USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 803 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 43 HIS :FLIP no HD1:sc= -5.73! C(o=-8!,f=-6.5!) USER MOD Set 1.2: A 76 THR OG1 : rot 159:sc= -0.804 USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= -0.649 F(o=-15!,f=-10) USER MOD Set 2.2: A 75 HIS :FLIP no HD1:sc= -9.72! C(o=-11!,f=-10!) USER MOD Set 3.1: A 60 ASN : amide:sc= -5.08! C(o=-4!,f=-10!) USER MOD Set 3.2: A 61 SER OG : rot 88:sc= 1.07 USER MOD Set 3.3: A 94 GLN : amide:sc= 0 K(o=-4,f=-4.8) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0153 K(o=-0.015,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= 0.269 (180deg=0.116) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.209 (180deg=-1.39!) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -95:sc= 1.16 USER MOD Single : A 35 HIS : no HE2:sc= -13! C(o=-13!,f=-23!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 164:sc= -0.0592 (180deg=-0.341) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.111! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.00769 (180deg=-0.173) USER MOD Single : A 50 SER OG : rot 96:sc= 0.152 USER MOD Single : A 51 TYR OH : rot 70:sc= -1.18 USER MOD Single : A 52 CYS SG : rot 52:sc= -11.4! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.876 X(o=-0.88,f=-0.62) USER MOD Single : A 59 MET CE :methyl -179:sc= 0 (180deg=-0.000693) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -145:sc= -3.34! (180deg=-4.25!) USER MOD Single : A 91 TYR OH : rot 87:sc= -0.869 USER MOD Single : A 92 GLN : amide:sc= -2.09! C(o=-2.1!,f=-3.7!) USER MOD Single : A 95 THR OG1 : rot -130:sc= -0.131 USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.0311 F(o=-0.63,f=-0.031) USER MOD Single : A 99 SER OG : rot 180:sc= -0.149 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 55.761 -3.641 13.689 1.00 0.00 N ATOM 2 CA GLY A -1 54.353 -4.100 13.813 1.00 0.00 C ATOM 3 C GLY A -1 53.495 -2.911 14.231 1.00 0.00 C ATOM 4 O GLY A -1 52.727 -2.384 13.454 1.00 0.00 O ATOM 0 H1 GLY A -1 56.363 -4.440 13.404 1.00 0.00 H new ATOM 0 H2 GLY A -1 55.820 -2.890 12.972 1.00 0.00 H new ATOM 0 H3 GLY A -1 56.087 -3.271 14.605 1.00 0.00 H new ATOM 0 HA2 GLY A -1 54.002 -4.507 12.865 1.00 0.00 H new ATOM 0 HA3 GLY A -1 54.278 -4.900 14.550 1.00 0.00 H new ATOM 10 N SER A 0 53.629 -2.474 15.449 1.00 0.00 N ATOM 11 CA SER A 0 52.827 -1.308 15.910 1.00 0.00 C ATOM 12 C SER A 0 53.269 -0.030 15.184 1.00 0.00 C ATOM 13 O SER A 0 52.522 0.924 15.089 1.00 0.00 O ATOM 14 CB SER A 0 53.112 -1.191 17.402 1.00 0.00 C ATOM 15 OG SER A 0 54.475 -0.840 17.589 1.00 0.00 O ATOM 0 H SER A 0 54.258 -2.873 16.146 1.00 0.00 H new ATOM 0 HA SER A 0 51.765 -1.440 15.704 1.00 0.00 H new ATOM 0 HB2 SER A 0 52.465 -0.437 17.850 1.00 0.00 H new ATOM 0 HB3 SER A 0 52.895 -2.135 17.901 1.00 0.00 H new ATOM 0 HG SER A 0 54.664 -0.762 18.547 1.00 0.00 H new ATOM 21 N MET A 1 54.476 0.004 14.673 1.00 0.00 N ATOM 22 CA MET A 1 54.946 1.232 13.963 1.00 0.00 C ATOM 23 C MET A 1 54.010 1.507 12.779 1.00 0.00 C ATOM 24 O MET A 1 53.690 2.640 12.472 1.00 0.00 O ATOM 25 CB MET A 1 56.372 0.914 13.480 1.00 0.00 C ATOM 26 CG MET A 1 57.311 0.672 14.674 1.00 0.00 C ATOM 27 SD MET A 1 57.262 2.083 15.805 1.00 0.00 S ATOM 28 CE MET A 1 58.712 1.621 16.789 1.00 0.00 C ATOM 0 H MET A 1 55.151 -0.760 14.717 1.00 0.00 H new ATOM 0 HA MET A 1 54.944 2.117 14.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 56.356 0.032 12.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 56.749 1.740 12.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 57.015 -0.235 15.200 1.00 0.00 H new ATOM 0 HG3 MET A 1 58.330 0.517 14.319 1.00 0.00 H new ATOM 0 HE1 MET A 1 58.877 2.367 17.567 1.00 0.00 H new ATOM 0 HE2 MET A 1 58.544 0.647 17.250 1.00 0.00 H new ATOM 0 HE3 MET A 1 59.589 1.570 16.143 1.00 0.00 H new ATOM 38 N SER A 2 53.532 0.475 12.139 1.00 0.00 N ATOM 39 CA SER A 2 52.579 0.673 11.012 1.00 0.00 C ATOM 40 C SER A 2 51.198 0.229 11.483 1.00 0.00 C ATOM 41 O SER A 2 51.080 -0.650 12.308 1.00 0.00 O ATOM 42 CB SER A 2 53.080 -0.235 9.890 1.00 0.00 C ATOM 43 OG SER A 2 54.397 0.154 9.524 1.00 0.00 O ATOM 0 H SER A 2 53.761 -0.497 12.348 1.00 0.00 H new ATOM 0 HA SER A 2 52.516 1.708 10.675 1.00 0.00 H new ATOM 0 HB2 SER A 2 53.073 -1.275 10.217 1.00 0.00 H new ATOM 0 HB3 SER A 2 52.416 -0.168 9.028 1.00 0.00 H new ATOM 0 HG SER A 2 54.722 -0.428 8.805 1.00 0.00 H new ATOM 49 N ASP A 3 50.153 0.821 10.993 1.00 0.00 N ATOM 50 CA ASP A 3 48.807 0.402 11.465 1.00 0.00 C ATOM 51 C ASP A 3 48.303 -0.793 10.644 1.00 0.00 C ATOM 52 O ASP A 3 47.155 -1.177 10.740 1.00 0.00 O ATOM 53 CB ASP A 3 47.899 1.622 11.273 1.00 0.00 C ATOM 54 CG ASP A 3 47.753 1.931 9.783 1.00 0.00 C ATOM 55 OD1 ASP A 3 48.339 1.213 8.991 1.00 0.00 O ATOM 56 OD2 ASP A 3 47.060 2.882 9.460 1.00 0.00 O ATOM 0 H ASP A 3 50.167 1.566 10.297 1.00 0.00 H new ATOM 0 HA ASP A 3 48.823 0.083 12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 3 46.920 1.430 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 3 48.318 2.484 11.793 1.00 0.00 H new ATOM 61 N GLN A 4 49.151 -1.384 9.835 1.00 0.00 N ATOM 62 CA GLN A 4 48.709 -2.558 9.013 1.00 0.00 C ATOM 63 C GLN A 4 49.820 -3.622 8.927 1.00 0.00 C ATOM 64 O GLN A 4 50.986 -3.341 9.141 1.00 0.00 O ATOM 65 CB GLN A 4 48.436 -1.978 7.631 1.00 0.00 C ATOM 66 CG GLN A 4 49.746 -1.439 7.055 1.00 0.00 C ATOM 67 CD GLN A 4 49.521 -0.959 5.620 1.00 0.00 C ATOM 68 OE1 GLN A 4 48.634 -1.434 4.942 1.00 0.00 O ATOM 69 NE2 GLN A 4 50.292 -0.027 5.125 1.00 0.00 N ATOM 0 H GLN A 4 50.124 -1.107 9.708 1.00 0.00 H new ATOM 0 HA GLN A 4 47.838 -3.050 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 4 48.022 -2.744 6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 4 47.696 -1.180 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 4 50.114 -0.617 7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 4 50.509 -2.217 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 4 51.038 0.373 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 4 50.148 0.300 4.170 1.00 0.00 H new ATOM 78 N GLU A 5 49.463 -4.841 8.605 1.00 0.00 N ATOM 79 CA GLU A 5 50.484 -5.926 8.491 1.00 0.00 C ATOM 80 C GLU A 5 51.429 -5.644 7.322 1.00 0.00 C ATOM 81 O GLU A 5 52.613 -5.921 7.373 1.00 0.00 O ATOM 82 CB GLU A 5 49.666 -7.187 8.212 1.00 0.00 C ATOM 83 CG GLU A 5 48.759 -7.472 9.407 1.00 0.00 C ATOM 84 CD GLU A 5 49.612 -7.523 10.672 1.00 0.00 C ATOM 85 OE1 GLU A 5 50.795 -7.796 10.549 1.00 0.00 O ATOM 86 OE2 GLU A 5 49.076 -7.277 11.738 1.00 0.00 O ATOM 0 H GLU A 5 48.504 -5.131 8.416 1.00 0.00 H new ATOM 0 HA GLU A 5 51.101 -6.014 9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 5 49.068 -7.055 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 5 50.329 -8.033 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 5 47.998 -6.697 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 5 48.236 -8.418 9.266 1.00 0.00 H new ATOM 93 N ALA A 6 50.902 -5.099 6.269 1.00 0.00 N ATOM 94 CA ALA A 6 51.738 -4.798 5.083 1.00 0.00 C ATOM 95 C ALA A 6 52.687 -3.639 5.389 1.00 0.00 C ATOM 96 O ALA A 6 52.494 -2.895 6.334 1.00 0.00 O ATOM 97 CB ALA A 6 50.736 -4.408 4.000 1.00 0.00 C ATOM 0 H ALA A 6 49.918 -4.847 6.178 1.00 0.00 H new ATOM 0 HA ALA A 6 52.361 -5.640 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 6 51.269 -4.167 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 6 50.055 -5.240 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 6 50.166 -3.538 4.327 1.00 0.00 H new ATOM 103 N LYS A 7 53.712 -3.489 4.598 1.00 0.00 N ATOM 104 CA LYS A 7 54.687 -2.383 4.825 1.00 0.00 C ATOM 105 C LYS A 7 55.109 -1.773 3.481 1.00 0.00 C ATOM 106 O LYS A 7 55.038 -2.430 2.463 1.00 0.00 O ATOM 107 CB LYS A 7 55.885 -3.045 5.514 1.00 0.00 C ATOM 108 CG LYS A 7 56.529 -4.069 4.573 1.00 0.00 C ATOM 109 CD LYS A 7 57.140 -5.204 5.399 1.00 0.00 C ATOM 110 CE LYS A 7 58.206 -4.642 6.345 1.00 0.00 C ATOM 111 NZ LYS A 7 58.733 -5.833 7.067 1.00 0.00 N ATOM 0 H LYS A 7 53.919 -4.088 3.799 1.00 0.00 H new ATOM 0 HA LYS A 7 54.268 -1.576 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 7 56.616 -2.288 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 7 55.562 -3.535 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 7 55.783 -4.466 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 7 57.298 -3.590 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 7 56.362 -5.709 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 7 57.583 -5.949 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 7 58.996 -4.131 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 7 57.779 -3.916 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 59.470 -5.535 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 57.959 -6.294 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 59.138 -6.503 6.382 1.00 0.00 H new ATOM 125 N PRO A 8 55.544 -0.535 3.517 1.00 0.00 N ATOM 126 CA PRO A 8 55.994 0.157 2.279 1.00 0.00 C ATOM 127 C PRO A 8 57.162 -0.594 1.620 1.00 0.00 C ATOM 128 O PRO A 8 58.314 -0.241 1.779 1.00 0.00 O ATOM 129 CB PRO A 8 56.437 1.524 2.803 1.00 0.00 C ATOM 130 CG PRO A 8 56.211 1.571 4.329 1.00 0.00 C ATOM 131 CD PRO A 8 55.603 0.238 4.783 1.00 0.00 C ATOM 0 HA PRO A 8 55.224 0.219 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 8 57.489 1.694 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 8 55.871 2.317 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 8 57.155 1.750 4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 8 55.546 2.396 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 8 56.222 -0.256 5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 8 54.615 0.372 5.224 1.00 0.00 H new ATOM 139 N SER A 9 56.861 -1.627 0.881 1.00 0.00 N ATOM 140 CA SER A 9 57.932 -2.420 0.204 1.00 0.00 C ATOM 141 C SER A 9 58.722 -1.545 -0.764 1.00 0.00 C ATOM 142 O SER A 9 59.868 -1.813 -1.071 1.00 0.00 O ATOM 143 CB SER A 9 57.191 -3.501 -0.580 1.00 0.00 C ATOM 144 OG SER A 9 56.402 -2.894 -1.597 1.00 0.00 O ATOM 0 H SER A 9 55.911 -1.960 0.715 1.00 0.00 H new ATOM 0 HA SER A 9 58.640 -2.830 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 9 57.904 -4.196 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 9 56.556 -4.080 0.090 1.00 0.00 H new ATOM 0 HG SER A 9 55.928 -3.588 -2.101 1.00 0.00 H new ATOM 150 N THR A 10 58.099 -0.519 -1.261 1.00 0.00 N ATOM 151 CA THR A 10 58.774 0.374 -2.239 1.00 0.00 C ATOM 152 C THR A 10 60.048 0.966 -1.627 1.00 0.00 C ATOM 153 O THR A 10 61.083 1.032 -2.264 1.00 0.00 O ATOM 154 CB THR A 10 57.746 1.477 -2.513 1.00 0.00 C ATOM 155 OG1 THR A 10 56.531 0.888 -2.948 1.00 0.00 O ATOM 156 CG2 THR A 10 58.258 2.413 -3.604 1.00 0.00 C ATOM 0 H THR A 10 57.141 -0.257 -1.030 1.00 0.00 H new ATOM 0 HA THR A 10 59.077 -0.148 -3.147 1.00 0.00 H new ATOM 0 HB THR A 10 57.583 2.044 -1.597 1.00 0.00 H new ATOM 0 HG1 THR A 10 55.871 1.591 -3.122 1.00 0.00 H new ATOM 0 HG21 THR A 10 57.520 3.193 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 10 59.194 2.869 -3.282 1.00 0.00 H new ATOM 0 HG23 THR A 10 58.427 1.846 -4.520 1.00 0.00 H new ATOM 164 N GLU A 11 59.977 1.396 -0.397 1.00 0.00 N ATOM 165 CA GLU A 11 61.178 1.984 0.266 1.00 0.00 C ATOM 166 C GLU A 11 62.308 0.956 0.306 1.00 0.00 C ATOM 167 O GLU A 11 63.449 1.259 0.023 1.00 0.00 O ATOM 168 CB GLU A 11 60.703 2.321 1.680 1.00 0.00 C ATOM 169 CG GLU A 11 61.822 3.031 2.440 1.00 0.00 C ATOM 170 CD GLU A 11 61.349 3.352 3.858 1.00 0.00 C ATOM 171 OE1 GLU A 11 60.153 3.497 4.043 1.00 0.00 O ATOM 172 OE2 GLU A 11 62.191 3.444 4.735 1.00 0.00 O ATOM 0 H GLU A 11 59.137 1.366 0.180 1.00 0.00 H new ATOM 0 HA GLU A 11 61.566 2.858 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 11 59.819 2.957 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 11 60.414 1.410 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 11 62.710 2.400 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 11 62.103 3.948 1.922 1.00 0.00 H new ATOM 179 N ASP A 12 61.993 -0.265 0.644 1.00 0.00 N ATOM 180 CA ASP A 12 63.042 -1.323 0.687 1.00 0.00 C ATOM 181 C ASP A 12 63.372 -1.786 -0.739 1.00 0.00 C ATOM 182 O ASP A 12 62.494 -2.087 -1.523 1.00 0.00 O ATOM 183 CB ASP A 12 62.424 -2.461 1.500 1.00 0.00 C ATOM 184 CG ASP A 12 63.474 -3.544 1.747 1.00 0.00 C ATOM 