10.729 1.00 0.00 C ATOM 0 H ALA A 111 -4.490 -11.727 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.616 -11.242 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.944 -8.863 -11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.246 -9.135 -10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.572 -8.907 -9.942 1.00 0.00 H new ATOM 1771 N THR A 112 -3.266 -11.083 -12.508 1.00 0.00 N ATOM 1772 CA THR A 112 -1.922 -11.226 -13.037 1.00 0.00 C ATOM 1773 C THR A 112 -1.468 -9.908 -13.657 1.00 0.00 C ATOM 1774 O THR A 112 -0.271 -9.602 -13.708 1.00 0.00 O ATOM 1775 CB THR A 112 -1.867 -12.345 -14.095 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.982 -12.214 -14.988 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.895 -13.718 -13.439 1.00 0.00 C ATOM 0 H THR A 112 -3.983 -10.956 -13.222 1.00 0.00 H new ATOM 0 HA THR A 112 -1.255 -11.492 -12.217 1.00 0.00 H new ATOM 0 HB THR A 112 -0.934 -12.250 -14.651 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.788 -12.685 -15.825 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.855 -14.490 -14.208 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.036 -13.822 -12.776 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.814 -13.827 -12.863 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.443 -9.133 -14.118 1.00 0.00 N ATOM 1786 CA TYR A 113 -2.193 -7.829 -14.713 1.00 0.00 C ATOM 1787 C TYR A 113 -3.128 -6.792 -14.104 1.00 0.00 C ATOM 1788 O TYR A 113 -4.346 -6.981 -14.085 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.415 -7.870 -16.230 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.486 -8.805 -16.972 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -1.813 -10.142 -17.158 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.285 -8.347 -17.492 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.966 -10.996 -17.836 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.566 -9.195 -18.172 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.222 -10.517 -18.343 1.00 0.00 C ATOM 1796 OH TYR A 113 1.073 -11.363 -19.016 1.00 0.00 O ATOM 0 H TYR A 113 -3.429 -9.393 -14.089 1.00 0.00 H new ATOM 0 HA TYR A 113 -1.156 -7.559 -14.512 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.445 -8.169 -16.426 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.293 -6.863 -16.630 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -2.746 -10.520 -16.766 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.011 -7.310 -17.363 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -1.233 -12.034 -17.968 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.499 -8.822 -18.569 1.00 0.00 H new ATOM 0 HH TYR A 113 0.553 -12.066 -19.458 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.563 -5.708 -13.598 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.362 -4.612 -13.067 1.00 0.00 C ATOM 1808 C LEU A 114 -3.172 -3.359 -13.906 1.00 0.00 C ATOM 1809 O LEU A 114 -2.050 -2.895 -14.097 1.00 0.00 O ATOM 1810 CB LEU A 114 -3.001 -4.319 -11.610 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.445 -5.376 -10.598 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -3.055 -4.955 -9.190 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.947 -5.602 -10.687 1.00 0.00 C ATOM 0 H LEU A 114 -1.555 -5.562 -13.543 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.408 -4.915 -13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.920 -4.203 -11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.443 -3.363 -11.329 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.941 -6.314 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.377 -5.717 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.973 -4.839 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.535 -4.007 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.245 -6.357 -9.960 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.469 -4.669 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.205 -5.942 -11.690 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.270 -2.815 -14.403 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.213 -1.629 -15.242 1.00 0.00 C ATOM 1827 C ARG A 115 -4.709 -0.416 -14.465 1.00 0.00 C ATOM 1828 O ARG A 115 -5.906 -0.283 -14.217 1.00 0.00 O ATOM 1829 CB ARG A 115 -5.061 -1.834 -16.504 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.915 -0.726 -17.540 1.00 0.00 C ATOM 1831 CD ARG A 115 -5.830 -0.964 -18.734 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.601 0.000 -19.815 1.00 0.00 N ATOM 1833 CZ ARG A 115 -6.479 0.254 -20.791 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -7.679 -0.309 -20.775 