USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1184 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 108 THR OG1 : rot -111:sc= 0.857 USER MOD Set 1.2: A 127 SER OG : rot 92:sc= 0.957 USER MOD Set 2.1: A 80 THR OG1 : rot 170:sc=-0.00817 USER MOD Set 2.2: A 81 THR OG1 : rot 153:sc= 0.0314 USER MOD Set 2.3: A 109 HIS : no HE2:sc= -1.66! C(o=-1.6!,f=-5!) USER MOD Set 3.1: A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.016) USER MOD Set 3.2: A 78 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 4 SER OG : rot -103:sc= 0.294 USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= 0.035 (180deg=-0.661) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -1.17 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.64) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 63 TYR OH : rot 13:sc= 0.184 USER MOD Single : A 64 TYR OH : rot 11:sc= 0.00373 USER MOD Single : A 65 MET CE :methyl 177:sc= -0.196 (180deg=-0.207) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0.205 K(o=0.21,f=-1.1) USER MOD Single : A 98 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0086) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.955 F(o=-1.5!,f=-0.96) USER MOD Single : A 121 THR OG1 : rot 77:sc= 0.575 USER MOD Single : A 123 MET CE :methyl -115:sc= -0.707 (180deg=-2.71) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 131 SER OG : rot 145:sc= 0.178 USER MOD Single : A 134 GLN : amide:sc= -0.455 K(o=-0.45,f=-3.1!) USER MOD Single : A 135 MET CE :methyl -167:sc= -0.481 (180deg=-0.743) USER MOD Single : A 136 GLN : amide:sc= 0.115 K(o=0.11,f=-0.44) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 159:sc= -0.585 (180deg=-2.26!) USER MOD Single : A 141 MET CE :methyl -167:sc= -0.0215 (180deg=-0.258) USER MOD Single : A 143 MET CE :methyl -166:sc= -0.0155 (180deg=-0.244) USER MOD Single : A 147 MET CE :methyl -165:sc= -0.557 (180deg=-1.01) USER MOD Single : A 153 GLN :FLIP amide:sc= -2.32! C(o=-5.4!,f=-2.3!) USER MOD Single : A 159 SER OG : rot -51:sc= 0.06 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -10.068 0.736 -9.447 1.00 54.21 N ATOM 18 CA VAL A 2 -9.046 -0.278 -9.779 1.00 13.23 C ATOM 19 C VAL A 2 -9.192 -0.711 -11.265 1.00 25.44 C ATOM 20 O VAL A 2 -9.727 -1.781 -11.579 1.00 61.00 O ATOM 21 CB VAL A 2 -9.077 -1.513 -8.803 1.00 22.34 C ATOM 22 CG1 VAL A 2 -7.882 -2.454 -9.058 1.00 53.21 C ATOM 23 CG2 VAL A 2 -9.112 -1.069 -7.323 1.00 4.03 C ATOM 0 HA VAL A 2 -8.066 0.180 -9.644 1.00 13.23 H new ATOM 0 HB VAL A 2 -9.996 -2.062 -9.008 1.00 22.34 H new ATOM 0 HG11 VAL A 2 -7.930 -3.298 -8.369 1.00 53.21 H new ATOM 0 HG12 VAL A 2 -7.920 -2.820 -10.084 1.00 53.21 H new ATOM 0 HG13 VAL A 2 -6.951 -1.910 -8.901 1.00 53.21 H new ATOM 0 HG21 VAL A 2 -9.133 -1.949 -6.680 1.00 4.03 H new ATOM 0 HG22 VAL A 2 -8.224 -0.477 -7.100 1.00 4.03 H new ATOM 0 HG23 VAL A 2 -10.004 -0.468 -7.144 1.00 4.03 H new ATOM 33 N VAL A 3 -8.776 0.188 -12.172 1.00 32.14 N ATOM 34 CA VAL A 3 -9.041 0.052 -13.623 1.00 51.24 C ATOM 35 C VAL A 3 -8.197 -1.071 -14.289 1.00 22.54 C ATOM 36 O VAL A 3 -8.575 -1.589 -15.341 1.00 21.11 O ATOM 37 CB VAL A 3 -8.845 1.433 -14.362 1.00 40.23 C ATOM 38 CG1 VAL A 3 -9.897 2.468 -13.880 1.00 41.44 C ATOM 39 CG2 VAL A 3 -7.417 1.991 -14.162 1.00 2.44 C ATOM 0 H VAL A 3 -8.249 1.026 -11.927 1.00 32.14 H new ATOM 0 HA VAL A 3 -10.084 -0.249 -13.725 1.00 51.24 H new ATOM 0 HB VAL A 3 -8.988 1.254 -15.428 1.00 40.23 H new ATOM 0 HG11 VAL A 3 -9.744 3.413 -14.402 1.00 41.44 H new ATOM 0 HG12 VAL A 3 -10.899 2.094 -14.092 1.00 41.44 H new ATOM 0 HG13 VAL A 3 -9.788 2.625 -12.807 1.00 41.44 H new ATOM 0 HG21 VAL A 3 -7.321 2.942 -14.686 1.00 2.44 H new ATOM 0 HG22 VAL A 3 -7.231 2.142 -13.099 1.00 2.44 H new ATOM 0 HG23 VAL A 3 -6.691 1.283 -14.561 1.00 2.44 H new ATOM 49 N SER A 4 -7.068 -1.451 -13.657 1.00 12.12 N ATOM 50 CA SER A 4 -6.207 -2.574 -14.116 1.00 13.45 C ATOM 51 C SER A 4 -5.270 -3.027 -12.976 1.00 54.23 C ATOM 52 O SER A 4 -4.879 -2.218 -12.146 1.00 21.21 O ATOM 53 CB SER A 4 -5.360 -2.152 -15.346 