185 OD1 ASP A 12 64.317 -3.340 2.605 1.00 0.00 O ATOM 186 OD2 ASP A 12 63.417 -4.561 1.076 1.00 0.00 O ATOM 0 H ASP A 12 61.054 -0.576 0.892 1.00 0.00 H new ATOM 0 HA ASP A 12 63.974 -0.972 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 12 62.049 -2.081 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 12 61.572 -2.882 0.966 1.00 0.00 H new ATOM 191 N LEU A 13 64.634 -1.842 -1.074 1.00 0.00 N ATOM 192 CA LEU A 13 65.045 -2.281 -2.444 1.00 0.00 C ATOM 193 C LEU A 13 64.374 -1.423 -3.516 1.00 0.00 C ATOM 194 O LEU A 13 63.913 -1.919 -4.523 1.00 0.00 O ATOM 195 CB LEU A 13 64.595 -3.736 -2.555 1.00 0.00 C ATOM 196 CG LEU A 13 65.361 -4.566 -1.534 1.00 0.00 C ATOM 197 CD1 LEU A 13 64.873 -6.009 -1.584 1.00 0.00 C ATOM 198 CD2 LEU A 13 66.854 -4.523 -1.860 1.00 0.00 C ATOM 0 H LEU A 13 65.406 -1.601 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 13 66.119 -2.177 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 13 63.523 -3.814 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 13 64.779 -4.112 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 13 65.194 -4.160 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 13 65.421 -6.604 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 13 63.808 -6.041 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 13 65.040 -6.415 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.403 -5.117 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.020 -4.930 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.204 -3.491 -1.826 1.00 0.00 H new ATOM 210 N GLY A 14 64.318 -0.138 -3.309 1.00 0.00 N ATOM 211 CA GLY A 14 63.680 0.748 -4.318 1.00 0.00 C ATOM 212 C GLY A 14 64.746 1.600 -5.003 1.00 0.00 C ATOM 213 O GLY A 14 64.953 2.747 -4.664 1.00 0.00 O ATOM 0 H GLY A 14 64.687 0.336 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 14 63.149 0.149 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 14 62.941 1.390 -3.837 1.00 0.00 H new ATOM 217 N ASP A 15 65.423 1.050 -5.969 1.00 0.00 N ATOM 218 CA ASP A 15 66.467 1.834 -6.680 1.00 0.00 C ATOM 219 C ASP A 15 65.821 3.031 -7.404 1.00 0.00 C ATOM 220 O ASP A 15 66.342 4.129 -7.398 1.00 0.00 O ATOM 221 CB ASP A 15 67.080 0.836 -7.669 1.00 0.00 C ATOM 222 CG ASP A 15 68.325 1.444 -8.314 1.00 0.00 C ATOM 223 OD1 ASP A 15 68.551 2.625 -8.117 1.00 0.00 O ATOM 224 OD2 ASP A 15 69.034 0.715 -8.991 1.00 0.00 O ATOM 0 H ASP A 15 65.299 0.092 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 15 67.221 2.254 -6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 15 67.341 -0.088 -7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 15 66.351 0.577 -8.437 1.00 0.00 H new ATOM 229 N LYS A 16 64.684 2.821 -8.018 1.00 0.00 N ATOM 230 CA LYS A 16 63.980 3.932 -8.741 1.00 0.00 C ATOM 231 C LYS A 16 64.894 4.522 -9.812 1.00 0.00 C ATOM 232 O LYS A 16 64.747 5.661 -10.211 1.00 0.00 O ATOM 233 CB LYS A 16 63.674 5.002 -7.686 1.00 0.00 C ATOM 234 CG LYS A 16 62.841 4.409 -6.550 1.00 0.00 C ATOM 235 CD LYS A 16 62.563 5.500 -5.513 1.00 0.00 C ATOM 236 CE LYS A 16 63.888 6.119 -5.073 1.00 0.00 C ATOM 237 NZ LYS A 16 63.564 6.909 -3.853 1.00 0.00 N ATOM 0 H LYS A 16 64.207 1.920 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 16 63.074 3.573 -9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.605 5.407 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 16 63.136 5.831 -8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.903 4.011 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 16 63.373 3.577 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 16 61.913 6.265 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 16 62.041 5.078 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 16 64.630 5.350 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 64.304 6.754 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.428 7.364 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 62.861 7.638 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 63.176 6.277 -3.123 1.00 0.00 H new ATOM 251 N LYS A 17 65.839 3.761 -10.276 1.00 0.00 N ATOM 252 CA LYS A 17 66.766 4.285 -11.313 1.00 0.00 C ATOM 253 C LYS A 17 67.025 3.214 -12.371 1.00 0.00 C ATOM 254 O LYS A 17 67.196 2.047 -12.065 1.00 0.00 O ATOM 255 CB LYS A 17 68.050 4.629 -10.554 1.00 0.00 C ATOM 256 CG LYS A 17 69.009 5.369 -11.487 1.00 0.00 C ATOM 257 CD LYS A 17 70.348 5.623 -10.780 1.00 0.00 C ATOM 258 CE LYS A 17 70.141 6.548 -9.576 1.00 0.00 C ATOM 259 NZ LYS A 17 71.454 6.553 -8.870 1.00 0.00 N ATOM 0 H LYS A 17 66.011 2.799 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 17 66.364 5.152 -11.837 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.818 5.248 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 17 68.519 3.719 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 17 69.173 4.783 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 17 68.568 6.316 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 70.780 4.678 -10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 17 71.056 6.072 -11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 17 69.858 7.552 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 17 69.345 6.182 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 71.306 6.767 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.902 5.619 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 72.072 7.276 -9.291 1.00 0.00 H new ATOM 273 N GLU A 18 67.055 3.597 -13.615 1.00 0.00 N ATOM 274 CA GLU A 18 67.306 2.597 -14.685 1.00 0.00 C ATOM 275 C GLU A 18 68.682 1.954 -14.497 1.00 0.00 C ATOM 276 O GLU A 18 68.848 0.760 -14.650 1.00 0.00 O ATOM 277 CB GLU A 18 67.273 3.382 -15.984 1.00 0.00 C ATOM 278 CG GLU A 18 67.489 2.400 -17.129 1.00 0.00 C ATOM 279 CD GLU A 18 67.736 3.155 -18.433 1.00 0.00 C ATOM 280 OE1 GLU A 18 67.830 4.369 -18.385 1.00 0.00 O ATOM 281 OE2 GLU A 18 67.826 2.501 -19.459 1.00 0.00 O ATOM 0 H GLU A 18 66.917 4.555 -13.936 1.00 0.00 H new ATOM 0 HA GLU A 18 66.568 1.795 -14.672 1.00 0.00 H new ATOM 0 HB2 GLU A 18 66.318 3.895 -16.096 1.00 0.00 H new ATOM 0 HB3 GLU A 18 68.048 4.148 -15.987 1.00 0.00 H new ATOM 0 HG2 GLU A 18 68.339 1.754 -16.908 1.00 0.00 H new ATOM 0 HG3 GLU A 18 66.617 1.755 -17.234 1.00 0.00 H new ATOM 288 N GLY A 19 69.665 2.746 -14.166 1.00 0.00 N ATOM 289 CA GLY A 19 71.037 2.202 -13.957 1.00 0.00 C ATOM 290 C GLY A 19 71.176 1.767 -12.496 1.00 0.00 C ATOM 291 O GLY A 19 70.220 1.788 -11.749 1.00 0.00 O ATOM 0 H GLY A 19 69.576 3.753 -14.031 1.00 0.00 H new ATOM 0 HA2 GLY A 19 71.213 1.356 -14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 19 71.784 2.958 -14.199 1.00 0.00 H new ATOM 295 N GLU A 20 72.355 1.391 -12.076 1.00 0.00 N ATOM 296 CA GLU A 20 72.544 0.979 -10.652 1.00 0.00 C ATOM 297 C GLU A 20 73.782 1.666 -10.071 1.00 0.00 C ATOM 298 O GLU A 20 74.650 1.022 -9.512 1.00 0.00 O ATOM 299 CB GLU A 20 72.756 -0.539 -10.679 1.00 0.00 C ATOM 300 CG GLU A 20 74.083 -0.873 -11.377 1.00 0.00 C ATOM 301 CD GLU A 20 73.853 -1.038 -12.878 1.00 0.00 C ATOM 302 OE1 GLU A 20 72.715 -0.917 -13.298 1.00 0.00 O ATOM 303 OE2 GLU A 20 74.821 -1.279 -13.584 1.00 0.00 O ATOM 0 H GLU A 20 73.194 1.351 -12.655 1.00 0.00 H new ATOM 0 HA GLU A 20 71.688 1.256 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.762 -0.932 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.930 -1.020 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.809 -0.080 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.502 -1.789 -10.961 1.00 0.00 H new ATOM 310 N TYR A 21 73.891 2.956 -10.200 1.00 0.00 N ATOM 311 CA TYR A 21 75.098 3.632 -9.658 1.00 0.00 C ATOM 312 C TYR A 21 74.773 4.320 -8.339 1.00 0.00 C ATOM 313 O TYR A 21 73.758 4.972 -8.190 1.00 0.00 O ATOM 314 CB TYR A 21 75.495 4.641 -10.723 1.00 0.00 C ATOM 315 CG TYR A 21 75.760 3.912 -12.015 1.00 0.00 C ATOM 316 CD1 TYR A 21 77.004 3.312 -12.233 1.00 0.00 C ATOM 317 CD2 TYR A 21 74.762 3.835 -12.996 1.00 0.00 C ATOM 318 CE1 TYR A 21 77.253 2.635 -13.432 1.00 0.00 C ATOM 319 CE2 TYR A 21 75.012 3.160 -14.196 1.00 0.00 C ATOM 320 CZ TYR A 21 76.257 2.560 -14.415 1.00 0.00 C ATOM 321 OH TYR A 21 76.503 1.900 -15.603 1.00 0.00 O ATOM 0 H TYR A 21 73.207 3.564 -10.651 1.00 0.00 H new ATOM 0 HA TYR A 21 75.907 2.933 -9.447 1.00 0.00 H new ATOM 0 HB2 TYR A 21 74.701 5.375 -10.861 1.00 0.00 H new ATOM 0 HB3 TYR A 21 76.384 5.188 -10.410 1.00 0.00 H new ATOM 0 HD1 TYR A 21 77.772 3.371 -11.476 1.00 0.00 H new ATOM 0 HD2 TYR A 21 73.800 4.296 -12.826 1.00 0.00 H new ATOM 0 HE1 TYR A 21 78.213 2.170 -13.600 1.00 0.00 H new ATOM 0 HE2 TYR A 21 74.244 3.102 -14.953 1.00 0.00 H new ATOM 0 HH TYR A 21 75.706 1.942 -16.172 1.00 0.00 H new ATOM 331 N ILE A 22 75.624 4.154 -7.373 1.00 0.00 N ATOM 332 CA ILE A 22 75.376 4.758 -6.038 1.00 0.00 C ATOM 333 C ILE A 22 76.524 5.690 -5.690 1.00 0.00 C ATOM 334 O ILE A 22 77.590 5.590 -6.250 1.00 0.00 O ATOM 335 CB ILE A 22 75.333 3.554 -5.079 1.00 0.00 C ATOM 336 CG1 ILE A 22 76.765 3.194 -4.599 1.00 0.00 C ATOM 337 CG2 ILE A 22 74.720 2.359 -5.824 1.00 0.00 C ATOM 338 CD1 ILE A 22 76.870 1.689 -4.330 1.00 0.00 C ATOM 0 H ILE A 22 76.490 3.621 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 22 74.460 5.347 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 22 74.730 3.803 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 22 77.494 3.488 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 22 77.003 3.750 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.682 1.496 -5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.711 2.612 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.332 2.120 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 22 77.879 1.449 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 22 76.154 1.406 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 22 76.652 1.140 -5.246 1.00 0.00 H new ATOM 350 N LYS A 23 76.334 6.565 -4.757 1.00 0.00 N ATOM 351 CA LYS A 23 77.445 7.464 -4.369 1.00 0.00 C ATOM 352 C LYS A 23 78.107 6.922 -3.110 1.00 0.00 C ATOM 353 O LYS A 23 77.561 6.999 -2.029 1.00 0.00 O ATOM 354 CB LYS A 23 76.782 8.808 -4.097 1.00 0.00 C ATOM 355 CG LYS A 23 77.849 9.850 -3.775 1.00 0.00 C ATOM 356 CD LYS A 23 77.157 11.148 -3.365 1.00 0.00 C ATOM 357 CE LYS A 23 76.343 11.674 -4.549 1.00 0.00 C ATOM 358 NZ LYS A 23 75.684 12.915 -4.053 1.00 0.00 N ATOM 0 H LYS A 23 75.461 6.699 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 23 78.217 7.547 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.204 9.122 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.084 8.719 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.493 9.495 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 23 78.486 10.019 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.506 10.973 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 23 77.896 11.888 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 23 76.984 11.884 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 23 75.606 10.941 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 75.108 13.330 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 75.074 12.684 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 76.410 13.598 -3.756 1.00 0.00 H new ATOM 372 N LEU A 24 79.284 6.380 -3.241 1.00 0.00 N ATOM 373 CA LEU A 24 79.984 5.836 -2.053 1.00 0.00 C ATOM 374 C LEU A 24 81.281 6.603 -1.820 1.00 0.00 C ATOM 375 O LEU A 24 82.047 6.835 -2.729 1.00 0.00 O ATOM 376 CB LEU A 24 80.288 4.380 -2.383 1.00 0.00 C ATOM 377 CG LEU A 24 80.967 3.737 -1.179 1.00 0.00 C ATOM 378 CD1 LEU A 24 80.728 2.227 -1.200 1.00 0.00 C ATOM 379 CD2 LEU A 24 82.469 4.023 -1.247 1.00 0.00 C ATOM 0 H LEU A 24 79.790 6.291 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 24 79.381 5.925 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 24 79.368 3.848 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.934 4.318 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 24 80.555 4.149 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 24 81.214 1.770 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.657 2.028 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 24 81.142 1.806 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 82.965 3.567 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 24 82.878 3.605 