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -6.162 1.094 -21.773 1.00 0.00 N ATOM 0 H ARG A 115 -5.211 -3.175 -14.241 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.179 -1.456 -15.540 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.786 -2.784 -16.963 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.109 -1.911 -16.216 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.151 0.235 -17.084 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.880 -0.674 -17.877 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.673 -1.974 -19.113 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.869 -0.902 -18.410 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.717 0.508 -19.823 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.936 -0.939 -20.016 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.345 -0.112 -21.522 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.248 1.546 -21.782 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.833 1.286 -22.516 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.783 0.442 -14.058 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.129 1.664 -13.344 1.00 0.00 C ATOM 1851 C PHE A 116 -4.376 2.798 -14.328 1.00 0.00 C ATOM 1852 O PHE A 116 -3.438 3.320 -14.938 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.021 2.061 -12.364 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.046 1.308 -11.061 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -2.373 0.105 -10.915 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -3.737 1.820 -9.974 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -2.388 -0.571 -9.707 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -3.758 1.148 -8.767 1.00 0.00 C ATOM 1859 CZ PHE A 116 -3.082 -0.047 -8.631 1.00 0.00 C ATOM 0 H PHE A 116 -2.783 0.314 -14.211 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.040 1.475 -12.777 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.055 1.903 -12.843 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.102 3.128 -12.155 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.831 -0.309 -11.752 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.266 2.757 -10.072 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.858 -1.507 -9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.304 1.558 -7.930 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.095 -0.572 -7.687 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.637 3.159 -14.494 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.015 4.210 -15.425 1.00 0.00 C ATOM 1871 C ILE A 117 -6.445 5.470 -14.682 1.00 0.00 C ATOM 1872 O ILE A 117 -7.540 5.529 -14.122 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.173 3.763 -16.343 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -6.845 2.426 -17.008 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.456 4.829 -17.397 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -7.988 1.857 -17.817 1.00 0.00 C ATOM 0 H ILE A 117 -6.420 2.738 -13.994 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.135 4.422 -16.032 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.067 3.632 -15.733 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.980 2.555 -17.658 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.561 1.707 -16.239 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.275 4.500 -18.037 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.732 5.762 -16.906 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.564 4.988 -18.003 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.684 0.908 -18.259 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.848 1.695 -17.168 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.257 2.557 -18.608 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.585 6.471 -14.674 1.00 0.00 N ATOM 1889 CA ILE A 118 -5.924 7.753 -14.084 1.00 0.00 C ATOM 1890 C ILE A 118 -6.581 8.630 -15.144 1.00 0.00 C ATOM 1891 O ILE A 118 -5.902 9.253 -15.962 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.684 8.469 -13.506 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -3.920 7.535 -12.560 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.100 9.740 -12.779 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.645 8.135 -12.005 1.00 0.00 C ATOM 0 H ILE A 118 -4.646 6.421 -15.069 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.612 7.576 -13.257 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.023 8.741 -14.329 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.572 7.261 -11.731 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.676 6.615 -13.092 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.216 