1.00 1.35 C ATOM 54 OG SER A 4 -4.578 -3.229 -15.846 1.00 33.04 O ATOM 0 H SER A 4 -6.723 -0.992 -12.814 1.00 12.12 H new ATOM 0 HA SER A 4 -6.855 -3.402 -14.403 1.00 13.45 H new ATOM 0 HB2 SER A 4 -6.020 -1.786 -16.133 1.00 1.35 H new ATOM 0 HB3 SER A 4 -4.705 -1.326 -15.070 1.00 1.35 H new ATOM 0 HG SER A 4 -3.645 -3.111 -15.570 1.00 33.04 H new ATOM 60 N VAL A 5 -4.937 -4.334 -12.922 1.00 53.32 N ATOM 61 CA VAL A 5 -3.896 -4.877 -12.002 1.00 32.31 C ATOM 62 C VAL A 5 -2.954 -5.819 -12.778 1.00 20.11 C ATOM 63 O VAL A 5 -3.349 -6.913 -13.205 1.00 24.43 O ATOM 64 CB VAL A 5 -4.499 -5.641 -10.759 1.00 24.41 C ATOM 65 CG1 VAL A 5 -3.392 -6.278 -9.882 1.00 13.12 C ATOM 66 CG2 VAL A 5 -5.371 -4.711 -9.902 1.00 24.13 C ATOM 0 H VAL A 5 -5.375 -5.045 -13.508 1.00 53.32 H new ATOM 0 HA VAL A 5 -3.346 -4.020 -11.612 1.00 32.31 H new ATOM 0 HB VAL A 5 -5.123 -6.441 -11.156 1.00 24.41 H new ATOM 0 HG11 VAL A 5 -3.849 -6.794 -9.037 1.00 13.12 H new ATOM 0 HG12 VAL A 5 -2.821 -6.991 -10.477 1.00 13.12 H new ATOM 0 HG13 VAL A 5 -2.726 -5.498 -9.513 1.00 13.12 H new ATOM 0 HG21 VAL A 5 -5.771 -5.267 -9.054 1.00 24.13 H new ATOM 0 HG22 VAL A 5 -4.768 -3.879 -9.538 1.00 24.13 H new ATOM 0 HG23 VAL A 5 -6.194 -4.326 -10.505 1.00 24.13 H new ATOM 76 N ASP A 6 -1.725 -5.359 -12.985 1.00 41.34 N ATOM 77 CA ASP A 6 -0.655 -6.120 -13.644 1.00 73.34 C ATOM 78 C ASP A 6 0.323 -6.706 -12.603 1.00 52.52 C ATOM 79 O ASP A 6 0.671 -6.042 -11.629 1.00 2.31 O ATOM 80 CB ASP A 6 0.086 -5.170 -14.615 1.00 14.02 C ATOM 81 CG ASP A 6 -0.795 -4.733 -15.797 1.00 21.54 C ATOM 82 OD1 ASP A 6 -1.679 -3.866 -15.609 1.00 63.33 O ATOM 83 OD2 ASP A 6 -0.614 -5.263 -16.914 1.00 74.21 O ATOM 0 H ASP A 6 -1.432 -4.426 -12.695 1.00 41.34 H new ATOM 0 HA ASP A 6 -1.082 -6.957 -14.195 1.00 73.34 H new ATOM 0 HB2 ASP A 6 0.421 -4.288 -14.070 1.00 14.02 H new ATOM 0 HB3 ASP A 6 0.978 -5.668 -14.995 1.00 14.02 H new ATOM 88 N LYS A 7 0.756 -7.955 -12.812 1.00 24.34 N ATOM 89 CA LYS A 7 1.814 -8.591 -11.998 1.00 62.13 C ATOM 90 C LYS A 7 2.810 -9.282 -12.936 1.00 62.44 C ATOM 91 O LYS A 7 2.400 -10.060 -13.806 1.00 60.42 O ATOM 92 CB LYS A 7 1.217 -9.632 -11.010 1.00 41.31 C ATOM 93 CG LYS A 7 2.252 -10.249 -10.024 1.00 72.11 C ATOM 94 CD LYS A 7 1.665 -11.382 -9.145 1.00 60.13 C ATOM 95 CE LYS A 7 1.318 -12.653 -9.950 1.00 63.34 C ATOM 96 NZ LYS A 7 0.592 -13.658 -9.131 1.00 23.22 N ATOM 0 H LYS A 7 0.387 -8.558 -13.548 1.00 24.34 H new ATOM 0 HA LYS A 7 2.315 -7.822 -11.411 1.00 62.13 H new ATOM 0 HB2 LYS A 7 0.424 -9.155 -10.434 1.00 41.31 H new ATOM 0 HB3 LYS A 7 0.755 -10.436 -11.583 1.00 41.31 H new ATOM 0 HG2 LYS A 7 3.096 -10.640 -10.592 1.00 72.11 H new ATOM 0 HG3 LYS A 7 2.641 -9.462 -9.378 1.00 72.11 H new ATOM 0 HD2 LYS A 7 2.382 -11.637 -8.365 1.00 60.13 H new ATOM 0 HD3 LYS A 7 0.767 -11.018 -8.646 1.00 60.13 H new ATOM 0 HE2 LYS A 7 0.708 -12.380 -10.811 1.00 63.34 H new ATOM 0 HE3 LYS A 7 2.235 -13.097 -10.337 1.00 63.34 H new ATOM 0 HZ1 LYS A 7 1.116 -14.556 -9.139 1.00 23.22 H new ATOM 0 HZ2 LYS A 7 0.509 -13.314 -8.153 1.00 23.22 H new ATOM 0 HZ3 LYS A 7 -0.358 -13.808 -9.527 1.00 23.22 H new ATOM 110 N ASP A 8 4.107 -8.995 -12.768 1.00 3.41 N ATOM 111 CA ASP A 8 5.169 -9.651 -13.556 1.00 51.02 C ATOM 112 C ASP A 8 6.103 -10.444 -12.610 1.00 61.10 C ATOM 113 O ASP A 8 6.893 -9.861 -11.860 1.00 23.33 O ATOM 114 CB ASP A 8 5.956 -8.619 -14.405 1.00 1.41 C ATOM 115 CG ASP A 8 6.721 -9.293 -15.562 1.00 31.31 C ATOM 116 OD1 ASP A 8 7.808 -9.848 -15.335 1.00 34.01 O ATOM 117 OD2 ASP A 8 6.206 -9.318 -16.698 1.00 11.42 O ATOM 0 H ASP A 8 4.451 -8.312 -12.093 1.00 3.41 H new ATOM 0 HA ASP A 8 4.711 -10.350 -14.255 1.00 51.02 H new ATOM 0 HB2 ASP A 8 5.266 -7.878 -14.809 1.00 1.41 H new ATOM 0 HB3 ASP A 8 6.660 -8.084 -13.767 1.00 1.41 H new ATOM 122 N VAL A 9 5.990 -11.779 -12.669 1.00 34.33 N ATOM 123 CA VAL A 9 6.712 -12.713 -11.773 1.00 62.01 C ATOM 124 C VAL A 9 8.215 -12.838 -12.157 1.00 34.43 C ATOM 125 O VAL A 9 9.056 -13.175 -11.320 1.00 3.13 O ATOM 126 CB VAL A 9 6.000 -14.125 -11.779 1.00 70.12 C ATOM 127 CG1 VAL A 9 6.609 -15.103 -10.747 1.00 52.14 C ATOM 128 CG2 VAL A 9 4.473 -13.980 -11.541 1.00 4.13 C ATOM 0 H VAL A 9 5.390 -12.252 -13.345 1.00 34.33 H new ATOM 0 HA VAL A 9 6.678 -12.307 -10.762 1.00 62.01 H new ATOM 0 HB VAL A 9 6.168 -14.550 -12.769 1.00 70.12 H new ATOM 0 HG11 VAL A 9 6.082 -16.056 -10.794 1.00 52.14 H new ATOM 0 HG12 VAL A 9 7.664 -15.260 -10.973 1.00 52.14 H new ATOM 0 HG13 VAL A 9 6.511 -14.683 -9.746 1.00 52.14 H new ATOM 0 HG21 VAL A 9 4.008 -14.966 -11.550 1.00 4.13 H new ATOM 0 HG22 VAL A 9 4.299 -13.505 -10.575 1.00 4.13 H new ATOM 0 HG23 VAL A 9 4.038 -13.367 -12.330 1.00 4.13 H new ATOM 138 N GLU A 10 8.543 -12.532 -13.424 1.00 72.41 N ATOM 139 CA GLU A 10 9.942 -12.515 -13.918 1.00 2.50 C ATOM 140 C GLU A 10 10.678 -11.232 -13.462 1.00 44.12 C ATOM 141 O GLU A 10 11.878 -11.255 -13.185 1.00 64.20 O ATOM 142 CB GLU A 10 9.956 -12.640 -15.464 1.00 45.15 C ATOM 143 CG GLU A 10 9.229 -13.887 -16.013 1.00 2.54 C ATOM 144 CD GLU A 10 9.851 -15.221 -15.552 1.00 43.04 C ATOM 145 OE1 GLU A 10 10.858 -15.651 -16.151 1.00 22.44 O ATOM 146 OE2 GLU A 10 9.344 -15.835 -14.588 1.00 52.01 O ATOM 0 H GLU A 10 7.854 -12.290 -14.136 1.00 72.41 H new ATOM 0 HA GLU A 10 10.472 -13.367 -13.491 1.00 2.50 H new ATOM 0 HB2 GLU A 10 9.496 -11.749 -15.892 1.00 45.15 H new ATOM 0 HB3 GLU A 10 10.991 -12.659 -15.805 1.00 45.15 H new ATOM 0 HG2 GLU A 10 8.185 -13.855 -15.700 1.00 2.54 H new ATOM 0 HG3 GLU A 10 9.236 -13.850 -17.102 1.00 2.54 H new ATOM 153 N ALA A 11 9.932 -10.118 -13.379 1.00 64.41 N ATOM 154 CA ALA A 11 10.450 -8.806 -12.923 1.00 44.01 C ATOM 155 C ALA A 11 10.264 -8.611 -11.400 1.00 42.44 C ATOM 156 O ALA A 11 10.693 -7.589 -10.856 1.00 22.31 O ATOM 157 CB ALA A 11 9.748 -7.673 -13.691 1.00 71.15 C ATOM 0 H ALA A 11 8.943 -10.097 -13.627 1.00 64.41 H new ATOM 0 HA ALA A 11 11.520 -8.780 -13.129 1.00 44.01 H new ATOM 0 HB1 ALA A 11 10.132 -6.711 -13.352 1.00 71.15 H new ATOM 0 HB2 ALA A 11 9.939 -7.784 -14.758 1.00 71.15 H new ATOM 0 HB3 ALA A 11 8.675 -7.720 -13.508 1.00 71.15 H new ATOM 163 N LEU A 12 9.604 -9.593 -10.737 1.00 21.12 N ATOM 164 CA LEU A 12 9.308 -9.581 -9.277 1.00 60.54 C ATOM 165 C LEU A 12 8.517 -8.317 -8.840 1.00 51.02 C ATOM 166 O LEU A 12 8.618 -7.875 -7.701 1.00 72.51 O ATOM 167 CB LEU A 12 10.621 -9.732 -8.444 1.00 24.12 C ATOM 168 CG LEU A 12 11.528 -10.953 -8.796 1.00 53.45 C ATOM 169 CD1 LEU A 12 12.790 -10.980 -7.908 1.00 34.32 C ATOM 170 CD2 LEU A 12 10.747 -12.280 -8.700 1.00 61.53 C ATOM 0 H LEU A 12 9.256 -10.429 -11.206 1.00 21.12 H new ATOM 0 HA LEU A 12 8.666 -10.439 -9.077 1.00 60.54 H new ATOM 0 HB2 LEU A 12 11.210 -8.823 -8.565 1.00 24.12 H new ATOM 0 HB3 LEU A 12 10.351 -9.799 -7.390 1.00 24.12 H new ATOM 0 HG LEU A 12 11.851 -10.838 -9.831 1.00 53.45 H new ATOM 0 HD11 LEU A 12 13.404 -11.840 -8.174 1.00 34.32 H new ATOM 0 HD12 LEU A 12 13.362 -10.065 -8.061 1.00 34.32 H new ATOM 0 HD13 LEU A 12 12.497 -11.054 -6.861 1.00 34.32 H new ATOM 0 HD21 LEU A 12 11.407 -13.110 -8.951 1.00 61.53 H new ATOM 0 HD22 LEU A 12 10.372 -12.409 -7.685 1.00 61.53 H new ATOM 0 HD23 LEU A 12 9.909 -12.260 -9.396 1.00 61.53 H new ATOM 182 N SER A 13 7.705 -7.759 -9.748 1.00 43.01 N ATOM 183 CA SER A 13 6.953 -6.504 -9.508 1.00 53.43 C ATOM 184 C SER A 13 5.438 -6.757 -9.519 1.00 43.22 C ATOM 185 O SER A 13 4.953 -7.699 -10.160 1.00 2.12 O ATOM 186 CB SER A 13 7.324 -5.445 -10.571 1.00 72.52 C ATOM 187 OG SER A 13 7.093 -5.919 -11.891 1.00 1.43 O ATOM 0 H SER A 13 7.546 -8.159 -10.672 1.00 43.01 H new ATOM 0 HA SER A 13 7.228 -6.129 -8.522 1.00 53.43 H new ATOM 0 HB2 SER A 13 6.740 -4.540 -10.402 1.00 72.52 H new ATOM 0 HB3 SER A 13 8.374 -5.172 -10.461 1.00 72.52 H new ATOM 0 HG SER A 13 7.337 -5.223 -12.536 1.00 1.43 H new ATOM 193 N PHE A 14 4.697 -5.901 -8.800 1.00 2.55 N ATOM 194 CA PHE A 14 3.229 -5.973 -8.725 1.00 21.40 C ATOM 195 C PHE A 14 2.608 -4.549 -8.813 1.00 41.23 C ATOM 196 O PHE A 14 2.588 -3.809 -7.841 1.00 2.30 O ATOM 197 CB PHE A 14 2.849 -6.692 -7.403 1.00 41.42 C ATOM 198 CG PHE A 14 1.358 -6.798 -7.148 1.00 33.21 C ATOM 199 CD1 PHE A 14 0.535 -7.440 -8.068 1.00 71.45 C ATOM 200 CD2 PHE A 14 0.778 -6.247 -6.005 1.00 72.10 C ATOM 201 CE1 PHE A 14 -0.818 -7.531 -7.851 1.00 42.55 C ATOM 202 CE2 PHE A 14 -0.575 -6.341 -5.792 1.00 62.33 C ATOM 203 CZ PHE A 14 -1.373 -6.977 -6.719 1.00 74.45 C ATOM 0 H PHE A 14 5.098 -5.139 -8.254 1.00 2.55 H new ATOM 0 HA PHE A 14 2.829 -6.539 -9.566 1.00 21.40 H new ATOM 0 HB2 PHE A 14 3.274 -7.695 -7.415 1.00 41.42 H new ATOM 0 HB3 PHE A 14 3.310 -6.161 -6.570 1.00 41.42 H new ATOM 0 HD1 PHE A 14 0.964 -7.871 -8.961 1.00 71.45 H new ATOM 0 HD2 PHE A 14 1.399 -5.742 -5.281 1.00 72.10 H new ATOM 0 HE1 PHE A 14 -1.447 -8.037 -8.568 1.00 42.55 H new ATOM 0 HE2 PHE A 14 -1.013 -5.918 -4.900 1.00 62.33 H new ATOM 0 HZ PHE A 14 -2.439 -7.041 -6.557 1.00 74.45 H new ATOM 213 N SER A 15 2.058 -4.208 -9.985 1.00 34.14 N ATOM 214 CA SER A 15 1.545 -2.849 -10.295 1.00 74.41 C ATOM 215 C SER A 15 -0.006 -2.804 -10.329 1.00 71.42 C ATOM 216 O SER A 15 -0.628 -3.422 -11.191 1.00 63.43 O ATOM 217 CB SER A 15 2.127 -2.394 -11.657 1.00 22.02 C ATOM 218 OG SER A 15 1.842 -3.323 -12.687 1.00 51.15 O ATOM 0 H SER A 15 1.951 -4.866 -10.757 1.00 34.14 H new ATOM 0 HA SER A 15 1.863 -2.171 -9.503 1.00 74.41 H new ATOM 0 HB2 SER A 15 1.715 -1.420 -11.921 1.00 22.02 H new ATOM 0 HB3 SER A 15 3.206 -2.270 -11.568 1.00 22.02 H new ATOM 0 HG SER A 15 2.223 -3.002 -13.531 1.00 51.15 H new ATOM 224 N ILE A 16 -0.625 -2.064 -9.386 1.00 31.41 N ATOM 225 CA ILE A 16 -2.089 -1.813 -9.388 1.00 22.35 C ATOM 226 C ILE A 16 -2.375 -0.380 -9.879 1.00 1.41 C ATOM 227 O ILE A 16 -1.909 0.590 -9.286 1.00 22.22 O ATOM 228 CB ILE A 16 -2.731 -2.001 -7.964 1.00 24.24 C ATOM 229 CG1 ILE A 16 -2.482 -3.445 -7.438 1.00 61.22 C ATOM 230 CG2 ILE A 16 -4.255 -1.663 -7.988 1.00 2.30 C ATOM 231 CD1 ILE A 16 -3.050 -3.727 -6.057 1.00 10.33 C ATOM 0 H ILE A 16 -0.134 -1.626 -8.607 1.00 31.41 H new ATOM 0 HA ILE A 16 -2.537 -2.545 -10.060 1.00 22.35 H new ATOM 0 HB ILE A 16 -2.250 -1.304 -7.278 1.00 24.24 H new ATOM 0 HG12 ILE A 16 -2.914 -4.154 -8.145 1.00 61.22 H new ATOM 0 HG13 ILE A 16 -1.408 -3.629 -7.418 1.00 61.22 H new ATOM 0 HG21 ILE A 16 -4.674 -1.801 -6.991 1.00 2.30 H new ATOM 0 HG22 ILE A 16 -4.393 -0.628 -8.299 1.00 2.30 H new ATOM 0 HG23 ILE A 16 -4.763 -2.324 -8.690 1.00 2.30 H new ATOM 0 HD11 ILE A 16 -2.828 -4.756 -5.775 1.00 10.33 H new ATOM 0 HD12 ILE A 16 -2.601 -3.047 -5.333 1.00 10.33 H new ATOM 0 HD13 ILE A 16 -4.130 -3.580 -6.071 1.00 10.33 H new ATOM 243 N VAL A 17 -3.162 -0.277 -10.949 1.00 74.32 N ATOM 244 CA VAL A 17 -3.556 0.996 -11.576 1.00 74.53 C ATOM 245 C VAL A 17 -5.039 1.319 -11.238 1.00 51.21 C ATOM 246 O VAL A 17 -5.928 0.484 -11.436 1.00 1.54 O ATOM 247 CB VAL A 17 -3.356 0.909 -13.137 1.00 2.12 C ATOM 248 CG1 VAL A 17 -3.712 2.242 -13.834 1.00 3.20 C ATOM 249 CG2 VAL A 17 -1.914 0.464 -13.493 1.00 52.14 C ATOM 0 H VAL A 17 -3.556 -1.092 -11.419 1.00 74.32 H new ATOM 0 HA VAL A 17 -2.927 1.796 -11.186 1.00 74.53 H new ATOM 0 HB VAL A 17 -4.045 0.151 -13.510 1.00 2.12 H new ATOM 0 HG11 VAL A 17 -3.561 2.142 -14.909 1.00 3.20 H new ATOM 0 HG12 VAL A 17 -4.755 2.489 -13.635 1.00 3.20 H new ATOM 0 HG13 VAL A 17 -3.071 3.036 -13.450 1.00 3.20 H new ATOM 0 HG21 VAL A 17 -1.806 0.413 -14.576 1.00 52.14 H new ATOM 0 HG22 VAL A 17 -1.201 1.184 -13.091 1.00 52.14 H new ATOM 0 HG23 VAL A 17 -1.720 -0.518 -13.062 1.00 52.14 H new ATOM 259 N ALA A 18 -5.291 2.536 -10.728 1.00 75.12 N ATOM 260 CA ALA A 18 -6.644 3.015 -10.345 1.00 4.32 C ATOM 261 C ALA A 18 -6.787 4.524 -10.630 1.00 53.24 C ATOM 262 O ALA A 18 -5.787 5.227 -10.760 1.00 43.42 O ATOM 263 CB ALA A 18 -6.911 2.712 -8.861 1.00 73.54 C ATOM 0 H ALA A 18 -4.559 3.227 -10.566 1.00 75.12 H new ATOM 0 HA ALA A 18 -7.385 2.487 -10.946 1.00 4.32 H new ATOM 0 HB1 ALA A 18 -7.905 3.067 -8.590 1.00 73.54 H new ATOM 0 HB2 ALA A 18 -6.851 1.637 -8.693 1.00 73.54 H new ATOM 0 HB3 ALA A 18 -6.166 3.217 -8.247 1.00 73.54 