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 24 82.635 5.100 -1.232 1.00 0.00 H new ATOM 391 N LYS A 25 81.542 6.990 -0.615 1.00 0.00 N ATOM 392 CA LYS A 25 82.798 7.737 -0.334 1.00 0.00 C ATOM 393 C LYS A 25 83.560 7.075 0.822 1.00 0.00 C ATOM 394 O LYS A 25 82.986 6.737 1.837 1.00 0.00 O ATOM 395 CB LYS A 25 82.320 9.136 0.044 1.00 0.00 C ATOM 396 CG LYS A 25 81.368 9.034 1.243 1.00 0.00 C ATOM 397 CD LYS A 25 80.733 10.399 1.533 1.00 0.00 C ATOM 398 CE LYS A 25 79.823 10.298 2.766 1.00 0.00 C ATOM 399 NZ LYS A 25 78.831 9.235 2.440 1.00 0.00 N ATOM 0 H LYS A 25 80.943 6.824 0.194 1.00 0.00 H new ATOM 0 HA LYS A 25 83.486 7.754 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.171 9.770 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.812 9.601 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.590 8.299 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 81.912 8.684 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 25 81.511 11.143 1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.156 10.733 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.396 10.041 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 25 79.329 11.248 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 77.964 9.387 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 78.604 9.271 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.231 8.304 2.672 1.00 0.00 H new ATOM 413 N VAL A 26 84.847 6.874 0.679 1.00 0.00 N ATOM 414 CA VAL A 26 85.613 6.216 1.783 1.00 0.00 C ATOM 415 C VAL A 26 86.810 7.064 2.230 1.00 0.00 C ATOM 416 O VAL A 26 87.496 7.668 1.428 1.00 0.00 O ATOM 417 CB VAL A 26 86.113 4.900 1.192 1.00 0.00 C ATOM 418 CG1 VAL A 26 84.969 4.176 0.487 1.00 0.00 C ATOM 419 CG2 VAL A 26 87.227 5.174 0.190 1.00 0.00 C ATOM 0 H VAL A 26 85.394 7.133 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 26 84.984 6.078 2.662 1.00 0.00 H new ATOM 0 HB VAL A 26 86.494 4.275 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 26 85.335 3.238 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 26 84.174 3.968 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 26 84.580 4.804 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.580 4.231 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 26 86.848 5.808 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.052 5.679 0.692 1.00 0.00 H new ATOM 429 N ILE A 27 87.080 7.093 3.507 1.00 0.00 N ATOM 430 CA ILE A 27 88.240 7.885 4.005 1.00 0.00 C ATOM 431 C ILE A 27 89.166 7.017 4.860 1.00 0.00 C ATOM 432 O ILE A 27 88.754 6.035 5.444 1.00 0.00 O ATOM 433 CB ILE A 27 87.612 9.002 4.835 1.00 0.00 C ATOM 434 CG1 ILE A 27 86.690 8.394 5.885 1.00 0.00 C ATOM 435 CG2 ILE A 27 86.793 9.913 3.929 1.00 0.00 C ATOM 436 CD1 ILE A 27 86.328 9.459 6.916 1.00 0.00 C ATOM 0 H ILE A 27 86.548 6.603 4.226 1.00 0.00 H new ATOM 0 HA ILE A 27 88.857 8.272 3.194 1.00 0.00 H new ATOM 0 HB ILE A 27 88.401 9.577 5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 27 85.787 8.007 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 27 87.181 7.552 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 27 86.345 10.710 4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 27 87.441 10.348 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 27 86.006 9.334 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 27 85.668 9.027 7.669 1.00 0.00 H new ATOM 0 HD12 ILE A 27 87.236 9.824 7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 27 85.821 10.287 6.421 1.00 0.00 H new ATOM 448 N GLY A 28 90.423 7.367 4.927 1.00 0.00 N ATOM 449 CA GLY A 28 91.372 6.551 5.727 1.00 0.00 C ATOM 450 C GLY A 28 92.242 7.442 6.606 1.00 0.00 C ATOM 451 O GLY A 28 92.499 8.594 6.304 1.00 0.00 O ATOM 0 H GLY A 28 90.829 8.180 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 28 90.819 5.847 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 28 92.003 5.961 5.062 1.00 0.00 H new ATOM 455 N GLN A 29 92.698 6.891 7.695 1.00 0.00 N ATOM 456 CA GLN A 29 93.563 7.647 8.643 1.00 0.00 C ATOM 457 C GLN A 29 94.787 8.235 7.940 1.00 0.00 C ATOM 458 O GLN A 29 95.489 9.052 8.500 1.00 0.00 O ATOM 459 CB GLN A 29 93.966 6.626 9.709 1.00 0.00 C ATOM 460 CG GLN A 29 94.754 7.321 10.823 1.00 0.00 C ATOM 461 CD GLN A 29 93.830 7.602 12.010 1.00 0.00 C ATOM 462 OE1 GLN A 29 92.599 7.971 11.794 1.00 0.00 O flip ATOM 463 NE2 GLN A 29 94.236 7.481 13.149 1.00 0.00 N flip ATOM 0 H GLN A 29 92.504 5.929 7.974 1.00 0.00 H new ATOM 0 HA GLN A 29 93.041 8.501 9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 29 93.078 6.149 10.123 1.00 0.00 H new ATOM 0 HB3 GLN A 29 94.571 5.838 9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 29 95.587 6.693 11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 29 95.180 8.253 10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 29 95.199 7.192 13.319 1.00 0.00 H new ATOM 0 HE22 GLN A 29 93.613 7.668 13.935 1.00 0.00 H new ATOM 472 N ASP A 30 95.041 7.865 6.717 1.00 0.00 N ATOM 473 CA ASP A 30 96.204 8.456 5.997 1.00 0.00 C ATOM 474 C ASP A 30 95.821 9.829 5.421 1.00 0.00 C ATOM 475 O ASP A 30 96.444 10.310 4.495 1.00 0.00 O ATOM 476 CB ASP A 30 96.534 7.481 4.861 1.00 0.00 C ATOM 477 CG ASP A 30 95.325 7.340 3.936 1.00 0.00 C ATOM 478 OD1 ASP A 30 94.215 7.410 4.435 1.00 0.00 O ATOM 479 OD2 ASP A 30 95.529 7.160 2.748 1.00 0.00 O ATOM 0 H ASP A 30 94.498 7.183 6.187 1.00 0.00 H new ATOM 0 HA ASP A 30 97.057 8.602 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.395 7.841 4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.806 6.508 5.271 1.00 0.00 H new ATOM 484 N SER A 31 94.788 10.453 5.946 1.00 0.00 N ATOM 485 CA SER A 31 94.347 11.779 5.415 1.00 0.00 C ATOM 486 C SER A 31 93.889 11.609 3.967 1.00 0.00 C ATOM 487 O SER A 31 94.155 12.429 3.111 1.00 0.00 O ATOM 488 CB SER A 31 95.568 12.691 5.495 1.00 0.00 C ATOM 489 OG SER A 31 96.057 12.717 6.829 1.00 0.00 O ATOM 0 H SER A 31 94.232 10.096 6.723 1.00 0.00 H new ATOM 0 HA SER A 31 93.515 12.198 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 31 96.345 12.335 4.819 1.00 0.00 H new ATOM 0 HB3 SER A 31 95.304 13.699 5.174 1.00 0.00 H new ATOM 0 HG SER A 31 96.842 13.302 6.878 1.00 0.00 H new ATOM 495 N SER A 32 93.200 10.532 3.699 1.00 0.00 N ATOM 496 CA SER A 32 92.714 10.276 2.314 1.00 0.00 C ATOM 497 C SER A 32 91.181 10.322 2.272 1.00 0.00 C ATOM 498 O SER A 32 90.512 9.797 3.139 1.00 0.00 O ATOM 499 CB SER A 32 93.212 8.866 1.992 1.00 0.00 C ATOM 500 OG SER A 32 92.446 7.922 2.730 1.00 0.00 O ATOM 0 H SER A 32 92.953 9.817 4.383 1.00 0.00 H new ATOM 0 HA SER A 32 93.072 11.018 1.601 1.00 0.00 H new ATOM 0 HB2 SER A 32 93.122 8.670 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 32 94.268 8.773 2.245 1.00 0.00 H new ATOM 0 HG SER A 32 92.913 7.701 3.563 1.00 0.00 H new ATOM 506 N GLU A 33 90.621 10.939 1.266 1.00 0.00 N ATOM 507 CA GLU A 33 89.132 11.013 1.158 1.00 0.00 C ATOM 508 C GLU A 33 88.710 10.822 -0.300 1.00 0.00 C ATOM 509 O GLU A 33 89.169 11.514 -1.185 1.00 0.00 O ATOM 510 CB GLU A 33 88.771 12.422 1.656 1.00 0.00 C ATOM 511 CG GLU A 33 87.249 12.615 1.658 1.00 0.00 C ATOM 512 CD GLU A 33 86.860 13.685 2.691 1.00 0.00 C ATOM 513 OE1 GLU A 33 87.474 14.740 2.683 1.00 0.00 O ATOM 514 OE2 GLU A 33 85.952 13.431 3.467 1.00 0.00 O ATOM 0 H GLU A 33 91.131 11.397 0.511 1.00 0.00 H new ATOM 0 HA GLU A 33 88.627 10.241 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 33 89.164 12.571 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 33 89.238 13.171 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 33 86.910 12.914 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 33 86.754 11.673 1.893 1.00 0.00 H new ATOM 521 N ILE A 34 87.829 9.895 -0.555 1.00 0.00 N ATOM 522 CA ILE A 34 87.370 9.674 -1.952 1.00 0.00 C ATOM 523 C ILE A 34 85.850 9.782 -2.003 1.00 0.00 C ATOM 524 O ILE A 34 85.148 9.049 -1.341 1.00 0.00 O ATOM 525 CB ILE A 34 87.804 8.248 -2.313 1.00 0.00 C ATOM 526 CG1 ILE A 34 89.279 8.048 -1.975 1.00 0.00 C ATOM 527 CG2 ILE A 34 87.604 8.012 -3.814 1.00 0.00 C ATOM 528 CD1 ILE A 34 90.130 9.096 -2.692 1.00 0.00 C ATOM 0 H ILE A 34 87.408 9.282 0.144 1.00 0.00 H new ATOM 0 HA ILE A 34 87.788 10.406 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 34 87.200 7.543 -1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 34 89.427 8.124 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 34 89.595 7.048 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 34 87.913 6.998 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 34 86.552 8.144 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 88.204 8.726 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 34 91.180 8.944 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 34 89.994 9.000 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 34 89.823 10.093 -2.375 1.00 0.00 H new ATOM 540 N HIS A 35 85.336 10.670 -2.798 1.00 0.00 N ATOM 541 CA HIS A 35 83.860 10.794 -2.910 1.00 0.00 C ATOM 542 C HIS A 35 83.465 10.524 -4.363 1.00 0.00 C ATOM 543 O HIS A 35 83.783 11.293 -5.247 1.00 0.00 O ATOM 544 CB HIS A 35 83.545 12.244 -2.518 1.00 0.00 C ATOM 545 CG HIS A 35 83.876 12.463 -1.068 1.00 0.00 C ATOM 546 ND1 HIS A 35 83.080 11.970 -0.043 1.00 0.00 N ATOM 547 CD2 HIS A 35 84.907 13.127 -0.452 1.00 0.00 C ATOM 548 CE1 HIS A 35 83.643 12.339 1.123 1.00 0.00 C ATOM 549 NE2 HIS A 35 84.755 13.048 0.930 1.00 0.00 N ATOM 0 H HIS A 35 85.873 11.316 -3.376 1.00 0.00 H new ATOM 0 HA HIS A 35 83.317 10.093 -2.276 1.00 0.00 H new ATOM 0 HB2 HIS A 35 84.119 12.931 -3.139 1.00 0.00 H new ATOM 0 HB3 HIS A 35 82.491 12.458 -2.696 1.00 0.00 H new ATOM 0 HD1 HIS A 35 82.224 11.427 -0.153 1.00 0.00 H new ATOM 0 HD2 HIS A 35 85.713 13.634 -0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 35 83.243 12.091 2.095 1.00 0.00 H new ATOM 557 N PHE A 36 82.793 9.438 -4.627 1.00 0.00 N ATOM 558 CA PHE A 36 82.410 9.134 -6.039 1.00 0.00 C ATOM 559 C PHE A 36 81.281 8.095 -6.085 1.00 0.00 C ATOM 560 O PHE A 36 80.816 7.639 -5.063 1.00 0.00 O ATOM 561 CB PHE A 36 83.700 8.624 -6.700 1.00 0.00 C ATOM 562 CG PHE A 36 84.144 7.280 -6.150 1.00 0.00 C ATOM 563 CD1 PHE A 36 83.540 6.715 -5.021 1.00 0.00 C ATOM 564 CD2 PHE A 36 85.191 6.603 -6.783 1.00 0.00 C ATOM 565 CE1 PHE A 36 83.982 5.479 -4.527 1.00 0.00 C ATOM 566 CE2 PHE A 36 85.629 5.369 -6.295 1.00 0.00 C ATOM 567 CZ PHE A 36 85.028 4.808 -5.166 1.00 0.00 C ATOM 0 H PHE A 36 82.493 8.752 -3.935 1.00 0.00 H new ATOM 0 HA PHE A 36 82.020 10.006 -6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 36 83.544 8.539 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 36 84.495 9.355 -6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 36 82.730 7.233 -4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 36 85.663 7.036 -7.653 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.515 5.047 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 36 86.434 4.848 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 36 85.371 3.857 -4.787 1.00 0.00 H new ATOM 577 N LYS A 37 80.814 7.726 -7.251 1.00 0.00 N ATOM 578 CA LYS A 37 79.708 6.725 -7.301 1.00 0.00 C ATOM 579 C LYS A 37 80.132 5.499 -8.124 1.00 0.00 C ATOM 580 O LYS A 37 80.839 5.621 -9.104 1.00 0.00 O ATOM 581 CB LYS A 37 78.558 7.447 -7.997 1.00 0.00 C ATOM 582 CG LYS A 37 78.352 8.833 -7.366 1.00 0.00 C ATOM 583 CD LYS A 37 76.936 9.335 -7.669 1.00 0.00 C ATOM 584 CE LYS A 37 76.573 8.988 -9.115 1.00 0.00 C ATOM 585 NZ LYS A 37 75.717 10.107 -9.595 1.00 0.00 N ATOM 0 H LYS A 37 81.144 8.067 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 37 79.435 6.367 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 37 78.773 7.550 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 37 77.644 6.860 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.506 8.779 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.088 9.535 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 37 76.222 8.879 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 37 76.880 10.413 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 37 77.467 8.888 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 37 76.041 8.038 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 75.434 9.930 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 74.868 10.175 -8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 