10.235 -12.376 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.605 10.409 -13.476 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.777 9.487 -11.963 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.161 7.415 -11.345 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.972 8.384 -12.826 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.882 9.039 -11.444 1.00 0.00 H new ATOM 1907 N VAL A 119 -7.904 8.638 -15.148 1.00 0.00 N ATOM 1908 CA VAL A 119 -8.657 9.333 -16.180 1.00 0.00 C ATOM 1909 C VAL A 119 -8.591 10.842 -15.984 1.00 0.00 C ATOM 1910 O VAL A 119 -8.247 11.585 -16.904 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.134 8.890 -16.198 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -10.861 9.496 -17.388 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.241 7.371 -16.218 1.00 0.00 C ATOM 0 H VAL A 119 -8.480 8.171 -14.447 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.199 9.073 -17.134 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.610 9.252 -15.287 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -11.901 9.171 -17.383 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -10.820 10.583 -17.324 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -10.383 9.168 -18.311 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.291 7.080 -16.230 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -9.747 6.983 -17.109 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.762 6.961 -15.329 1.00 0.00 H new ATOM 1923 N SER A 120 -8.914 11.288 -14.782 1.00 0.00 N ATOM 1924 CA SER A 120 -8.932 12.709 -14.484 1.00 0.00 C ATOM 1925 C SER A 120 -8.212 12.993 -13.172 1.00 0.00 C ATOM 1926 O SER A 120 -8.121 12.122 -12.303 1.00 0.00 O ATOM 1927 CB SER A 120 -10.374 13.212 -14.405 1.00 0.00 C ATOM 1928 OG SER A 120 -11.095 12.886 -15.585 1.00 0.00 O ATOM 0 H SER A 120 -9.167 10.687 -13.998 1.00 0.00 H new ATOM 0 HA SER A 120 -8.413 13.234 -15.286 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.869 12.772 -13.539 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.378 14.292 -14.259 1.00 0.00 H new ATOM 0 HG SER A 120 -12.014 13.217 -15.509 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.699 14.206 -13.039 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.045 14.635 -11.817 1.00 0.00 C ATOM 1936 C ALA A 121 -7.518 16.030 -11.433 1.00 0.00 C ATOM 1937 O ALA A 121 -8.036 16.766 -12.271 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.532 14.607 -11.986 1.00 0.00 C ATOM 0 H ALA A 121 -7.725 14.916 -13.771 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.311 13.946 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.056 14.932 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.211 13.593 -12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.244 15.277 -12.796 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.367 16.383 -10.163 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.748 17.706 -9.680 1.00 0.00 C ATOM 1946 C PHE A 122 -6.702 18.736 -10.085 1.00 0.00 C ATOM 1947 O PHE A 122 -6.883 19.937 -9.886 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.909 17.704 -8.156 1.00 0.00 C ATOM 1949 CG PHE A 122 -9.007 16.807 -7.655 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -10.338 17.146 -7.846 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -8.710 15.633 -6.981 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -11.349 16.332 -7.374 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -9.717 14.814 -6.510 1.00 0.00 C ATOM 1954 CZ PHE A 122 -11.038 15.164 -6.706 1.00 0.00 C ATOM 0 H PHE A 122 -6.982 15.769 -9.445 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.705 17.969 -10.131 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.967 17.395 -7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -8.105 18.722 -7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.587 18.057 -8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -7.678 15.355 -6.822 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -12.382 16.609 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.471 13.901 -5.989 1.00 0.00 H new ATOM 0 HZ PHE A 122 -11.827 14.525 -6.337 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.609 18.248 -10.648 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.527 19.097 -11.109 1.00 0.00 C ATOM 1966 C ASP A 123 -4.082 18.615 -12.486 1.00 0.00 C ATOM 1967 O ASP A 123 -4.602 17.617 -12.987 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.362 19.050 -10.114 1.00 0.00 C ATOM 1969 CG ASP A 123 -2.373 20.179 -10.315 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -2.623 