H new ATOM 269 N GLU A 19 -8.036 5.020 -10.735 1.00 50.03 N ATOM 270 CA GLU A 19 -8.327 6.450 -11.057 1.00 30.11 C ATOM 271 C GLU A 19 -9.420 7.007 -10.114 1.00 62.45 C ATOM 272 O GLU A 19 -10.463 6.386 -9.944 1.00 1.14 O ATOM 273 CB GLU A 19 -8.784 6.583 -12.537 1.00 52.31 C ATOM 274 CG GLU A 19 -7.801 5.989 -13.564 1.00 64.50 C ATOM 275 CD GLU A 19 -8.213 6.220 -15.024 1.00 24.23 C ATOM 276 OE1 GLU A 19 -9.091 5.494 -15.531 1.00 43.23 O ATOM 277 OE2 GLU A 19 -7.661 7.144 -15.665 1.00 35.53 O ATOM 0 H GLU A 19 -8.873 4.453 -10.602 1.00 50.03 H new ATOM 0 HA GLU A 19 -7.415 7.029 -10.913 1.00 30.11 H new ATOM 0 HB2 GLU A 19 -9.750 6.092 -12.651 1.00 52.31 H new ATOM 0 HB3 GLU A 19 -8.934 7.638 -12.764 1.00 52.31 H new ATOM 0 HG2 GLU A 19 -6.815 6.424 -13.402 1.00 64.50 H new ATOM 0 HG3 GLU A 19 -7.710 4.917 -13.388 1.00 64.50 H new ATOM 284 N PHE A 20 -9.185 8.187 -9.509 1.00 22.23 N ATOM 285 CA PHE A 20 -10.109 8.782 -8.500 1.00 2.41 C ATOM 286 C PHE A 20 -10.428 10.251 -8.847 1.00 30.12 C ATOM 287 O PHE A 20 -9.541 10.983 -9.288 1.00 3.51 O ATOM 288 CB PHE A 20 -9.476 8.691 -7.083 1.00 23.53 C ATOM 289 CG PHE A 20 -9.033 7.276 -6.712 1.00 31.20 C ATOM 290 CD1 PHE A 20 -9.973 6.292 -6.405 1.00 64.24 C ATOM 291 CD2 PHE A 20 -7.684 6.921 -6.715 1.00 41.54 C ATOM 292 CE1 PHE A 20 -9.576 5.003 -6.110 1.00 34.21 C ATOM 293 CE2 PHE A 20 -7.291 5.636 -6.412 1.00 54.34 C ATOM 294 CZ PHE A 20 -8.238 4.676 -6.114 1.00 41.13 C ATOM 0 H PHE A 20 -8.360 8.757 -9.697 1.00 22.23 H new ATOM 0 HA PHE A 20 -11.042 8.219 -8.512 1.00 2.41 H new ATOM 0 HB2 PHE A 20 -8.616 9.359 -7.032 1.00 23.53 H new ATOM 0 HB3 PHE A 20 -10.198 9.044 -6.346 1.00 23.53 H new ATOM 0 HD1 PHE A 20 -11.024 6.541 -6.398 1.00 64.24 H new ATOM 0 HD2 PHE A 20 -6.938 7.663 -6.958 1.00 41.54 H new ATOM 0 HE1 PHE A 20 -10.315 4.251 -5.876 1.00 34.21 H new ATOM 0 HE2 PHE A 20 -6.242 5.379 -6.407 1.00 54.34 H new ATOM 0 HZ PHE A 20 -7.929 3.667 -5.884 1.00 41.13 H new ATOM 304 N ASP A 21 -11.687 10.679 -8.629 1.00 40.01 N ATOM 305 CA ASP A 21 -12.128 12.062 -8.932 1.00 34.12 C ATOM 306 C ASP A 21 -11.738 13.027 -7.769 1.00 42.42 C ATOM 307 O ASP A 21 -12.534 13.297 -6.858 1.00 33.32 O ATOM 308 CB ASP A 21 -13.658 12.058 -9.204 1.00 65.34 C ATOM 309 CG ASP A 21 -14.193 13.399 -9.726 1.00 71.44 C ATOM 310 OD1 ASP A 21 -13.772 13.830 -10.820 1.00 31.54 O ATOM 311 OD2 ASP A 21 -15.038 14.031 -9.053 1.00 44.52 O ATOM 0 H ASP A 21 -12.422 10.087 -8.243 1.00 40.01 H new ATOM 0 HA ASP A 21 -11.623 12.428 -9.826 1.00 34.12 H new ATOM 0 HB2 ASP A 21 -13.888 11.278 -9.930 1.00 65.34 H new ATOM 0 HB3 ASP A 21 -14.182 11.801 -8.283 1.00 65.34 H new ATOM 316 N ALA A 22 -10.483 13.508 -7.819 1.00 30.03 N ATOM 317 CA ALA A 22 -9.860 14.382 -6.790 1.00 52.34 C ATOM 318 C ALA A 22 -8.521 14.945 -7.336 1.00 23.30 C ATOM 319 O ALA A 22 -8.101 14.570 -8.431 1.00 61.11 O ATOM 320 CB ALA A 22 -9.625 13.591 -5.479 1.00 1.00 C ATOM 0 H ALA A 22 -9.852 13.299 -8.593 1.00 30.03 H new ATOM 0 HA ALA A 22 -10.531 15.211 -6.567 1.00 52.34 H new ATOM 0 HB1 ALA A 22 -9.168 14.245 -4.736 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -10.578 13.222 -5.101 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -8.963 12.748 -5.676 1.00 1.00 H new ATOM 326 N ASP A 23 -7.845 15.840 -6.582 1.00 21.10 N ATOM 327 CA ASP A 23 -6.497 16.326 -6.979 1.00 61.41 C ATOM 328 C ASP A 23 -5.407 15.390 -6.431 1.00 75.35 C ATOM 329 O ASP A 23 -5.658 14.574 -5.528 1.00 22.01 O ATOM 330 CB ASP A 23 -6.236 17.790 -6.531 1.00 15.31 C ATOM 331 CG ASP A 23 -6.226 17.992 -5.009 1.00 55.11 C ATOM 332 OD1 ASP A 23 -7.303 18.226 -4.428 1.00 71.13 O ATOM 333 OD2 ASP A 23 -5.142 17.908 -4.387 1.00 20.41 O ATOM 0 H ASP A 23 -8.199 16.236 -5.711 1.00 21.10 H new ATOM 0 HA ASP A 23 -6.462 16.318 -8.068 1.00 61.41 H new ATOM 0 HB2 ASP A 23 -5.278 18.116 -6.935 1.00 15.31 H new ATOM 0 HB3 ASP A 23 -7.001 18.433 -6.966 1.00 15.31 H new ATOM 338 N VAL A 24 -4.196 15.561 -6.972 1.00 42.25 N ATOM 339 CA VAL A 24 -3.032 14.700 -6.697 1.00 52.13 C ATOM 