76.250 10.999 -9.543 1.00 0.00 H new ATOM 599 N VAL A 38 79.697 4.319 -7.751 1.00 0.00 N ATOM 600 CA VAL A 38 80.073 3.101 -8.541 1.00 0.00 C ATOM 601 C VAL A 38 78.851 2.186 -8.680 1.00 0.00 C ATOM 602 O VAL A 38 77.723 2.622 -8.564 1.00 0.00 O ATOM 603 CB VAL A 38 81.187 2.387 -7.761 1.00 0.00 C ATOM 604 CG1 VAL A 38 82.102 1.649 -8.745 1.00 0.00 C ATOM 605 CG2 VAL A 38 82.033 3.401 -6.982 1.00 0.00 C ATOM 0 H VAL A 38 79.102 4.146 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 38 80.415 3.366 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 38 80.727 1.687 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.894 1.141 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.520 0.916 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.544 2.365 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 38 82.817 2.877 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.486 4.108 -7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 38 81.399 3.940 -6.278 1.00 0.00 H new ATOM 615 N LYS A 39 79.060 0.926 -8.946 1.00 0.00 N ATOM 616 CA LYS A 39 77.905 -0.006 -9.114 1.00 0.00 C ATOM 617 C LYS A 39 77.877 -1.097 -8.037 1.00 0.00 C ATOM 618 O LYS A 39 78.898 -1.563 -7.575 1.00 0.00 O ATOM 619 CB LYS A 39 78.133 -0.652 -10.474 1.00 0.00 C ATOM 620 CG LYS A 39 78.025 0.415 -11.555 1.00 0.00 C ATOM 621 CD LYS A 39 78.321 -0.204 -12.918 1.00 0.00 C ATOM 622 CE LYS A 39 79.722 0.205 -13.376 1.00 0.00 C ATOM 623 NZ LYS A 39 79.775 -0.174 -14.817 1.00 0.00 N ATOM 0 H LYS A 39 79.980 0.500 -9.055 1.00 0.00 H new ATOM 0 HA LYS A 39 76.959 0.529 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 79.115 -1.123 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 39 77.397 -1.437 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 39 77.026 0.850 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 39 78.726 1.225 -11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.250 -1.290 -12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 39 77.579 0.124 -13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 39 79.886 1.274 -13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.492 -0.310 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 80.707 0.074 -15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.621 -1.198 -14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 79.034 0.337 -15.338 1.00 0.00 H new ATOM 637 N MET A 40 76.704 -1.534 -7.679 1.00 0.00 N ATOM 638 CA MET A 40 76.567 -2.628 -6.675 1.00 0.00 C ATOM 639 C MET A 40 75.661 -3.719 -7.237 1.00 0.00 C ATOM 640 O MET A 40 74.498 -3.825 -6.892 1.00 0.00 O ATOM 641 CB MET A 40 75.934 -1.995 -5.437 1.00 0.00 C ATOM 642 CG MET A 40 76.963 -1.114 -4.728 1.00 0.00 C ATOM 643 SD MET A 40 78.208 -2.176 -3.948 1.00 0.00 S ATOM 644 CE MET A 40 79.076 -0.918 -2.971 1.00 0.00 C ATOM 0 H MET A 40 75.821 -1.176 -8.043 1.00 0.00 H new ATOM 0 HA MET A 40 77.528 -3.082 -6.432 1.00 0.00 H new ATOM 0 HB2 MET A 40 75.067 -1.400 -5.724 1.00 0.00 H new ATOM 0 HB3 MET A 40 75.578 -2.772 -4.761 1.00 0.00 H new ATOM 0 HG2 MET A 40 77.437 -0.439 -5.441 1.00 0.00 H new ATOM 0 HG3 MET A 40 76.474 -0.493 -3.978 1.00 0.00 H new ATOM 0 HE1 MET A 40 79.687 -1.405 -2.211 1.00 0.00 H new ATOM 0 HE2 MET A 40 79.715 -0.326 -3.626 1.00 0.00 H new ATOM 0 HE3 MET A 40 78.348 -0.266 -2.488 1.00 0.00 H new ATOM 654 N THR A 41 76.194 -4.530 -8.104 1.00 0.00 N ATOM 655 CA THR A 41 75.395 -5.631 -8.709 1.00 0.00 C ATOM 656 C THR A 41 75.873 -6.961 -8.142 1.00 0.00 C ATOM 657 O THR A 41 75.219 -7.977 -8.249 1.00 0.00 O ATOM 658 CB THR A 41 75.701 -5.551 -10.201 1.00 0.00 C ATOM 659 OG1 THR A 41 75.348 -4.261 -10.680 1.00 0.00 O ATOM 660 CG2 THR A 41 74.896 -6.616 -10.946 1.00 0.00 C ATOM 0 H THR A 41 77.161 -4.477 -8.424 1.00 0.00 H new ATOM 0 HA THR A 41 74.327 -5.548 -8.506 1.00 0.00 H new ATOM 0 HB THR A 41 76.764 -5.724 -10.369 1.00 0.00 H new ATOM 0 HG1 THR A 41 75.544 -4.203 -11.638 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.115 -6.558 -12.012 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.167 -7.604 -10.573 1.00 0.00 H new ATOM 0 HG23 THR A 41 73.831 -6.446 -10.785 1.00 0.00 H new ATOM 668 N THR A 42 77.025 -6.951 -7.542 1.00 0.00 N ATOM 669 CA THR A 42 77.580 -8.193 -6.963 1.00 0.00 C ATOM 670 C THR A 42 77.819 -7.955 -5.461 1.00 0.00 C ATOM 671 O THR A 42 76.996 -8.287 -4.629 1.00 0.00 O ATOM 672 CB THR A 42 78.892 -8.398 -7.738 1.00 0.00 C ATOM 673 OG1 THR A 42 79.858 -7.455 -7.289 1.00 0.00 O ATOM 674 CG2 THR A 42 78.645 -8.174 -9.243 1.00 0.00 C ATOM 0 H THR A 42 77.611 -6.124 -7.428 1.00 0.00 H new ATOM 0 HA THR A 42 76.936 -9.069 -7.044 1.00 0.00 H new ATOM 0 HB THR A 42 79.253 -9.413 -7.569 1.00 0.00 H new ATOM 0 HG1 THR A 42 80.696 -7.585 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.576 -8.320 -9.790 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.900 -8.885 -9.599 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.284 -7.158 -9.405 1.00 0.00 H new ATOM 682 N HIS A 43 78.920 -7.350 -5.118 1.00 0.00 N ATOM 683 CA HIS A 43 79.212 -7.049 -3.689 1.00 0.00 C ATOM 684 C HIS A 43 80.038 -5.771 -3.635 1.00 0.00 C ATOM 685 O HIS A 43 80.412 -5.233 -4.660 1.00 0.00 O ATOM 686 CB HIS A 43 80.004 -8.247 -3.182 1.00 0.00 C ATOM 687 CG HIS A 43 79.319 -9.504 -3.645 1.00 0.00 C ATOM 688 ND1 HIS A 43 78.169 -10.130 -3.232 1.00 0.00 N flip ATOM 689 CD2 HIS A 43 79.826 -10.281 -4.676 1.00 0.00 C flip ATOM 690 CE1 HIS A 43 77.969 -11.282 -3.987 1.00 0.00 C flip ATOM 691 NE2 HIS A 43 78.997 -11.327 -4.839 1.00 0.00 N flip ATOM 0 H HIS A 43 79.639 -7.047 -5.775 1.00 0.00 H new ATOM 0 HA HIS A 43 78.321 -6.895 -3.081 1.00 0.00 H new ATOM 0 HB2 HIS A 43 81.026 -8.212 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 43 80.065 -8.228 -2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 43 80.723 -10.082 -5.244 1.00 0.00 H new ATOM 0 HE1 HIS A 43 77.157 -11.988 -3.902 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.136 -12.065 -5.529 1.00 0.00 H new ATOM 699 N LEU A 44 80.344 -5.269 -2.472 1.00 0.00 N ATOM 700 CA LEU A 44 81.159 -4.022 -2.428 1.00 0.00 C ATOM 701 C LEU A 44 82.572 -4.309 -2.937 1.00 0.00 C ATOM 702 O LEU A 44 83.389 -3.420 -3.061 1.00 0.00 O ATOM 703 CB LEU A 44 81.180 -3.566 -0.970 1.00 0.00 C ATOM 704 CG LEU A 44 81.794 -4.656 -0.097 1.00 0.00 C ATOM 705 CD1 LEU A 44 83.287 -4.411 0.022 1.00 0.00 C ATOM 706 CD2 LEU A 44 81.188 -4.605 1.299 1.00 0.00 C ATOM 0 H LEU A 44 80.073 -5.657 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 44 80.739 -3.242 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 44 81.755 -2.645 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.167 -3.345 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 44 81.598 -5.628 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 44 83.734 -5.186 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 44 83.740 -4.436 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 44 83.461 -3.435 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 44 81.631 -5.386 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 44 81.387 -3.631 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.111 -4.761 1.234 1.00 0.00 H new ATOM 718 N LYS A 45 82.860 -5.546 -3.252 1.00 0.00 N ATOM 719 CA LYS A 45 84.208 -5.890 -3.774 1.00 0.00 C ATOM 720 C LYS A 45 84.534 -5.002 -4.975 1.00 0.00 C ATOM 721 O LYS A 45 85.632 -4.518 -5.112 1.00 0.00 O ATOM 722 CB LYS A 45 84.089 -7.355 -4.207 1.00 0.00 C ATOM 723 CG LYS A 45 85.448 -7.895 -4.665 1.00 0.00 C ATOM 724 CD LYS A 45 85.220 -9.057 -5.643 1.00 0.00 C ATOM 725 CE LYS A 45 86.561 -9.509 -6.237 1.00 0.00 C ATOM 726 NZ LYS A 45 86.270 -10.784 -6.962 1.00 0.00 N ATOM 0 H LYS A 45 82.215 -6.332 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 45 84.999 -5.743 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 45 83.714 -7.955 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 45 83.365 -7.443 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 86.024 -7.105 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 45 86.027 -8.234 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.741 -9.890 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 84.545 -8.746 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 45 86.963 -8.756 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 45 87.304 -9.664 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.145 -11.147 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.896 -11.487 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 85.566 -10.607 -7.707 1.00 0.00 H new ATOM 740 N LYS A 46 83.593 -4.777 -5.845 1.00 0.00 N ATOM 741 CA LYS A 46 83.881 -3.914 -7.027 1.00 0.00 C ATOM 742 C LYS A 46 84.274 -2.493 -6.598 1.00 0.00 C ATOM 743 O LYS A 46 85.218 -1.919 -7.101 1.00 0.00 O ATOM 744 CB LYS A 46 82.572 -3.893 -7.824 1.00 0.00 C ATOM 745 CG LYS A 46 82.443 -5.193 -8.627 1.00 0.00 C ATOM 746 CD LYS A 46 81.285 -5.092 -9.632 1.00 0.00 C ATOM 747 CE LYS A 46 81.442 -6.190 -10.695 1.00 0.00 C ATOM 748 NZ LYS A 46 80.348 -5.959 -11.687 1.00 0.00 N ATOM 0 H LYS A 46 82.644 -5.148 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 46 84.718 -4.296 -7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.724 -3.785 -7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.556 -3.035 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.375 -5.395 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 46 82.273 -6.030 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 46 80.330 -5.201 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 46 81.282 -4.110 -10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 46 82.420 -6.134 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 46 81.361 -7.181 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 80.402 -6.677 -12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 79.427 -6.026 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 80.453 -5.013 -12.105 1.00 0.00 H new ATOM 762 N LEU A 47 83.549 -1.923 -5.676 1.00 0.00 N ATOM 763 CA LEU A 47 83.855 -0.534 -5.213 1.00 0.00 C ATOM 764 C LEU A 47 85.270 -0.453 -4.627 1.00 0.00 C ATOM 765 O LEU A 47 86.052 0.419 -4.971 1.00 0.00 O ATOM 766 CB LEU A 47 82.793 -0.292 -4.136 1.00 0.00 C ATOM 767 CG LEU A 47 82.848 1.133 -3.563 1.00 0.00 C ATOM 768 CD1 LEU A 47 83.843 1.180 -2.410 1.00 0.00 C ATOM 769 CD2 LEU A 47 83.246 2.157 -4.630 1.00 0.00 C ATOM 0 H LEU A 47 82.750 -2.361 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 47 83.830 0.206 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 47 81.804 -0.472 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.930 -1.010 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 47 81.851 1.392 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 47 83.882 2.191 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.528 0.487 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.832 0.896 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 47 83.274 3.152 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 47 84.231 1.908 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 47 82.517 2.141 -5.440 1.00 0.00 H new ATOM 781 N LYS A 48 85.610 -1.356 -3.752 1.00 0.00 N ATOM 782 CA LYS A 48 86.968 -1.315 -3.150 1.00 0.00 C ATOM 783 C LYS A 48 87.991 -2.078 -3.996 1.00 0.00 C ATOM 784 O LYS A 48 89.122 -1.672 -4.089 1.00 0.00 O ATOM 785 CB LYS A 48 86.834 -1.942 -1.764 1.00 0.00 C ATOM 786 CG LYS A 48 86.169 -3.310 -1.873 1.00 0.00 C ATOM 787 CD LYS A 48 87.107 -4.372 -1.295 1.00 0.00 C ATOM 788 CE LYS A 48 86.424 -5.733 -1.350 1.00 0.00 C ATOM 789 NZ LYS A 48 86.976 -6.499 -0.199 1.00 0.00 N ATOM 0 H LYS A 48 85.010 -2.116 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 48 87.333 -0.289 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 48 87.817 -2.042 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 48 86.244 -1.292 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 48 85.222 -3.311 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 48 85.943 -3.536 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.039 -4.397 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 48 87.365 -4.124 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 48 85.341 -5.633 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 48 86.630 -6.238 