21.289 -9.796 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -1.350 19.967 -10.999 1.00 0.00 O ATOM 0 H ASP A 123 -5.448 17.252 -10.798 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.866 20.130 -11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.755 19.094 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.843 18.097 -10.214 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.131 19.306 -13.099 1.00 0.00 N ATOM 1977 CA HIS A 124 -2.640 18.911 -14.412 1.00 0.00 C ATOM 1978 C HIS A 124 -1.564 17.841 -14.250 1.00 0.00 C ATOM 1979 O HIS A 124 -1.284 17.073 -15.170 1.00 0.00 O ATOM 1980 CB HIS A 124 -2.090 20.125 -15.172 1.00 0.00 C ATOM 1981 CG HIS A 124 -1.973 19.921 -16.657 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -1.662 20.939 -17.532 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -2.132 18.813 -17.423 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -1.632 20.469 -18.763 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -1.913 19.183 -18.726 1.00 0.00 N ATOM 0 H HIS A 124 -2.686 20.138 -12.711 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.465 18.501 -14.994 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -2.738 20.981 -14.984 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -1.107 20.375 -14.772 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.384 17.823 -17.072 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -1.414 21.042 -19.652 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -1.960 18.563 -19.534 1.00 0.00 H new ATOM 1993 N PHE A 125 -0.966 17.794 -13.070 1.00 0.00 N ATOM 1994 CA PHE A 125 0.011 16.765 -12.765 1.00 0.00 C ATOM 1995 C PHE A 125 -0.546 15.799 -11.731 1.00 0.00 C ATOM 1996 O PHE A 125 -0.937 16.204 -10.638 1.00 0.00 O ATOM 1997 CB PHE A 125 1.312 17.382 -12.246 1.00 0.00 C ATOM 1998 CG PHE A 125 2.020 18.244 -13.250 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.749 17.670 -14.280 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.960 19.623 -13.163 1.00 0.00 C ATOM 2001 CE1 PHE A 125 3.404 18.459 -15.205 1.00 0.00 C ATOM 2002 CE2 PHE A 125 2.614 20.418 -14.083 1.00 0.00 C ATOM 2003 CZ PHE A 125 3.336 19.836 -15.106 1.00 0.00 C ATOM 0 H PHE A 125 -1.140 18.454 -12.312 1.00 0.00 H new ATOM 0 HA PHE A 125 0.227 16.222 -13.685 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.092 17.979 -11.361 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.982 16.582 -11.932 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.805 16.594 -14.360 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.395 20.083 -12.366 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.968 18.001 -16.004 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.561 21.494 -14.003 1.00 0.00 H new ATOM 0 HZ PHE A 125 3.847 20.456 -15.828 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.588 14.529 -12.090 1.00 0.00 N ATOM 2014 CA ALA A 126 -1.011 13.487 -11.172 1.00 0.00 C ATOM 2015 C ALA A 126 0.173 12.591 -10.851 1.00 0.00 C ATOM 2016 O ALA A 126 0.640 11.837 -11.706 1.00 0.00 O ATOM 2017 CB ALA A 126 -2.155 12.678 -11.764 1.00 0.00 C ATOM 0 H ALA A 126 -0.332 14.192 -13.018 1.00 0.00 H new ATOM 0 HA ALA A 126 -1.373 13.946 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -2.456 11.903 -11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -3.001 13.336 -11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.829 12.215 -12.695 1.00 0.00 H new ATOM 2023 N SER A 127 0.671 12.693 -9.631 1.00 0.00 N ATOM 2024 CA SER A 127 1.880 11.990 -9.246 1.00 0.00 C ATOM 2025 C SER A 127 1.594 10.897 -8.223 1.00 0.00 C ATOM 2026 O SER A 127 0.873 11.117 -7.243 1.00 0.00 O ATOM 2027 CB SER A 127 2.890 12.985 -8.676 1.00 0.00 C ATOM 2028 OG SER A 127 2.328 13.709 -7.591 1.00 0.00 O ATOM 0 H SER A 127 0.255 13.257 -8.890 1.00 0.00 H new ATOM 0 HA SER A 127 2.291 11.512 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.781 12.454 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.205 13.677 -9.457 1.00 0.00 H new ATOM 0 HG SER A 127 1.744 13.118 -7.071 1.00 0.00 H new ATOM 2034 N VAL A 128 2.163 9.724 -8.454 1.00 0.00 N ATOM 2035 CA VAL A 128 2.063 8.628 -7.508 1.00 0.00 C ATOM 2036 C VAL A 128 3.383 8.498 -6.753 1.00 0.00 C ATOM 2037 O VAL A 128 4.457 8.564 -7.348 1.00 0.00 O ATOM 2038 CB VAL A 128 1.700 7.294 -8.212 1.00 0.00 C ATOM 2039 CG1 VAL A 128 2.750 6.899 -9.239 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.495 6.181 -7.197 1.00 0.00 C ATOM 0 H VAL A 128 2.701 9.508 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 128 1.259 8.846 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 