340 C VAL A 24 -2.662 14.682 -5.200 1.00 23.51 C ATOM 341 O VAL A 24 -2.418 13.621 -4.632 1.00 14.43 O ATOM 342 CB VAL A 24 -1.810 15.174 -7.568 1.00 64.23 C ATOM 343 CG1 VAL A 24 -0.522 14.375 -7.284 1.00 42.30 C ATOM 344 CG2 VAL A 24 -2.162 15.101 -9.067 1.00 72.24 C ATOM 0 H VAL A 24 -3.990 16.316 -7.627 1.00 42.25 H new ATOM 0 HA VAL A 24 -3.297 13.678 -6.967 1.00 52.13 H new ATOM 0 HB VAL A 24 -1.608 16.208 -7.288 1.00 64.23 H new ATOM 0 HG11 VAL A 24 0.284 14.749 -7.915 1.00 42.30 H new ATOM 0 HG12 VAL A 24 -0.246 14.490 -6.236 1.00 42.30 H new ATOM 0 HG13 VAL A 24 -0.693 13.320 -7.500 1.00 42.30 H new ATOM 0 HG21 VAL A 24 -1.308 15.432 -9.658 1.00 72.24 H new ATOM 0 HG22 VAL A 24 -2.411 14.074 -9.333 1.00 72.24 H new ATOM 0 HG23 VAL A 24 -3.016 15.746 -9.272 1.00 72.24 H new ATOM 354 N LYS A 25 -2.670 15.864 -4.568 1.00 74.34 N ATOM 355 CA LYS A 25 -2.290 16.019 -3.147 1.00 42.11 C ATOM 356 C LYS A 25 -3.386 15.500 -2.187 1.00 61.54 C ATOM 357 O LYS A 25 -3.085 15.125 -1.048 1.00 11.40 O ATOM 358 CB LYS A 25 -1.916 17.486 -2.820 1.00 33.44 C ATOM 359 CG LYS A 25 -0.804 18.070 -3.736 1.00 11.21 C ATOM 360 CD LYS A 25 0.129 19.072 -3.018 1.00 33.55 C ATOM 361 CE LYS A 25 0.979 18.399 -1.922 1.00 3.10 C ATOM 362 NZ LYS A 25 1.929 19.347 -1.295 1.00 51.03 N ATOM 0 H LYS A 25 -2.938 16.738 -5.020 1.00 74.34 H new ATOM 0 HA LYS A 25 -1.406 15.401 -2.990 1.00 42.11 H new ATOM 0 HB2 LYS A 25 -2.808 18.106 -2.907 1.00 33.44 H new ATOM 0 HB3 LYS A 25 -1.587 17.544 -1.783 1.00 33.44 H new ATOM 0 HG2 LYS A 25 -0.205 17.250 -4.134 1.00 11.21 H new ATOM 0 HG3 LYS A 25 -1.270 18.567 -4.587 1.00 11.21 H new ATOM 0 HD2 LYS A 25 0.788 19.540 -3.750 1.00 33.55 H new ATOM 0 HD3 LYS A 25 -0.469 19.867 -2.573 1.00 33.55 H new ATOM 0 HE2 LYS A 25 0.322 17.985 -1.157 1.00 3.10 H new ATOM 0 HE3 LYS A 25 1.532 17.564 -2.353 1.00 3.10 H new ATOM 0 HZ1 LYS A 25 2.480 18.854 -0.564 1.00 51.03 H new ATOM 0 HZ2 LYS A 25 2.573 19.723 -2.020 1.00 51.03 H new ATOM 0 HZ3 LYS A 25 1.401 20.131 -0.860 1.00 51.03 H new ATOM 376 N ARG A 26 -4.652 15.521 -2.638 1.00 41.01 N ATOM 377 CA ARG A 26 -5.797 14.997 -1.857 1.00 1.12 C ATOM 378 C ARG A 26 -5.742 13.444 -1.823 1.00 52.52 C ATOM 379 O ARG A 26 -6.060 12.825 -0.803 1.00 13.41 O ATOM 380 CB ARG A 26 -7.136 15.541 -2.447 1.00 32.23 C ATOM 381 CG ARG A 26 -8.382 15.429 -1.520 1.00 50.03 C ATOM 382 CD ARG A 26 -9.121 14.081 -1.625 1.00 12.35 C ATOM 383 NE ARG A 26 -10.054 13.861 -0.502 1.00 61.01 N ATOM 384 CZ ARG A 26 -11.345 13.622 -0.603 1.00 3.00 C ATOM 385 NH1 ARG A 26 -11.962 13.659 -1.749 1.00 4.22 N ATOM 386 NH2 ARG A 26 -12.017 13.336 0.464 1.00 1.53 N ATOM 0 H ARG A 26 -4.915 15.898 -3.548 1.00 41.01 H new ATOM 0 HA ARG A 26 -5.739 15.344 -0.825 1.00 1.12 H new ATOM 0 HB2 ARG A 26 -6.996 16.590 -2.710 1.00 32.23 H new ATOM 0 HB3 ARG A 26 -7.347 15.006 -3.373 1.00 32.23 H new ATOM 0 HG2 ARG A 26 -8.069 15.581 -0.487 1.00 50.03 H new ATOM 0 HG3 ARG A 26 -9.077 16.233 -1.763 1.00 50.03 H new ATOM 0 HD2 ARG A 26 -9.673 14.045 -2.564 1.00 12.35 H new ATOM 0 HD3 ARG A 26 -8.392 13.271 -1.652 1.00 12.35 H new ATOM 0 HE ARG A 26 -9.662 13.898 0.439 1.00 61.01 H new ATOM 0 HH11 ARG A 26 -11.444 13.878 -2.600 1.00 4.22 H new ATOM 0 HH12 ARG A 26 -12.963 13.469 -1.796 1.00 4.22 H new ATOM 0 HH21 ARG A 26 -11.546 13.298 1.368 1.00 1.53 H new ATOM 0 HH22 ARG A 26 -13.018 13.148 0.402 1.00 1.53 H new ATOM 400 N VAL A 27 -5.314 12.834 -2.947 1.00 34.32 N ATOM 401 CA VAL A 27 -5.052 11.373 -3.027 1.00 33.32 C ATOM 402 C VAL A 27 -3.717 11.022 -2.300 1.00 55.34 C ATOM 403 O VAL A 27 -3.570 9.943 -1.749 1.00 75.42 O ATOM 404 CB VAL A 27 -5.019 10.863 -4.523 1.00 63.11 C ATOM 405 CG1 VAL A 27 -4.898 9.312 -4.597 1.00 44.13 C ATOM 406 CG2 VAL A 27 -6.264 11.357 -5.308 1.00 63.03 C ATOM 0 H VAL A 27 -5.140 13.331 -3.821 1.00 34.32 H new ATOM 0 HA VAL A 27 -5.874 10.862 -2.526 1.00 33.32 H new ATOM 0 HB VAL A 27 -4.131 11.286 -4.992 1.00 63.11 H new ATOM 0 HG11 VAL A 27 -4.878 8.998 -5.641 1.00 44.13 H new ATOM 0 HG12 VAL A 27 -3.978 8.995 -4.105 1.00 44.13 H new ATOM 0 HG13 VAL A 27 -5.753 8.856 -4.097 1.00 44.13 H new ATOM 0 HG21 VAL A 27 -6.216 10.992 -6.334 1.00 63.03 H new ATOM 0 HG22 VAL A 27 -7.168 10.980 -4.831 1.00 63.03 H new ATOM 0 HG23 VAL A 27 -6.283 12.447 -5.311 1.00 63.03 H new ATOM 416 N TRP A 28 -2.749 11.956 -2.318 1.00 44.43 N ATOM 417 CA TRP A 28 -1.470 11.839 -1.558 1.00 32.31 C ATOM 418 C TRP A 28 -1.706 11.873 -0.024 1.00 54.24 C ATOM 419 O TRP A 28 -0.963 11.250 0.743 1.00 71.44 O ATOM 420 CB TRP A 28 -0.509 12.982 -1.994 1.00 34.53 C ATOM 421 CG TRP A 28 0.830 13.017 -1.281 1.00 11.32 C ATOM 422 CD1 TRP A 28 1.206 13.839 -0.250 1.00 41.42 C ATOM 423 CD2 TRP A 28 1.964 12.190 -1.560 1.00 31.14 C ATOM 424 NE1 TRP A 28 2.490 13.562 0.128 1.00 73.02 N ATOM 425 CE2 TRP A 28 2.979 12.557 -0.660 1.00 12.34 C ATOM 426 CE3 TRP A 28 2.214 11.175 -2.483 1.00 72.11 C ATOM 427 CZ2 TRP A 28 4.224 11.945 -0.657 1.00 33.43 C ATOM 428 CZ3 TRP A 28 3.448 10.572 -2.480 1.00 42.14 C ATOM 429 CH2 TRP A 28 4.442 10.960 -1.570 1.00 4.15 C ATOM 0 H TRP A 28 -2.822 12.818 -2.858 1.00 44.43 H new ATOM 0 HA TRP A 28 -1.018 10.874 -1.787 1.00 32.31 H new ATOM 0 HB2 TRP A 28 -0.328 12.892 -3.065 1.00 34.53 H new ATOM 0 HB3 TRP A 28 -1.011 13.936 -1.834 1.00 34.53 H new ATOM 0 HD1 TRP A 28 0.579 14.595 0.198 1.00 41.42 H new ATOM 0 HE1 TRP A 28 3.001 14.029 0.877 1.00 73.02 H new ATOM 0 HE3 TRP A 28 1.453 10.869 -3.186 1.00 72.11 H new ATOM 0 HZ2 TRP A 28 4.991 12.239 0.044 1.00 33.43 H new ATOM 0 HZ3 TRP A 28 3.656 9.786 -3.190 1.00 42.14 H new ATOM 0 HH2 TRP A 28 5.402 10.466 -1.594 1.00 4.15 H new ATOM 440 N ALA A 29 -2.750 12.608 0.401 1.00 13.23 N ATOM 441 CA ALA A 29 -3.102 12.788 1.829 1.00 65.12 C ATOM 442 C ALA A 29 -3.430 11.449 2.548 1.00 41.24 C ATOM 443 O ALA A 29 -3.169 11.310 3.745 1.00 73.42 O ATOM 444 CB ALA A 29 -4.276 13.765 1.954 1.00 61.41 C ATOM 0 H ALA A 29 -3.378 13.097 -0.236 1.00 13.23 H new ATOM 0 HA ALA A 29 -2.224 13.198 2.328 1.00 65.12 H new ATOM 0 HB1 ALA A 29 -4.531 13.894 3.006 1.00 61.41 H new ATOM 0 HB2 ALA A 29 -3.995 14.728 1.528 1.00 61.41 H new ATOM 0 HB3 ALA A 29 -5.138 13.369 1.417 1.00 61.41 H new ATOM 450 N ILE A 30 -3.976 10.459 1.796 1.00 35.45 N ATOM 451 CA ILE A 30 -4.322 9.114 2.351 1.00 54.05 C ATOM 452 C ILE A 30 -3.054 8.262 2.642 1.00 73.15 C ATOM 453 O ILE A 30 -3.146 7.176 3.200 1.00 64.03 O ATOM 454 CB ILE A 30 -5.290 8.308 1.400 1.00 74.30 C ATOM 455 CG1 ILE A 30 -4.518 7.748 0.166 1.00 64.24 C ATOM 456 CG2 ILE A 30 -6.492 9.179 0.964 1.00 12.00 C ATOM 457 CD1 ILE A 30 -5.355 7.067 -0.889 1.00 13.23 C ATOM 0 H ILE A 30 -4.188 10.562 0.804 1.00 35.45 H new ATOM 0 HA ILE A 30 -4.840 9.304 3.291 1.00 54.05 H new ATOM 0 HB ILE A 30 -5.684 7.459 1.959 1.00 74.30 H new ATOM 0 HG12 ILE A 30 -3.978 8.571 -0.303 1.00 64.24 H new ATOM 0 HG13 ILE A 30 -3.771 7.038 0.522 1.00 64.24 H new ATOM 0 HG21 ILE A 30 -7.143 8.599 0.309 1.00 12.00 H new ATOM 0 HG22 ILE A 30 -7.051 9.495 1.845 1.00 12.00 H new ATOM 0 HG23 ILE A 30 -6.130 10.058 0.430 1.00 12.00 H new ATOM 0 HD11 ILE A 30 -4.711 6.719 -1.696 1.00 13.23 H new ATOM 0 HD12 ILE A 30 -5.875 6.217 -0.448 1.00 13.23 H new ATOM 0 HD13 ILE A 30 -6.085 7.773 -1.286 1.00 13.23 H new ATOM 469 N TRP A 31 -1.890 8.744 2.186 1.00 2.32 N ATOM 470 CA TRP A 31 -0.571 8.123 2.446 1.00 44.52 C ATOM 471 C TRP A 31 0.205 8.914 3.513 1.00 45.13 C ATOM 472 O TRP A 31 0.939 8.338 4.324 1.00 52.13 O ATOM 473 CB TRP A 31 0.236 8.081 1.125 1.00 10.04 C ATOM 474 CG TRP A 31 -0.428 7.242 0.057 1.00 14.21 C ATOM 475 CD1 TRP A 31 -1.174 7.670 -1.011 1.00 24.22 C ATOM 476 CD2 TRP A 31 -0.414 5.816 -0.008 1.00 25.23 C ATOM 477 NE1 TRP A 31 -1.633 6.586 -1.719 1.00 40.34 N ATOM 478 CE2 TRP A 31 -1.173 5.439 -1.124 1.00 13.31 C ATOM 479 CE3 TRP A 31 0.172 4.823 0.780 1.00 5.53 C ATOM 480 CZ2 TRP A 31 -1.355 4.108 -1.478 1.00 43.21 C ATOM 481 CZ3 TRP A 31 -0.010 3.504 0.431 1.00 15.34 C ATOM 482 CH2 TRP A 31 -0.765 3.154 -0.687 1.00 73.21 C ATOM 0 H TRP A 31 -1.830 9.589 1.617 1.00 2.32 H new ATOM 0 HA