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 86.755 -7.508 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 88.008 -6.373 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 86.552 -6.151 0.685 1.00 0.00 H new ATOM 803 N GLU A 49 87.634 -3.171 -4.625 1.00 0.00 N ATOM 804 CA GLU A 49 88.673 -3.882 -5.428 1.00 0.00 C ATOM 805 C GLU A 49 89.260 -2.891 -6.429 1.00 0.00 C ATOM 806 O GLU A 49 90.462 -2.805 -6.598 1.00 0.00 O ATOM 807 CB GLU A 49 87.980 -5.047 -6.154 1.00 0.00 C ATOM 808 CG GLU A 49 87.137 -4.519 -7.319 1.00 0.00 C ATOM 809 CD GLU A 49 86.492 -5.697 -8.060 1.00 0.00 C ATOM 810 OE1 GLU A 49 85.608 -6.321 -7.495 1.00 0.00 O ATOM 811 OE2 GLU A 49 86.892 -5.952 -9.184 1.00 0.00 O ATOM 0 H GLU A 49 86.703 -3.589 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 49 89.478 -4.271 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 88.727 -5.749 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 49 87.346 -5.594 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 49 86.366 -3.844 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 49 87.762 -3.944 -8.002 1.00 0.00 H new ATOM 818 N SER A 50 88.427 -2.111 -7.067 1.00 0.00 N ATOM 819 CA SER A 50 88.953 -1.093 -8.022 1.00 0.00 C ATOM 820 C SER A 50 89.692 -0.011 -7.230 1.00 0.00 C ATOM 821 O SER A 50 90.735 0.474 -7.624 1.00 0.00 O ATOM 822 CB SER A 50 87.729 -0.500 -8.726 1.00 0.00 C ATOM 823 OG SER A 50 87.079 -1.508 -9.492 1.00 0.00 O ATOM 0 H SER A 50 87.412 -2.135 -6.969 1.00 0.00 H new ATOM 0 HA SER A 50 89.647 -1.520 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 50 87.039 -0.088 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 50 88.033 0.322 -9.373 1.00 0.00 H new ATOM 0 HG SER A 50 86.348 -1.896 -8.968 1.00 0.00 H new ATOM 829 N TYR A 51 89.148 0.357 -6.102 1.00 0.00 N ATOM 830 CA TYR A 51 89.786 1.389 -5.239 1.00 0.00 C ATOM 831 C TYR A 51 91.099 0.829 -4.675 1.00 0.00 C ATOM 832 O TYR A 51 92.016 1.558 -4.345 1.00 0.00 O ATOM 833 CB TYR A 51 88.754 1.577 -4.137 1.00 0.00 C ATOM 834 CG TYR A 51 89.140 2.690 -3.211 1.00 0.00 C ATOM 835 CD1 TYR A 51 90.170 2.498 -2.292 1.00 0.00 C ATOM 836 CD2 TYR A 51 88.439 3.898 -3.247 1.00 0.00 C ATOM 837 CE1 TYR A 51 90.511 3.521 -1.406 1.00 0.00 C ATOM 838 CE2 TYR A 51 88.771 4.921 -2.357 1.00 0.00 C ATOM 839 CZ TYR A 51 89.810 4.732 -1.434 1.00 0.00 C ATOM 840 OH TYR A 51 90.144 5.737 -0.551 1.00 0.00 O ATOM 0 H TYR A 51 88.274 -0.021 -5.737 1.00 0.00 H new ATOM 0 HA TYR A 51 90.036 2.319 -5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 51 87.781 1.791 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 51 88.650 0.651 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 51 90.703 1.559 -2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 51 87.642 4.040 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 51 91.315 3.378 -0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 51 88.229 5.855 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 51 91.018 6.107 -0.793 1.00 0.00 H new ATOM 850 N CYS A 52 91.175 -0.475 -4.547 1.00 0.00 N ATOM 851 CA CYS A 52 92.404 -1.120 -3.986 1.00 0.00 C ATOM 852 C CYS A 52 93.559 -1.081 -4.992 1.00 0.00 C ATOM 853 O CYS A 52 94.553 -0.438 -4.771 1.00 0.00 O ATOM 854 CB CYS A 52 91.989 -2.571 -3.707 1.00 0.00 C ATOM 855 SG CYS A 52 90.855 -2.617 -2.296 1.00 0.00 S ATOM 0 H CYS A 52 90.433 -1.124 -4.809 1.00 0.00 H new ATOM 0 HA CYS A 52 92.759 -0.606 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 52 91.508 -2.998 -4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 52 92.870 -3.178 -3.499 1.00 0.00 H new ATOM 0 HG CYS A 52 89.880 -1.780 -2.495 1.00 0.00 H new ATOM 861 N GLN A 53 93.441 -1.766 -6.095 1.00 0.00 N ATOM 862 CA GLN A 53 94.550 -1.761 -7.095 1.00 0.00 C ATOM 863 C GLN A 53 94.803 -0.344 -7.648 1.00 0.00 C ATOM 864 O GLN A 53 95.933 0.048 -7.867 1.00 0.00 O ATOM 865 CB GLN A 53 94.079 -2.709 -8.206 1.00 0.00 C ATOM 866 CG GLN A 53 94.042 -4.153 -7.678 1.00 0.00 C ATOM 867 CD GLN A 53 93.997 -5.134 -8.854 1.00 0.00 C ATOM 868 OE1 GLN A 53 93.029 -5.178 -9.587 1.00 0.00 O ATOM 869 NE2 GLN A 53 95.010 -5.932 -9.067 1.00 0.00 N ATOM 0 H GLN A 53 92.628 -2.328 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 53 95.495 -2.079 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 53 93.089 -2.414 -8.553 1.00 0.00 H new ATOM 0 HB3 GLN A 53 94.750 -2.642 -9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 53 94.921 -4.348 -7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 53 93.169 -4.295 -7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 53 95.824 -5.898 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 53 94.986 -6.589 -9.847 1.00 0.00 H new ATOM 878 N ARG A 54 93.769 0.421 -7.886 1.00 0.00 N ATOM 879 CA ARG A 54 93.965 1.803 -8.435 1.00 0.00 C ATOM 880 C ARG A 54 94.808 2.666 -7.489 1.00 0.00 C ATOM 881 O ARG A 54 95.600 3.482 -7.921 1.00 0.00 O ATOM 882 CB ARG A 54 92.557 2.393 -8.565 1.00 0.00 C ATOM 883 CG ARG A 54 92.631 3.714 -9.345 1.00 0.00 C ATOM 884 CD ARG A 54 91.232 4.322 -9.478 1.00 0.00 C ATOM 885 NE ARG A 54 91.419 5.559 -10.286 1.00 0.00 N ATOM 886 CZ ARG A 54 90.447 5.987 -11.038 1.00 0.00 C ATOM 887 NH1 ARG A 54 89.324 6.345 -10.487 1.00 0.00 N ATOM 888 NH2 ARG A 54 90.586 6.042 -12.336 1.00 0.00 N ATOM 0 H ARG A 54 92.798 0.152 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 54 94.495 1.775 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.902 1.690 -9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.129 2.564 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 54 93.293 4.412 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 54 93.056 3.539 -10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 54 90.547 3.631 -9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.807 4.551 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 54 92.303 6.067 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.212 6.289 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.556 6.682 -11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 54 91.462 5.748 -12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.819 6.379 -12.917 1.00 0.00 H new ATOM 902 N GLN A 55 94.620 2.523 -6.208 1.00 0.00 N ATOM 903 CA GLN A 55 95.388 3.369 -5.250 1.00 0.00 C ATOM 904 C GLN A 55 96.325 2.531 -4.377 1.00 0.00 C ATOM 905 O GLN A 55 97.371 2.988 -3.962 1.00 0.00 O ATOM 906 CB GLN A 55 94.310 4.044 -4.408 1.00 0.00 C ATOM 907 CG GLN A 55 93.446 4.917 -5.323 1.00 0.00 C ATOM 908 CD GLN A 55 92.487 5.768 -4.489 1.00 0.00 C ATOM 909 OE1 GLN A 55 92.519 6.981 -4.563 1.00 0.00 O ATOM 910 NE2 GLN A 55 91.634 5.189 -3.689 1.00 0.00 N ATOM 0 H GLN A 55 93.971 1.861 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 55 96.035 4.083 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.695 3.294 -3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 55 94.766 4.652 -3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 55 94.082 5.562 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 55 92.881 4.288 -6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 55 91.605 4.171 -3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 55 90.996 5.754 -3.128 1.00 0.00 H new ATOM 919 N GLY A 56 95.973 1.314 -4.097 1.00 0.00 N ATOM 920 CA GLY A 56 96.859 0.466 -3.258 1.00 0.00 C ATOM 921 C GLY A 56 96.058 -0.705 -2.694 1.00 0.00 C ATOM 922 O GLY A 56 95.108 -0.525 -1.961 1.00 0.00 O ATOM 0 H GLY A 56 95.111 0.868 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 56 97.695 0.096 -3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 56 97.282 1.056 -2.445 1.00 0.00 H new ATOM 926 N VAL A 57 96.436 -1.905 -3.033 1.00 0.00 N ATOM 927 CA VAL A 57 95.697 -3.094 -2.522 1.00 0.00 C ATOM 928 C VAL A 57 95.831 -3.208 -0.994 1.00 0.00 C ATOM 929 O VAL A 57 96.923 -3.235 -0.477 1.00 0.00 O ATOM 930 CB VAL A 57 96.363 -4.292 -3.185 1.00 0.00 C ATOM 931 CG1 VAL A 57 97.873 -4.201 -2.990 1.00 0.00 C ATOM 932 CG2 VAL A 57 95.861 -5.571 -2.518 1.00 0.00 C ATOM 0 H VAL A 57 97.226 -2.115 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 57 94.632 -3.028 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 57 96.125 -4.302 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 57 98.353 -5.057 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 98.244 -3.281 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 57 98.103 -4.199 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 57 96.333 -6.435 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 57 96.112 -5.551 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 57 94.779 -5.641 -2.633 1.00 0.00 H new ATOM 942 N PRO A 58 94.709 -3.278 -0.321 1.00 0.00 N ATOM 943 CA PRO A 58 94.691 -3.395 1.160 1.00 0.00 C ATOM 944 C PRO A 58 95.336 -4.706 1.632 1.00 0.00 C ATOM 945 O PRO A 58 95.685 -4.851 2.788 1.00 0.00 O ATOM 946 CB PRO A 58 93.197 -3.382 1.483 1.00 0.00 C ATOM 947 CG PRO A 58 92.411 -3.283 0.168 1.00 0.00 C ATOM 948 CD PRO A 58 93.398 -3.238 -0.996 1.00 0.00 C ATOM 0 HA PRO A 58 95.254 -2.603 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 58 92.919 -4.287 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 58 92.958 -2.539 2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 58 91.743 -4.138 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 58 91.787 -2.389 0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 58 93.265 -4.084 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 58 93.278 -2.333 -1.592 1.00 0.00 H new ATOM 956 N MET A 59 95.482 -5.667 0.761 1.00 0.00 N ATOM 957 CA MET A 59 96.090 -6.962 1.187 1.00 0.00 C ATOM 958 C MET A 59 97.354 -6.701 2.001 1.00 0.00 C ATOM 959 O MET A 59 97.784 -7.530 2.780 1.00 0.00 O ATOM 960 CB MET A 59 96.464 -7.686 -0.110 1.00 0.00 C ATOM 961 CG MET A 59 96.907 -9.113 0.223 1.00 0.00 C ATOM 962 SD MET A 59 97.770 -9.843 -1.197 1.00 0.00 S ATOM 963 CE MET A 59 96.317 -10.271 -2.192 1.00 0.00 C ATOM 0 H MET A 59 95.209 -5.614 -0.220 1.00 0.00 H new ATOM 0 HA MET A 59 95.405 -7.545 1.803 1.00 0.00 H new ATOM 0 HB2 MET A 59 95.612 -7.706 -0.789 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.266 -7.153 -0.621 1.00 0.00 H new ATOM 0 HG2 MET A 59 97.564 -9.105 1.093 1.00 0.00 H new ATOM 0 HG3 MET A 59 96.040 -9.720 0.483 1.00 0.00 H new ATOM 0 HE1 MET A 59 96.637 -10.755 -3.114 1.00 0.00 H new ATOM 0 HE2 MET A 59 95.677 -10.950 -1.629 1.00 0.00 H new ATOM 0 HE3 MET A 59 95.761 -9.365 -2.432 1.00 0.00 H new ATOM 973 N ASN A 60 97.971 -5.569 1.802 1.00 0.00 N ATOM 974 CA ASN A 60 99.228 -5.275 2.541 1.00 0.00 C ATOM 975 C ASN A 60 99.002 -4.309 3.713 1.00 0.00 C ATOM 976 O ASN A 60 99.524 -4.518 4.792 1.00 0.00 O ATOM 977 CB ASN A 60 100.156 -4.631 1.506 1.00 0.00 C ATOM 978 CG ASN A 60 99.818 -3.141 1.357 1.00 0.00 C ATOM 979 OD1 ASN A 60 100.235 -2.333 2.163 1.00 0.00 O ATOM 980 ND2 ASN A 60 99.069 -2.739 0.373 1.00 0.00 N ATOM 0 H ASN A 60 97.660 -4.838 1.162 1.00 0.00 H new ATOM 0 HA ASN A 60 99.641 -6.184 2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 60 101.195 -4.748 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 60 100.049 -5.135 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 60 98.835 -1.751 0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 60 98.716 -3.412 -0.307 1.00 0.00 H new ATOM 987 N SER A 61 98.285 -3.227 3.525 1.00 0.00 N ATOM 988 CA SER A 61 98.146 -2.285 4.680 1.00 0.00 C ATOM 989 C SER A 61 96.779 -1.613 4.799 1.00 0.00 C ATOM 990 O SER A 61 96.455 -1.086 5.845 1.00 0.00 O ATOM 991 CB SER A 61 99.211 -1.219 4.449 1.00 0.00 C ATOM 992 OG SER A 61 100.498 -1.800 4.595 1.00 0.00 O ATOM 0 H SER A 61 97.809 -2.962 2.663 1.00 0.00 H new ATOM 0 HA SER A 61 98.259 -2.845 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 61 99.104 -0.792 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 61 99.085 -0.403 5.161 1.00 0.00 H new ATOM 0 HG SER A 61 100.787 -2.174 3.737 1.00 0.00 H new ATOM 998 N LEU A 62 95.978 -1.575 3.779 1.00 0.00 N ATOM 999 CA LEU A 62 94.669 -0.875 3.957 1.00 0.00 C ATOM 1000 C LEU A 62 93.584 -1.834 4.452 1.00 0.00 C ATOM 1001 O LEU A 62 93.503 -2.971 4.036 1.00 0.00 O ATOM 1002 CB LEU A 62 94.270 -0.303 2.594 1.00 0.00 C ATOM 1003 CG LEU A 62 95.300 0.729 2.141 1.00 0.00 C ATOM 1004 CD1 LEU A 62 96.527 0.020 1.581 1.00 0.00 C ATOM 1005 CD2 LEU A 62 94.682 1.613 