128 0.761 7.451 -8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.462 5.960 -9.711 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.828 7.678 -9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.714 6.776 -8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.242 5.257 -7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.412 6.036 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.684 6.451 -6.520 1.00 0.00 H new ATOM 2050 N HIS A 129 3.308 8.357 -5.439 1.00 0.00 N ATOM 2051 CA HIS A 129 4.515 8.310 -4.627 1.00 0.00 C ATOM 2052 C HIS A 129 4.915 6.879 -4.319 1.00 0.00 C ATOM 2053 O HIS A 129 6.078 6.511 -4.468 1.00 0.00 O ATOM 2054 CB HIS A 129 4.341 9.103 -3.329 1.00 0.00 C ATOM 2055 CG HIS A 129 4.408 10.588 -3.518 1.00 0.00 C ATOM 2056 ND1 HIS A 129 5.585 11.261 -3.761 1.00 0.00 N ATOM 2057 CD2 HIS A 129 3.437 11.532 -3.500 1.00 0.00 C ATOM 2058 CE1 HIS A 129 5.335 12.552 -3.881 1.00 0.00 C ATOM 2059 NE2 HIS A 129 4.039 12.745 -3.727 1.00 0.00 N ATOM 0 H HIS A 129 2.436 8.274 -4.916 1.00 0.00 H new ATOM 0 HA HIS A 129 5.314 8.772 -5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 129 3.381 8.845 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 129 5.113 8.800 -2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 129 2.383 11.362 -3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 129 6.069 13.321 -4.073 1.00 0.00 H new ATOM 0 HE2 HIS A 129 3.563 13.646 -3.770 1.00 0.00 H new ATOM 2067 N SER A 130 3.954 6.077 -3.895 1.00 0.00 N ATOM 2068 CA SER A 130 4.231 4.701 -3.527 1.00 0.00 C ATOM 2069 C SER A 130 2.976 3.842 -3.611 1.00 0.00 C ATOM 2070 O SER A 130 1.908 4.232 -3.137 1.00 0.00 O ATOM 2071 CB SER A 130 4.823 4.659 -2.116 1.00 0.00 C ATOM 2072 OG SER A 130 4.190 5.611 -1.275 1.00 0.00 O ATOM 0 H SER A 130 2.977 6.355 -3.797 1.00 0.00 H new ATOM 0 HA SER A 130 4.954 4.290 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.704 3.660 -1.696 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.893 4.861 -2.160 1.00 0.00 H new ATOM 0 HG SER A 130 3.927 5.181 -0.434 1.00 0.00 H new ATOM 2078 N VAL A 131 3.106 2.691 -4.252 1.00 0.00 N ATOM 2079 CA VAL A 131 2.033 1.710 -4.302 1.00 0.00 C ATOM 2080 C VAL A 131 2.592 0.331 -3.989 1.00 0.00 C ATOM 2081 O VAL A 131 3.749 0.037 -4.293 1.00 0.00 O ATOM 2082 CB VAL A 131 1.314 1.679 -5.675 1.00 0.00 C ATOM 2083 CG1 VAL A 131 0.522 2.959 -5.904 1.00 0.00 C ATOM 2084 CG2 VAL A 131 2.305 1.457 -6.808 1.00 0.00 C ATOM 0 H VAL A 131 3.952 2.412 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 131 1.293 2.001 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 131 0.617 0.841 -5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.027 2.912 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.227 3.069 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.198 3.814 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.773 1.440 -7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.036 2.266 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.818 0.506 -6.662 1.00 0.00 H new ATOM 2094 N SER A 132 1.795 -0.495 -3.338 1.00 0.00 N ATOM 2095 CA SER A 132 2.209 -1.850 -3.010 1.00 0.00 C ATOM 2096 C SER A 132 0.999 -2.770 -2.951 1.00 0.00 C ATOM 2097 O SER A 132 -0.058 -2.377 -2.461 1.00 0.00 O ATOM 2098 CB SER A 132 2.953 -1.864 -1.671 1.00 0.00 C ATOM 2099 OG SER A 132 4.076 -0.997 -1.706 1.00 0.00 O ATOM 0 H SER A 132 0.855 -0.253 -3.024 1.00 0.00 H new ATOM 0 HA SER A 132 2.882 -2.210 -3.788 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.278 -1.558 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.279 -2.879 -1.442 1.00 0.00 H new ATOM 0 HG SER A 132 4.535 -1.021 -0.840 1.00 0.00 H new ATOM 2105 N ALA A 133 1.144 -3.983 -3.469 1.00 0.00 N ATOM 2106 CA ALA A 133 0.057 -4.945 -3.442 1.00 0.00 C ATOM 2107 C ALA A 133 0.343 -6.001 -2.394 1.00 0.00 C ATOM 2108 O ALA A 133 1.279 -6.776 -2.535 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.130 -5.583 -4.811 1.00 0.00 C ATOM 0 H ALA A 133 2.000 -4.320 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.868 -4.430 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -0.949 -6.301 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.362 -4.810 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.787 -6.096 -5.102 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.445 -6.012 -1.337 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.230 -6.940 -0.246 1.00 0.00 C ATOM 2117 C GLU A 134 -1.124 -8.155 -0.393 1.00 0.00 C ATOM 2118 O GLU A 134 -2.355 -8.057 -0.349 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.490 -6.262 1.093 1.00 0.00 C ATOM 