1.057 1.00 0.00 C ATOM 0 H LEU A 62 96.155 -1.979 2.860 1.00 0.00 H new ATOM 0 HA LEU A 62 94.772 -0.089 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 62 94.199 -1.106 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 62 93.284 0.158 2.658 1.00 0.00 H new ATOM 0 HG LEU A 62 95.598 1.343 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 62 97.259 0.760 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 62 96.966 -0.613 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 62 96.235 -0.595 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.413 2.352 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 94.386 0.995 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 62 93.806 2.122 1.459 1.00 0.00 H new ATOM 1017 N ARG A 63 92.736 -1.360 5.326 1.00 0.00 N ATOM 1018 CA ARG A 63 91.622 -2.207 5.841 1.00 0.00 C ATOM 1019 C ARG A 63 90.303 -1.493 5.571 1.00 0.00 C ATOM 1020 O ARG A 63 90.233 -0.289 5.657 1.00 0.00 O ATOM 1021 CB ARG A 63 91.865 -2.340 7.342 1.00 0.00 C ATOM 1022 CG ARG A 63 90.832 -3.294 7.938 1.00 0.00 C ATOM 1023 CD ARG A 63 91.013 -3.336 9.453 1.00 0.00 C ATOM 1024 NE ARG A 63 92.292 -4.065 9.659 1.00 0.00 N ATOM 1025 CZ ARG A 63 92.274 -5.295 10.084 1.00 0.00 C ATOM 1026 NH1 ARG A 63 91.494 -5.627 11.074 1.00 0.00 N ATOM 1027 NH2 ARG A 63 93.033 -6.189 9.515 1.00 0.00 N ATOM 0 H ARG A 63 92.768 -0.415 5.708 1.00 0.00 H new ATOM 0 HA ARG A 63 91.580 -3.187 5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 63 92.872 -2.714 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 63 91.794 -1.364 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.824 -2.962 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.953 -4.292 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 91.057 -2.332 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 63 90.182 -3.849 9.937 1.00 0.00 H new ATOM 0 HE ARG A 63 93.181 -3.603 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 63 90.900 -4.924 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 63 91.478 -6.590 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 63 93.639 -5.924 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 63 93.021 -7.154 9.846 1.00 0.00 H new ATOM 1041 N PHE A 64 89.255 -2.198 5.224 1.00 0.00 N ATOM 1042 CA PHE A 64 87.974 -1.480 4.936 1.00 0.00 C ATOM 1043 C PHE A 64 86.951 -1.599 6.057 1.00 0.00 C ATOM 1044 O PHE A 64 86.583 -2.678 6.501 1.00 0.00 O ATOM 1045 CB PHE A 64 87.380 -2.103 3.677 1.00 0.00 C ATOM 1046 CG PHE A 64 88.166 -1.717 2.461 1.00 0.00 C ATOM 1047 CD1 PHE A 64 88.162 -0.387 2.028 1.00 0.00 C ATOM 1048 CD2 PHE A 64 88.866 -2.687 1.747 1.00 0.00 C ATOM 1049 CE1 PHE A 64 88.868 -0.026 0.879 1.00 0.00 C ATOM 1050 CE2 PHE A 64 89.568 -2.329 0.595 1.00 0.00 C ATOM 1051 CZ PHE A 64 89.572 -0.997 0.160 1.00 0.00 C ATOM 0 H PHE A 64 89.228 -3.213 5.129 1.00 0.00 H new ATOM 0 HA PHE A 64 88.199 -0.420 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 64 87.367 -3.188 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 64 86.345 -1.781 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 64 87.613 0.360 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 64 88.865 -3.713 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 64 88.870 1.001 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 64 90.109 -3.080 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 64 90.118 -0.721 -0.730 1.00 0.00 H new ATOM 1061 N LEU A 65 86.436 -0.473 6.448 1.00 0.00 N ATOM 1062 CA LEU A 65 85.376 -0.437 7.475 1.00 0.00 C ATOM 1063 C LEU A 65 84.090 -0.060 6.741 1.00 0.00 C ATOM 1064 O LEU A 65 84.083 0.866 5.957 1.00 0.00 O ATOM 1065 CB LEU A 65 85.817 0.653 8.454 1.00 0.00 C ATOM 1066 CG LEU A 65 84.841 0.705 9.615 1.00 0.00 C ATOM 1067 CD1 LEU A 65 84.713 -0.696 10.202 1.00 0.00 C ATOM 1068 CD2 LEU A 65 85.370 1.670 10.680 1.00 0.00 C ATOM 0 H LEU A 65 86.713 0.441 6.089 1.00 0.00 H new ATOM 0 HA LEU A 65 85.211 -1.372 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 65 86.823 0.446 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.853 1.619 7.950 1.00 0.00 H new ATOM 0 HG LEU A 65 83.866 1.053 9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 65 84.015 -0.678 11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.344 -1.379 9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.688 -1.035 10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 65 84.671 1.709 11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 65 86.340 1.323 11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 65 85.476 2.665 10.249 1.00 0.00 H new ATOM 1080 N PHE A 66 83.017 -0.778 6.916 1.00 0.00 N ATOM 1081 CA PHE A 66 81.799 -0.415 6.131 1.00 0.00 C ATOM 1082 C PHE A 66 80.628 -0.033 7.060 1.00 0.00 C ATOM 1083 O PHE A 66 80.579 1.072 7.560 1.00 0.00 O ATOM 1084 CB PHE A 66 81.540 -1.663 5.270 1.00 0.00 C ATOM 1085 CG PHE A 66 80.832 -1.275 3.995 1.00 0.00 C ATOM 1086 CD1 PHE A 66 79.454 -1.043 3.981 1.00 0.00 C ATOM 1087 CD2 PHE A 66 81.574 -1.159 2.812 1.00 0.00 C ATOM 1088 CE1 PHE A 66 78.818 -0.693 2.780 1.00 0.00 C ATOM 1089 CE2 PHE A 66 80.941 -0.809 1.615 1.00 0.00 C ATOM 1090 CZ PHE A 66 79.563 -0.576 1.599 1.00 0.00 C ATOM 0 H PHE A 66 82.926 -1.575 7.546 1.00 0.00 H new ATOM 0 HA PHE A 66 81.922 0.471 5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 66 82.484 -2.155 5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 66 80.936 -2.380 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 66 78.880 -1.133 4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 66 82.639 -1.341 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 66 77.753 -0.514 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.516 -0.719 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 66 79.072 -0.306 0.676 1.00 0.00 H new ATOM 1100 N GLU A 67 79.697 -0.910 7.310 1.00 0.00 N ATOM 1101 CA GLU A 67 78.568 -0.555 8.220 1.00 0.00 C ATOM 1102 C GLU A 67 79.121 -0.048 9.557 1.00 0.00 C ATOM 1103 O GLU A 67 78.509 0.757 10.230 1.00 0.00 O ATOM 1104 CB GLU A 67 77.810 -1.866 8.423 1.00 0.00 C ATOM 1105 CG GLU A 67 78.750 -2.903 9.046 1.00 0.00 C ATOM 1106 CD GLU A 67 77.930 -4.060 9.609 1.00 0.00 C ATOM 1107 OE1 GLU A 67 76.824 -3.811 10.056 1.00 0.00 O ATOM 1108 OE2 GLU A 67 78.424 -5.175 9.588 1.00 0.00 O ATOM 0 H GLU A 67 79.667 -1.855 6.926 1.00 0.00 H new ATOM 0 HA GLU A 67 77.931 0.231 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 67 76.948 -1.705 9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 67 77.429 -2.230 7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 67 79.451 -3.271 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 67 79.342 -2.444 9.838 1.00 0.00 H new ATOM 1115 N GLY A 68 80.274 -0.520 9.947 1.00 0.00 N ATOM 1116 CA GLY A 68 80.858 -0.069 11.241 1.00 0.00 C ATOM 1117 C GLY A 68 82.105 -0.885 11.559 1.00 0.00 C ATOM 1118 O GLY A 68 83.017 -0.411 12.204 1.00 0.00 O ATOM 0 H GLY A 68 80.834 -1.196 9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.110 0.990 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.125 -0.182 12.040 1.00 0.00 H new ATOM 1122 N GLN A 69 82.143 -2.116 11.137 1.00 0.00 N ATOM 1123 CA GLN A 69 83.322 -2.965 11.441 1.00 0.00 C ATOM 1124 C GLN A 69 84.000 -3.405 10.148 1.00 0.00 C ATOM 1125 O GLN A 69 83.422 -3.315 9.080 1.00 0.00 O ATOM 1126 CB GLN A 69 82.735 -4.174 12.167 1.00 0.00 C ATOM 1127 CG GLN A 69 81.924 -5.036 11.195 1.00 0.00 C ATOM 1128 CD GLN A 69 81.549 -6.336 11.902 1.00 0.00 C ATOM 1129 OE1 GLN A 69 81.518 -6.391 13.115 1.00 0.00 O ATOM 1130 NE2 GLN A 69 81.258 -7.391 11.195 1.00 0.00 N ATOM 0 H GLN A 69 81.408 -2.570 10.595 1.00 0.00 H new ATOM 0 HA GLN A 69 84.074 -2.444 12.033 1.00 0.00 H new ATOM 0 HB2 GLN A 69 83.537 -4.767 12.607 1.00 0.00 H new ATOM 0 HB3 GLN A 69 82.098 -3.841 12.986 1.00 0.00 H new ATOM 0 HG2 GLN A 69 81.027 -4.506 10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 69 82.506 -5.246 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 69 81.284 -7.345 10.176 1.00 0.00 H new ATOM 0 HE22 GLN A 69 81.004 -8.263 11.660 1.00 0.00 H new ATOM 1139 N ARG A 70 85.215 -3.885 10.217 1.00 0.00 N ATOM 1140 CA ARG A 70 85.872 -4.335 8.959 1.00 0.00 C ATOM 1141 C ARG A 70 84.995 -5.421 8.340 1.00 0.00 C ATOM 1142 O ARG A 70 84.666 -6.399 8.983 1.00 0.00 O ATOM 1143 CB ARG A 70 87.229 -4.918 9.366 1.00 0.00 C ATOM 1144 CG ARG A 70 88.032 -5.255 8.104 1.00 0.00 C ATOM 1145 CD ARG A 70 89.258 -6.085 8.487 1.00 0.00 C ATOM 1146 NE ARG A 70 89.837 -6.546 7.196 1.00 0.00 N ATOM 1147 CZ ARG A 70 89.385 -7.630 6.632 1.00 0.00 C ATOM 1148 NH1 ARG A 70 88.225 -8.110 6.992 1.00 0.00 N ATOM 1149 NH2 ARG A 70 90.095 -8.230 5.714 1.00 0.00 N ATOM 0 H ARG A 70 85.768 -3.983 11.069 1.00 0.00 H new ATOM 0 HA ARG A 70 86.005 -3.528 8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 70 87.776 -4.202 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 70 87.087 -5.813 9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 70 87.410 -5.809 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 70 88.342 -4.339 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 70 89.976 -5.489 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 70 88.980 -6.929 9.118 1.00 0.00 H new ATOM 0 HE ARG A 70 90.586 -6.014 6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 70 87.678 -7.637 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 70 87.866 -8.958 6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 70 91.001 -7.850 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 70 89.743 -9.079 5.271 1.00 0.00 H new ATOM 1163 N ILE A 71 84.581 -5.249 7.118 1.00 0.00 N ATOM 1164 CA ILE A 71 83.679 -6.277 6.500 1.00 0.00 C ATOM 1165 C ILE A 71 84.298 -6.905 5.252 1.00 0.00 C ATOM 1166 O ILE A 71 85.268 -6.417 4.708 1.00 0.00 O ATOM 1167 CB ILE A 71 82.419 -5.501 6.103 1.00 0.00 C ATOM 1168 CG1 ILE A 71 82.705 -4.654 4.847 1.00 0.00 C ATOM 1169 CG2 ILE A 71 82.037 -4.581 7.263 1.00 0.00 C ATOM 1170 CD1 ILE A 71 81.390 -4.245 4.180 1.00 0.00 C ATOM 0 H ILE A 71 84.819 -4.456 6.522 1.00 0.00 H new ATOM 0 HA ILE A 71 83.487 -7.094 7.195 1.00 0.00 H new ATOM 0 HB ILE A 71 81.605 -6.193 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 71 83.275 -3.766 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 71 83.316 -5.223 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 71 81.141 -4.018 7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 71 81.843 -5.179 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 71 82.855 -3.889 7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 71 81.602 -3.647 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 71 80.835 -5.138 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 71 80.794 -3.658 4.879 1.00 0.00 H new ATOM 1182 N ALA A 72 83.706 -7.966 4.774 1.00 0.00 N ATOM 1183 CA ALA A 72 84.211 -8.613 3.532 1.00 0.00 C ATOM 1184 C ALA A 72 83.502 -7.974 2.327 1.00 0.00 C ATOM 1185 O ALA A 72 83.003 -6.870 2.419 1.00 0.00 O ATOM 1186 CB ALA A 72 83.830 -10.084 3.663 1.00 0.00 C ATOM 0 H ALA A 72 82.891 -8.413 5.193 1.00 0.00 H new ATOM 0 HA ALA A 72 85.286 -8.496 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 72 84.170 -10.628 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 72 84.300 -10.504 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 72 82.747 -10.173 3.749 1.00 0.00 H new ATOM 1192 N ASP A 73 83.446 -8.640 1.202 1.00 0.00 N ATOM 1193 CA ASP A 73 82.762 -8.036 0.024 1.00 0.00 C ATOM 1194 C ASP A 73 81.822 -9.041 -0.650 1.00 0.00 C ATOM 1195 O ASP A 73 81.883 -9.250 -1.846 1.00 0.00 O ATOM 1196 CB ASP A 73 83.896 -7.634 -0.913 1.00 0.00 C ATOM 1197 CG ASP A 73 84.680 -8.877 -1.347 1.00 0.00 C ATOM 1198 OD1 ASP A 73 84.117 -9.958 -1.302 1.00 0.00 O ATOM 1199 OD2 ASP A 73 85.835 -8.724 -1.712 1.00 0.00 O ATOM 0 H ASP A 73 83.841 -9.568 1.050 1.00 0.00 H new ATOM 0 HA ASP A 73 82.136 -7.189 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.493 -7.124 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 73 84.561 -6.930 -0.412 1.00 0.00 H new ATOM 1204 N ASN A 74 80.961 -9.669 0.102 1.00 0.00 N ATOM 1205 CA ASN A 74 80.020 -10.662 -0.510 1.00 0.00 C ATOM 1206 C ASN A 74 78.627 -10.588 0.143 1.00 0.00 C ATOM 1207 O ASN A 74 77.815 -11.480 -0.013 1.00 0.00 O ATOM 1208 CB ASN A 74 80.674 -12.037 -0.291 1.00 0.00 C ATOM 1209 CG ASN A 74 80.616 -12.459 1.186 1.00 0.00 C ATOM 1210 OD1 ASN A 74 80.305 -11.592 2.112 1.00 0.00 O flip ATOM 1211 ND2 ASN A 74 80.860 -13.605 1.501 1.00 0.00 N flip ATOM 0 H ASN A 74 80.865 -9.542 1.109 1.00 0.00 H new ATOM 0 HA ASN A 74 79.858 -10.463 -1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 74 80.169 -12.783 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 74 81.712 -12.004 -0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 74 81.104 -14.290 0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 74 80.821 -13.884 2.481 1.00 0.00 H new ATOM 1218 N HIS A 75 78.342 -9.540 0.878 1.00 0.00 N ATOM 1219 CA HIS A 75 76.997 -9.433 1.535 1.00 0.00 C ATOM 1220 C HIS A 75 76.297 -8.126 1.151 1.00 0.00 C ATOM 1221 O HIS A 75 76.070 -7.262 1.975 1.00 0.00 O ATOM 1222 CB HIS A 75 77.270 -9.472 3.040 1.00 0.00 C ATOM 1223 CG HIS A 75 78.311 -8.450 3.392 1.00 0.00 C ATOM 1224 ND1 HIS A 75 78.254 -7.087 3.539 1.00 0.00 N flip ATOM 1225 CD2 HIS A 75 79.628 -8.802 3.634 1.00 0.00 C flip ATOM 1226 CE1 HIS A 75 79.514 -6.600 3.870 1.00 0.00 C flip ATOM 1227 NE2 HIS A 75 80.305 -7.675 3.913 1.00 0.00 N flip ATOM 0 H HIS A 75 78.975 -8.759 1.052 1.00 0.00 H new ATOM 0 HA HIS A 75 76.337 -10.241 1.220 1.00 0.00 H new ATOM 0 HB2 HIS A 75 76.351 -9.274 3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 75 77.609 -10.466 3.332 1.00 0.00 H new ATOM 0 HD2 HIS A 75 80.037 -9.801 3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 75 79.793 -5.573 4.053 1.00 0.00 H new ATOM 0 HE2 HIS A 75 81.301 -7.645 4.131 1.00 0.00 H new ATOM 1235 N THR A 76 75.941 -7.980 -0.095 1.00 0.00 N ATOM 1236 CA THR A 76 75.252 -6.735 -0.533 1.00 0.00 C ATOM 1237 C THR A 76 73.918 -6.537 0.234 1.00 0.00 C ATOM 1238 O THR A 76 73.627 -5.439 0.674 1.00 0.00 O ATOM 1239 CB THR A 76 74.994 -6.930 -2.033 1.00 0.00 C ATOM 1240 OG1 THR A 76 76.218 -7.199 -2.700 1.00 0.00 O ATOM 1241 CG2 THR A 76 74.377 -5.661 -2.613 1.00 0.00 C ATOM 0 H THR A 76 76.098 -8.670 -0.829 1.00 0.00 H new ATOM 0 HA THR A 76 75.852 -5.848 -0.332 1.00 0.00 H new ATOM 0 HB THR A 76 74.312 -7.769 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 76 76.035 -7.646 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.194 -5.800 -3.679 1.00 0.00 H new ATOM 0 HG22 THR A 76 73.435 -5.451 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 76 75.061 -4.825 -2.468 1.00 0.00 H new ATOM 1249 N PRO A 77 73.141 -7.599 0.379 1.00 0.00 N ATOM 1250 CA PRO A 77 71.838 -7.506 1.102 1.00 0.00 C ATOM 1251 C PRO A 77 72.012 -7.203 2.600 1.00 0.00 C ATOM 1252 O PRO A 77 71.166 -6.579 3.210 1.00 0.00 O ATOM 1253 CB PRO A 77 71.249 -8.910 0.914 1.00 0.00 C ATOM 1254 CG PRO A 77 72.227 -9.750 0.074 1.00 0.00 C ATOM 1255 CD PRO A 77 73.502 -8.934 -0.161 1.00 0.00 C ATOM 0 HA PRO A 77 71.214 -6.697 0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.082 -9.382 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 77 70.281 -8.850 0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 77 72.464 -10.681 0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 77 71.771 -10.020 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.359 -9.363 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.763 -8.886 -1.218 1.00 0.00 H new ATOM 1263 N LYS A 78 73.076 -7.662 3.204 1.00 0.00 N ATOM 1264 CA LYS A 78 73.260 -7.418 4.669 1.00 0.00 C ATOM 1265 C LYS A 78 73.307 -5.913 4.990 1.00 0.00 C ATOM 1266 O LYS A 78 72.314 -5.317 5.354 1.00 0.00 O ATOM 1267 CB LYS A 78 74.595 -8.099 5.022 1.00 0.00 C ATOM 1268 CG LYS A 78 74.857 -7.988 6.528 1.00 0.00 C ATOM 1269 CD LYS A 78 76.310 -8.360 6.837 1.00 0.00 C ATOM 1270 CE LYS A 78 76.715 -7.684 8.145 1.00 0.00 C ATOM 1271 NZ LYS A 78 77.989 -8.336 8.551 1.00 0.00 N ATOM 0 H LYS A 78 73.822 -8.192 2.752 1.00 0.00 H new ATOM 0 HA LYS A 78 72.429 -7.817 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 78 74.568 -9.148 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 78 75.409 -7.632 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 78 74.653 -6.972 6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 78 74.181 -8.647 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 78 76.414 -9.442 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 78 76.964 -8.039 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 78 76.850 -6.611 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 78 75.947 -7.813 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 78.324 -7.919 9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 77.831 -9.355 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 78.705 -8.190 7.811 1.00 0.00 H new ATOM 1285 N GLU A 79 74.457 -5.298 4.868 1.00 0.00 N ATOM 1286 CA GLU A 79 74.584 -3.839 5.179 1.00 0.00 C ATOM 1287 C GLU A 79 74.914 -3.038 3.914 1.00 0.00 C ATOM 1288 O GLU A 79 75.280 -1.882 3.975 1.00 0.00 O ATOM 1289 CB GLU A 79 75.739 -3.768 6.182 1.00 0.00 C ATOM 1290 CG GLU A 79 75.277 -4.300 7.540 1.00 0.00 C ATOM 1291 CD GLU A 79 74.433 -3.236 8.236 1.00 0.00 C ATOM 1292 OE1 GLU A 79 74.437 -2.108 7.771 1.00 0.00 O ATOM 1293 OE2 GLU A 79 73.797 -3.564 9.225 1.00 0.00 O ATOM 0 H GLU A 79 75.321 -5.747 4.564 1.00 0.00 H new ATOM 0 HA GLU A 79 73.660 -3.415 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 79 76.584 -4.353 5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 79 76.084 -2.739 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 79 74.696 -5.213 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.139 -4.557 8.155 1.00 0.00 H new ATOM 1300 N LEU A 80 74.795 -3.647 2.774 1.00 0.00 N ATOM 1301 CA LEU A 80 75.107 -2.939 1.510 1.00 0.00 C ATOM 1302 C LEU A 80 73.811 -2.607 0.773 1.00 0.00 C ATOM 1303 O LEU A 80 73.801 -2.310 -0.407 1.00 0.00 O ATOM 1304 CB LEU A 80 75.927 -3.955 0.744 1.00 0.00 C ATOM 1305 CG LEU A 80 77.407 -3.824 1.097 1.00 0.00 C ATOM 1306 CD1 LEU A 80 77.632 -4.130 2.579 1.00 0.00 C ATOM 1307 CD2 LEU A 80 78.189 -4.828 0.257 1.00 0.00 C ATOM 0 H LEU A 80 74.492 -4.615 2.663 1.00 0.00 H new ATOM 0 HA LEU A 80 75.632 -1.994 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.579 -4.962 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.788 -3.810 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 80 77.740 -2.806 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.692 -4.032 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.059 -3.429 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.305 -5.147 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 80 79.250 -4.752 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.840 -5.837 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 80 78.037 -4.614 -0.801 1.00 0.00 H new ATOM 1319 N GLY A 81 72.714 -2.664 1.475 1.00 0.00 N ATOM 1320 CA GLY A 81 71.396 -2.366 0.852 1.00 0.00 C ATOM 1321 C GLY A 81 71.363 -0.931 0.317 1.00 0.00 C ATOM 1322 O GLY A 81 70.418 -0.535 -0.335 1.00 0.00 O ATOM 0 H GLY A 81 72.675 -2.907 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 81 71.205 -3.067 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.602 -2.504 1.585 1.00 0.00 H new ATOM 1326 N MET A 82 72.367 -0.136 0.586 1.00 0.00 N ATOM 1327 CA MET A 82 72.339 1.266 0.076 1.00 0.00 C ATOM 1328 C MET A 82 72.791 1.304 -1.383 1.00 0.00 C ATOM 1329 O MET A 82 73.923 1.005 -1.707 1.00 0.00 O ATOM 1330 CB MET A 82 73.318 2.048 0.954 1.00 0.00 C ATOM 1331 CG MET A 82 72.845 2.014 2.410 1.00 0.00 C ATOM 1332 SD MET A 82 73.492 3.455 3.295 1.00 0.00 S ATOM 1333 CE MET A 82 72.575 4.719 2.376 1.00 0.00 C ATOM 0 H MET A 82 73.192 -0.392 1.128 1.00 0.00 H new ATOM 0 HA MET A 82 71.336 1.690 0.117 1.00 0.00 H new ATOM 0 HB2 MET A 82 74.316 1.617 0.876 1.00 0.00 H new ATOM 0 HB3 MET A 82 73.388 3.079 0.608 1.00 0.00 H new ATOM 0 HG2 MET A 82 71.756 2.010 2.449 1.00 0.00 H new ATOM 0 HG3 MET A 82 73.184 1.097 2.891 1.00 0.00 H new ATOM 0 HE1 MET A 82 73.191 5.612 2.273 1.00 0.00 H new ATOM 0 HE2 MET A 82 72.321 4.337 1.387 1.00 0.00 H new ATOM 0 HE3 MET A 82 71.661 4.969 2.914 1.00 0.00 H new ATOM 1343 N GLU A 83 71.909 1.673 -2.267 1.00 0.00 N ATOM 1344 CA GLU A 83 72.285 1.731 -3.710 1.00 0.00 C ATOM 1345 C GLU A 83 72.405 3.183 -4.188 1.00 0.00 C ATOM 1346 O GLU A 83 72.436 3.452 -5.369 1.00 0.00 O ATOM 1347 CB GLU A 83 71.178 0.997 -4.476 1.00 0.00 C ATOM 1348 CG GLU A 83 69.822 1.661 -4.225 1.00 0.00 C ATOM 1349 CD GLU A 83 68.709 0.717 -4.679 1.00 0.00 C ATOM 1350 OE1 GLU A 83 68.910 0.031 -5.667 1.00 0.00 O ATOM 1351 OE2 GLU A 83 67.681 0.690 -4.023 1.00 0.00 O ATOM 0 H GLU A 83 70.946 1.937 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 83 73.256 1.266 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 83 71.401 1.003 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 83 71.142 -0.047 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.708 1.894 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 83 69.759 2.604 -4.768 1.00 0.00 H new ATOM 1358 N GLU A 84 72.464 4.123 -3.281 1.00 0.00 N ATOM 1359 CA GLU A 84 72.579 5.551 -3.703 1.00 0.00 C ATOM 1360 C GLU A 84 73.642 6.279 -2.866 1.00 0.00 C ATOM 1361 O GLU A 84 74.283 7.197 -3.329 1.00 0.00 O ATOM 1362 CB GLU A 84 71.189 6.144 -3.465 1.00 0.00 C ATOM 1363 CG GLU A 84 70.186 5.448 -4.382 1.00 0.00 C ATOM 1364 CD GLU A 84 68.793 6.038 -4.158 1.00 0.00 C ATOM 1365 OE1 GLU A 84 68.638 6.791 -3.212 1.00 0.00 O ATOM 1366 OE2 GLU A 84 67.905 5.729 -4.937 1.00 0.00 O ATOM 0 H GLU A 84 72.438 3.966 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 84 72.890 5.651 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 84 70.898 6.015 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 84 71.198 7.216 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 84 70.482 5.573 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 84 70.175 4.377 -4.180 1.00 0.00 H new ATOM 1373 N GLU A 85 73.824 5.886 -1.635 1.00 0.00 N ATOM 1374 CA GLU A 85 74.837 6.564 -0.775 1.00 0.00 C ATOM 1375 C GLU A 85 75.510 5.544 0.154 1.00 0.00 C ATOM 1376 O GLU A 85 74.851 4.725 0.765 1.00 0.00 O ATOM 1377 CB GLU A 85 74.037 7.582 0.038 1.00 0.00 C ATOM 1378 CG GLU A 85 75.008 8.424 0.866 1.00 0.00 C ATOM 1379 CD GLU A 85 74.227 9.393 1.756 1.00 0.00 C ATOM 1380 OE1 GLU A 85 73.533 8.924 2.643 1.00 0.00 O ATOM 1381 OE2 GLU A 85 74.343 10.591 1.541 1.00 0.00 O ATOM 0 H GLU A 85 73.315 5.124 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 85 75.630 7.034 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 85 73.455 8.221 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 85 73.329 7.071 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 85 75.633 7.776 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 85 75.675 8.979 0.207 1.00 0.00 H new ATOM 1388 N ASP A 86 76.815 5.557 0.244 1.00 0.00 N ATOM 1389 CA ASP A 86 77.505 4.557 1.115 1.00 0.00 C ATOM 1390 C ASP A 86 78.771 5.160 1.747 1.00 0.00 C ATOM 1391 O ASP A 86 79.318 6.127 1.257 1.00 0.00 O ATOM 1392 CB ASP A 86 77.841 3.411 0.159 1.00 0.00 C ATOM 1393 CG ASP A 86 78.189 2.162 0.966 1.00 0.00 C ATOM 1394 OD1 ASP A 86 79.056 2.254 1.820 1.00 0.00 O ATOM 1395 OD2 ASP A 86 77.579 1.136 0.719 1.00 0.00 O ATOM 0 H ASP A 86 77.429 6.210 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 86 76.893 4.228 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 86 76.994 3.209 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 86 78.679 3.690 -0.480 1.00 0.00 H new ATOM 1400 N VAL A 87 79.228 4.613 2.845 1.00 0.00 N ATOM 1401 CA VAL A 87 80.436 5.180 3.511 1.00 0.00 C ATOM 1402 C VAL A 87 81.352 4.081 4.056 1.00 0.00 C ATOM 1403 O VAL A 87 80.929 3.216 4.796 1.00 0.00 O ATOM 1404 CB VAL A 87 79.870 5.982 4.676 1.00 0.00 C ATOM 1405 CG1 VAL A 87 79.311 5.012 5.723 1.00 0.00 C ATOM 1406 CG2 VAL A 87 80.986 6.811 5.305 1.00 0.00 C ATOM 0 H VAL A 87 78.817 3.801 3.306 1.00 0.00 H new ATOM 0 HA VAL A 87 81.036 5.768 2.817 1.00 0.00 H new ATOM 0 HB VAL A 87 79.079 6.642 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 87 78.903 5.577 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 87 78.522 4.408 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 87 80.109 4.361 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 87 80.586 7.387 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 87 81.772 6.148 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 