2120 CG GLU A 134 0.433 -5.091 1.363 1.00 0.00 C ATOM 2121 CD GLU A 134 0.086 -4.381 2.651 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -1.028 -3.837 2.742 1.00 0.00 O ATOM 2123 OE2 GLU A 134 0.913 -4.387 3.589 1.00 0.00 O ATOM 0 H GLU A 134 -1.241 -5.387 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 134 0.810 -7.265 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.523 -5.915 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.378 -6.996 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.463 -5.445 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.376 -4.386 0.534 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.496 -9.293 -0.585 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.222 -10.531 -0.686 1.00 0.00 C ATOM 2132 C GLY A 135 -0.326 -11.709 -0.420 1.00 0.00 C ATOM 2133 O GLY A 135 0.573 -11.633 0.422 1.00 0.00 O ATOM 0 H GLY A 135 0.516 -9.383 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -2.048 -10.531 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.658 -10.620 -1.681 1.00 0.00 H new ATOM 2137 N THR A 136 -0.557 -12.792 -1.135 1.00 0.00 N ATOM 2138 CA THR A 136 0.248 -13.987 -0.988 1.00 0.00 C ATOM 2139 C THR A 136 0.587 -14.576 -2.348 1.00 0.00 C ATOM 2140 O THR A 136 -0.210 -14.496 -3.289 1.00 0.00 O ATOM 2141 CB THR A 136 -0.477 -15.043 -0.136 1.00 0.00 C ATOM 2142 OG1 THR A 136 -1.809 -15.236 -0.628 1.00 0.00 O ATOM 2143 CG2 THR A 136 -0.526 -14.618 1.322 1.00 0.00 C ATOM 0 H THR A 136 -1.301 -12.868 -1.828 1.00 0.00 H new ATOM 0 HA THR A 136 1.170 -13.702 -0.481 1.00 0.00 H new ATOM 0 HB THR A 136 0.076 -15.980 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.265 -15.911 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 136 -1.043 -15.380 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 136 0.489 -14.498 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 136 -1.059 -13.671 1.407 1.00 0.00 H new ATOM 2151 N VAL A 137 1.776 -15.145 -2.453 1.00 0.00 N ATOM 2152 CA VAL A 137 2.202 -15.788 -3.679 1.00 0.00 C ATOM 2153 C VAL A 137 1.771 -17.248 -3.674 1.00 0.00 C ATOM 2154 O VAL A 137 2.402 -18.086 -3.027 1.00 0.00 O ATOM 2155 CB VAL A 137 3.733 -15.707 -3.862 1.00 0.00 C ATOM 2156 CG1 VAL A 137 4.141 -16.220 -5.233 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.227 -14.284 -3.650 1.00 0.00 C ATOM 0 H VAL A 137 2.464 -15.173 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 137 1.731 -15.262 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 137 4.198 -16.344 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.224 -16.153 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.829 -17.259 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.663 -15.616 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.308 -14.250 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.751 -13.622 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.976 -13.958 -2.640 1.00 0.00 H new ATOM 2167 N VAL A 138 0.671 -17.538 -4.359 1.00 0.00 N ATOM 2168 CA VAL A 138 0.180 -18.908 -4.473 1.00 0.00 C ATOM 2169 C VAL A 138 1.235 -19.778 -5.150 1.00 0.00 C ATOM 2170 O VAL A 138 1.539 -20.882 -4.697 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.138 -18.970 -5.275 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.717 -20.377 -5.258 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.146 -17.970 -4.729 1.00 0.00 C ATOM 0 H VAL A 138 0.102 -16.844 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.018 -19.281 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.918 -18.706 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.645 -20.395 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.003 -21.070 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -1.918 -20.675 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.068 -18.030 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.358 -18.200 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.736 -16.963 -4.803 1.00 0.00 H new ATOM 2183 N SER A 139 1.792 -19.259 -6.232 1.00 0.00 N ATOM 2184 CA SER A 139 2.918 -19.886 -6.898 1.00 0.00 C ATOM 2185 C SER A 139 3.717 -18.829 -7.646 1.00 0.00 C ATOM 2186 O SER A 139 3.143 -17.979 -8.337 1.00 0.00 O ATOM 2187 CB SER A 139 2.446 -20.991 -7.845 1.00 0.00 C ATOM 2188 OG SER A 139 1.395 -20.546 -8.689 1.00 0.00 O ATOM 0 H SER A 139 1.476 -18.394 -6.671 1.00 0.00 H new ATOM 0 HA SER A 139 3.560 -20.351 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 139 3.284 -21.330 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 139 2.107 -21.849 -7.264 1.00 0.00 H new ATOM 0 HG SER A 139 1.774 -20.141 -9.497 1.00 0.00 H new