87 81.398 7.491 4.560 1.00 0.00 H new ATOM 1416 N ILE A 88 82.612 4.134 3.731 1.00 0.00 N ATOM 1417 CA ILE A 88 83.562 3.122 4.265 1.00 0.00 C ATOM 1418 C ILE A 88 84.782 3.821 4.853 1.00 0.00 C ATOM 1419 O ILE A 88 85.327 4.733 4.264 1.00 0.00 O ATOM 1420 CB ILE A 88 83.994 2.277 3.074 1.00 0.00 C ATOM 1421 CG1 ILE A 88 82.820 1.462 2.541 1.00 0.00 C ATOM 1422 CG2 ILE A 88 85.091 1.319 3.528 1.00 0.00 C ATOM 1423 CD1 ILE A 88 82.241 2.128 1.287 1.00 0.00 C ATOM 0 H ILE A 88 83.026 4.836 3.117 1.00 0.00 H new ATOM 0 HA ILE A 88 83.101 2.518 5.046 1.00 0.00 H new ATOM 0 HB ILE A 88 84.356 2.935 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 88 83.147 0.449 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 88 82.049 1.378 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 88 85.411 0.706 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 88 85.940 1.890 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 88 84.707 0.675 4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 88 81.404 1.538 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 88 81.896 3.132 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 88 83.012 2.189 0.519 1.00 0.00 H new ATOM 1435 N GLU A 89 85.246 3.385 5.983 1.00 0.00 N ATOM 1436 CA GLU A 89 86.461 4.013 6.557 1.00 0.00 C ATOM 1437 C GLU A 89 87.600 3.015 6.442 1.00 0.00 C ATOM 1438 O GLU A 89 87.446 1.849 6.743 1.00 0.00 O ATOM 1439 CB GLU A 89 86.139 4.303 8.020 1.00 0.00 C ATOM 1440 CG GLU A 89 84.970 5.278 8.099 1.00 0.00 C ATOM 1441 CD GLU A 89 84.951 5.902 9.490 1.00 0.00 C ATOM 1442 OE1 GLU A 89 85.595 5.354 10.368 1.00 0.00 O ATOM 1443 OE2 GLU A 89 84.301 6.920 9.655 1.00 0.00 O ATOM 0 H GLU A 89 84.841 2.627 6.532 1.00 0.00 H new ATOM 0 HA GLU A 89 86.750 4.931 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 89 85.890 3.377 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 89 87.012 4.724 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 89 85.071 6.052 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 89 84.031 4.760 7.904 1.00 0.00 H new ATOM 1450 N VAL A 90 88.738 3.434 5.990 1.00 0.00 N ATOM 1451 CA VAL A 90 89.844 2.453 5.849 1.00 0.00 C ATOM 1452 C VAL A 90 90.973 2.747 6.822 1.00 0.00 C ATOM 1453 O VAL A 90 91.438 3.863 6.945 1.00 0.00 O ATOM 1454 CB VAL A 90 90.356 2.538 4.399 1.00 0.00 C ATOM 1455 CG1 VAL A 90 89.881 1.325 3.620 1.00 0.00 C ATOM 1456 CG2 VAL A 90 89.819 3.768 3.698 1.00 0.00 C ATOM 0 H VAL A 90 88.953 4.393 5.716 1.00 0.00 H new ATOM 0 HA VAL A 90 89.479 1.451 6.076 1.00 0.00 H new ATOM 0 HB VAL A 90 91.444 2.584 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 90 90.244 1.386 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 90 90.266 0.419 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 90 88.791 1.298 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 90 90.198 3.799 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 90 88.730 3.730 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 90 90.142 4.661 4.233 1.00 0.00 H new ATOM 1466 N TYR A 91 91.439 1.733 7.486 1.00 0.00 N ATOM 1467 CA TYR A 91 92.574 1.924 8.429 1.00 0.00 C ATOM 1468 C TYR A 91 93.846 1.431 7.744 1.00 0.00 C ATOM 1469 O TYR A 91 94.051 0.246 7.565 1.00 0.00 O ATOM 1470 CB TYR A 91 92.244 1.082 9.672 1.00 0.00 C ATOM 1471 CG TYR A 91 90.984 1.622 10.306 1.00 0.00 C ATOM 1472 CD1 TYR A 91 91.013 2.824 11.030 1.00 0.00 C ATOM 1473 CD2 TYR A 91 89.778 0.935 10.141 1.00 0.00 C ATOM 1474 CE1 TYR A 91 89.834 3.331 11.591 1.00 0.00 C ATOM 1475 CE2 TYR A 91 88.598 1.446 10.695 1.00 0.00 C ATOM 1476 CZ TYR A 91 88.627 2.645 11.420 1.00 0.00 C ATOM 1477 OH TYR A 91 87.463 3.155 11.962 1.00 0.00 O ATOM 0 H TYR A 91 91.085 0.779 7.418 1.00 0.00 H new ATOM 0 HA TYR A 91 92.724 2.965 8.714 1.00 0.00 H new ATOM 0 HB2 TYR A 91 92.109 0.037 9.394 1.00 0.00 H new ATOM 0 HB3 TYR A 91 93.070 1.119 10.383 1.00 0.00 H new ATOM 0 HD1 TYR A 91 91.944 3.358 11.154 1.00 0.00 H new ATOM 0 HD2 TYR A 91 89.756 0.009 9.586 1.00 0.00 H new ATOM 0 HE1 TYR A 91 89.857 4.251 12.156 1.00 0.00 H new ATOM 0 HE2 TYR A 91 87.666 0.916 10.564 1.00 0.00 H new ATOM 0 HH TYR A 91 87.052 3.778 11.327 1.00 0.00 H new ATOM 1487 N GLN A 92 94.695 2.331 7.338 1.00 0.00 N ATOM 1488 CA GLN A 92 95.946 1.905 6.649 1.00 0.00 C ATOM 1489 C GLN A 92 97.109 1.891 7.638 1.00 0.00 C ATOM 1490 O GLN A 92 97.147 2.667 8.573 1.00 0.00 O ATOM 1491 CB GLN A 92 96.188 2.949 5.560 1.00 0.00 C ATOM 1492 CG GLN A 92 95.002 2.977 4.598 1.00 0.00 C ATOM 1493 CD GLN A 92 95.404 3.727 3.324 1.00 0.00 C ATOM 1494 OE1 GLN A 92 96.555 3.703 2.928 1.00 0.00 O ATOM 1495 NE2 GLN A 92 94.503 4.398 2.661 1.00 0.00 N ATOM 0 H GLN A 92 94.579 3.338 7.452 1.00 0.00 H new ATOM 0 HA GLN A 92 95.862 0.901 6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.326 3.932 6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 92 97.104 2.716 5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.693 1.961 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.149 3.466 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 92 93.538 4.420 2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 92 94.763 4.901 1.813 1.00 0.00 H new ATOM 1504 N GLU A 93 98.073 1.039 7.429 1.00 0.00 N ATOM 1505 CA GLU A 93 99.242 1.016 8.353 1.00 0.00 C ATOM 1506 C GLU A 93 100.404 1.803 7.749 1.00 0.00 C ATOM 1507 O GLU A 93 101.188 2.404 8.455 1.00 0.00 O ATOM 1508 CB GLU A 93 99.628 -0.448 8.505 1.00 0.00 C ATOM 1509 CG GLU A 93 100.742 -0.568 9.542 1.00 0.00 C ATOM 1510 CD GLU A 93 100.813 -2.014 10.021 1.00 0.00 C ATOM 1511 OE1 GLU A 93 101.247 -2.850 9.248 1.00 0.00 O ATOM 1512 OE2 GLU A 93 100.421 -2.263 11.148 1.00 0.00 O ATOM 0 H GLU A 93 98.103 0.363 6.666 1.00 0.00 H new ATOM 0 HA GLU A 93 99.001 1.469 9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 93 98.763 -1.035 8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 93 99.961 -0.850 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 93 101.696 -0.267 9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 93 100.549 0.099 10.382 1.00 0.00 H new ATOM 1519 N GLN A 94 100.530 1.794 6.450 1.00 0.00 N ATOM 1520 CA GLN A 94 101.654 2.533 5.806 1.00 0.00 C ATOM 1521 C GLN A 94 101.126 3.745 5.036 1.00 0.00 C ATOM 1522 O GLN A 94 100.263 3.628 4.188 1.00 0.00 O ATOM 1523 CB GLN A 94 102.288 1.519 4.848 1.00 0.00 C ATOM 1524 CG GLN A 94 102.996 0.430 5.665 1.00 0.00 C ATOM 1525 CD GLN A 94 103.678 -0.579 4.733 1.00 0.00 C ATOM 1526 OE1 GLN A 94 103.224 -0.812 3.633 1.00 0.00 O ATOM 1527 NE2 GLN A 94 104.759 -1.198 5.137 1.00 0.00 N ATOM 0 H GLN A 94 99.905 1.308 5.807 1.00 0.00 H new ATOM 0 HA GLN A 94 102.370 2.915 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 94 101.523 1.074 4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 94 103.000 2.018 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 94 103.736 0.884 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 94 102.275 -0.083 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 94 105.143 -1.003 6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 94 105.217 -1.875 4.527 1.00 0.00 H new ATOM 1536 N THR A 95 101.641 4.910 5.325 1.00 0.00 N ATOM 1537 CA THR A 95 101.176 6.134 4.610 1.00 0.00 C ATOM 1538 C THR A 95 102.252 6.601 3.621 1.00 0.00 C ATOM 1539 O THR A 95 102.150 7.651 3.018 1.00 0.00 O ATOM 1540 CB THR A 95 100.939 7.160 5.717 1.00 0.00 C ATOM 1541 OG1 THR A 95 102.156 7.423 6.399 1.00 0.00 O ATOM 1542 CG2 THR A 95 99.925 6.590 6.704 1.00 0.00 C ATOM 0 H THR A 95 102.365 5.067 6.026 1.00 0.00 H new ATOM 0 HA THR A 95 100.273 5.970 4.022 1.00 0.00 H new ATOM 0 HB THR A 95 100.564 8.087 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 95 102.013 7.345 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 95 99.746 7.313 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 95 98.989 6.383 6.185 1.00 0.00 H new ATOM 0 HG23 THR A 95 100.314 5.667 7.133 1.00 0.00 H new ATOM 1550 N GLY A 96 103.281 5.809 3.452 1.00 0.00 N ATOM 1551 CA GLY A 96 104.384 6.165 2.509 1.00 0.00 C ATOM 1552 C GLY A 96 105.043 4.871 2.025 1.00 0.00 C ATOM 1553 O GLY A 96 104.431 3.820 2.021 1.00 0.00 O ATOM 0 H GLY A 96 103.405 4.919 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 96 103.992 6.730 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 96 105.117 6.801 3.005 1.00 0.00 H new ATOM 1557 N GLY A 97 106.284 4.927 1.628 1.00 0.00 N ATOM 1558 CA GLY A 97 106.971 3.686 1.167 1.00 0.00 C ATOM 1559 C GLY A 97 107.388 2.866 2.396 1.00 0.00 C ATOM 1560 O GLY A 97 106.696 2.843 3.397 1.00 0.00 O ATOM 0 H GLY A 97 106.851 5.774 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 97 106.307 3.101 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 97 107.846 3.939 0.568 1.00 0.00 H new ATOM 1564 N HIS A 98 108.509 2.194 2.330 1.00 0.00 N ATOM 1565 CA HIS A 98 108.970 1.366 3.493 1.00 0.00 C ATOM 1566 C HIS A 98 109.148 2.225 4.756 1.00 0.00 C ATOM 1567 O HIS A 98 109.269 1.713 5.851 1.00 0.00 O ATOM 1568 CB HIS A 98 110.316 0.793 3.045 1.00 0.00 C ATOM 1569 CG HIS A 98 111.305 1.910 2.843 1.00 0.00 C ATOM 1570 ND1 HIS A 98 111.478 2.817 1.826 1.00 0.00 N flip ATOM 1571 CD2 HIS A 98 112.300 2.182 3.768 1.00 0.00 C flip ATOM 1572 CE1 HIS A 98 112.566 3.637 2.112 1.00 0.00 C flip ATOM 1573 NE2 HIS A 98 113.024 3.212 3.293 1.00 0.00 N flip ATOM 0 H HIS A 98 109.129 2.181 1.520 1.00 0.00 H new ATOM 0 HA HIS A 98 108.247 0.593 3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 98 110.691 0.094 3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 98 110.193 0.233 2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 98 112.465 1.662 4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 98 112.956 4.443 1.509 1.00 0.00 H new ATOM 0 HE2 HIS A 98 113.825 3.619 3.776 1.00 0.00 H new ATOM 1581 N SER A 99 109.155 3.521 4.612 1.00 0.00 N ATOM 1582 CA SER A 99 109.322 4.416 5.801 1.00 0.00 C ATOM 1583 C SER A 99 108.192 4.195 6.818 1.00 0.00 C ATOM 1584 O SER A 99 107.092 3.819 6.466 1.00 0.00 O ATOM 1585 CB SER A 99 109.233 5.827 5.230 1.00 0.00 C ATOM 1586 OG SER A 99 107.919 6.045 4.734 1.00 0.00 O ATOM 0 H SER A 99 109.052 4.005 3.720 1.00 0.00 H new ATOM 0 HA SER A 99 110.259 4.226 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 99 109.471 6.560 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 99 109.963 5.956 4.431 1.00 0.00 H new ATOM 0 HG SER A 99 107.854 6.951 4.367 1.00 0.00 H new ATOM 1592 N THR A 100 108.462 4.417 8.081 1.00 0.00 N ATOM 1593 CA THR A 100 107.407 4.211 9.123 1.00 0.00 C ATOM 1594 C THR A 100 106.673 5.522 9.451 1.00 0.00 C ATOM 1595 O THR A 100 105.791 5.552 10.287 1.00 0.00 O ATOM 1596 CB THR A 100 108.162 3.709 10.355 1.00 0.00 C ATOM 1597 OG1 THR A 100 109.051 4.722 10.812 1.00 0.00 O ATOM 1598 CG2 THR A 100 108.950 2.449 9.997 1.00 0.00 C ATOM 0 H THR A 100 109.365 4.731 8.435 1.00 0.00 H new ATOM 0 HA THR A 100 106.644 3.511 8.782 1.00 0.00 H new ATOM 0 HB THR A 100 107.450 3.472 11.146 1.00 0.00 H new ATOM 0 HG1 THR A 100 109.534 4.401 11.602 1.00 0.00 H new ATOM 0 HG21 THR A 100 109.487 2.094 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.263 1.675 9.654 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.663 2.678 9.205 1.00 0.00 H new ATOM 1606 N VAL A 101 107.029 6.605 8.809 1.00 0.00 N ATOM 1607 CA VAL A 101 106.352 7.911 9.094 1.00 0.00 C ATOM 1608 C VAL A 101 104.826 7.742 9.106 1.00 0.00 C ATOM 1609 O VAL A 101 104.288 7.490 10.170 1.00 0.00 O ATOM 1610 CB VAL A 101 106.786 8.834 7.953 1.00 0.00 C ATOM 1611 CG1 VAL A 101 106.298 8.262 6.624 1.00 0.00 C ATOM 1612 CG2 VAL A 101 106.186 10.228 8.150 1.00 0.00 C ATOM 1613 OXT VAL A 101 104.223 7.878 8.054 1.00 0.00 O ATOM 0 H VAL A 101 107.760 6.644 8.099 1.00 0.00 H new ATOM 0 HA VAL A 101 106.624 8.310 10.071 1.00 0.00 H new ATOM 0 HB VAL A 101 107.874 8.907 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 101 106.606 8.918 5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 101 106.728 7.272 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 101 105.211 8.187 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 101 106.500 10.878 7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 101 105.098 10.158 8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 101 106.532 10.642 9.097 1.00 0.00 H new TER 1623 VAL A 101