TRP A 31 -0.722 7.110 2.820 1.00 44.52 H new ATOM 0 HB2 TRP A 31 0.367 9.097 0.753 1.00 10.04 H new ATOM 0 HB3 TRP A 31 1.231 7.684 1.325 1.00 10.04 H new ATOM 0 HD1 TRP A 31 -1.371 8.703 -1.258 1.00 24.22 H new ATOM 0 HE1 TRP A 31 -2.220 6.627 -2.552 1.00 40.34 H new ATOM 0 HE3 TRP A 31 0.758 5.086 1.648 1.00 5.53 H new ATOM 0 HZ2 TRP A 31 -1.939 3.834 -2.344 1.00 43.21 H new ATOM 0 HZ3 TRP A 31 0.439 2.728 1.033 1.00 15.34 H new ATOM 0 HH2 TRP A 31 -0.888 2.110 -0.936 1.00 73.21 H new ATOM 493 N GLU A 32 0.026 10.246 3.487 1.00 32.15 N ATOM 494 CA GLU A 32 0.770 11.184 4.345 1.00 52.51 C ATOM 495 C GLU A 32 0.265 11.163 5.807 1.00 23.20 C ATOM 496 O GLU A 32 1.066 11.080 6.751 1.00 33.13 O ATOM 497 CB GLU A 32 0.697 12.611 3.739 1.00 32.43 C ATOM 498 CG GLU A 32 1.516 13.672 4.500 1.00 1.12 C ATOM 499 CD GLU A 32 1.719 14.962 3.691 1.00 0.45 C ATOM 500 OE1 GLU A 32 2.631 14.994 2.838 1.00 22.22 O ATOM 501 OE2 GLU A 32 0.956 15.939 3.887 1.00 71.44 O ATOM 0 H GLU A 32 -0.642 10.704 2.867 1.00 32.15 H new ATOM 0 HA GLU A 32 1.812 10.865 4.378 1.00 52.51 H new ATOM 0 HB2 GLU A 32 1.046 12.572 2.707 1.00 32.43 H new ATOM 0 HB3 GLU A 32 -0.346 12.927 3.711 1.00 32.43 H new ATOM 0 HG2 GLU A 32 1.011 13.911 5.436 1.00 1.12 H new ATOM 0 HG3 GLU A 32 2.489 13.255 4.760 1.00 1.12 H new ATOM 508 N ASP A 33 -1.064 11.230 5.983 1.00 11.10 N ATOM 509 CA ASP A 33 -1.697 11.250 7.317 1.00 61.12 C ATOM 510 C ASP A 33 -1.942 9.794 7.835 1.00 44.15 C ATOM 511 O ASP A 33 -2.435 8.952 7.074 1.00 31.13 O ATOM 512 CB ASP A 33 -3.029 12.036 7.244 1.00 63.02 C ATOM 513 CG ASP A 33 -3.646 12.283 8.631 1.00 61.03 C ATOM 514 OD1 ASP A 33 -4.435 11.442 9.106 1.00 74.13 O ATOM 515 OD2 ASP A 33 -3.317 13.304 9.267 1.00 31.35 O ATOM 0 H ASP A 33 -1.729 11.272 5.211 1.00 11.10 H new ATOM 0 HA ASP A 33 -1.029 11.746 8.021 1.00 61.12 H new ATOM 0 HB2 ASP A 33 -2.856 12.993 6.752 1.00 63.02 H new ATOM 0 HB3 ASP A 33 -3.739 11.485 6.627 1.00 63.02 H new ATOM 520 N PRO A 34 -1.602 9.474 9.141 1.00 41.41 N ATOM 521 CA PRO A 34 -1.789 8.102 9.715 1.00 3.14 C ATOM 522 C PRO A 34 -3.275 7.644 9.767 1.00 51.01 C ATOM 523 O PRO A 34 -3.578 6.478 9.498 1.00 33.32 O ATOM 524 CB PRO A 34 -1.186 8.222 11.145 1.00 12.22 C ATOM 525 CG PRO A 34 -1.251 9.689 11.459 1.00 54.13 C ATOM 526 CD PRO A 34 -0.985 10.390 10.144 1.00 14.34 C ATOM 0 HA PRO A 34 -1.308 7.344 9.097 1.00 3.14 H new ATOM 0 HB2 PRO A 34 -1.756 7.636 11.866 1.00 12.22 H new ATOM 0 HB3 PRO A 34 -0.160 7.855 11.175 1.00 12.22 H new ATOM 0 HG2 PRO A 34 -2.227 9.963 11.860 1.00 54.13 H new ATOM 0 HG3 PRO A 34 -0.509 9.964 12.209 1.00 54.13 H new ATOM 0 HD2 PRO A 34 -1.438 11.381 10.117 1.00 14.34 H new ATOM 0 HD3 PRO A 34 0.082 10.522 9.966 1.00 14.34 H new ATOM 534 N ARG A 35 -4.184 8.583 10.116 1.00 1.33 N ATOM 535 CA ARG A 35 -5.646 8.310 10.206 1.00 61.01 C ATOM 536 C ARG A 35 -6.261 8.112 8.800 1.00 65.51 C ATOM 537 O ARG A 35 -7.093 7.226 8.603 1.00 61.42 O ATOM 538 CB ARG A 35 -6.393 9.442 10.978 1.00 21.20 C ATOM 539 CG ARG A 35 -6.395 9.335 12.530 1.00 62.41 C ATOM 540 CD ARG A 35 -4.991 9.255 13.183 1.00 20.10 C ATOM 541 NE ARG A 35 -4.501 7.866 13.327 1.00 30.31 N ATOM 542 CZ ARG A 35 -3.551 7.474 14.152 1.00 15.42 C ATOM 543 NH1 ARG A 35 -2.883 8.318 14.873 1.00 75.13 N ATOM 544 NH2 ARG A 35 -3.260 6.224 14.244 1.00 2.11 N ATOM 0 H ARG A 35 -3.933 9.545 10.342 1.00 1.33 H new ATOM 0 HA ARG A 35 -5.771 7.385 10.768 1.00 61.01 H new ATOM 0 HB2 ARG A 35 -5.946 10.397 10.702 1.00 21.20 H new ATOM 0 HB3 ARG A 35 -7.428 9.464 10.636 1.00 21.20 H new ATOM 0 HG2 ARG A 35 -6.920 10.199 12.938 1.00 62.41 H new ATOM 0 HG3 ARG A 35 -6.964 8.451 12.818 1.00 62.41 H new ATOM 0 HD2 ARG A 35 -4.283 9.824 12.581 1.00 20.10 H new ATOM 0 HD3 ARG A 35 -5.025 9.726 14.165 1.00 20.10 H new ATOM 0 HE ARG A 35 -4.934 7.154 12.739 1.00 30.31 H new ATOM 0 HH11 ARG A 35 -3.087 9.315 14.811 1.00 75.13 H new ATOM 0 HH12 ARG A 35 -2.153 7.985 15.503 1.00 75.13 H new ATOM 0 HH21 ARG A 35 -3.764 5.540 13.679 1.00 2.11 H new ATOM 0 HH22 ARG A 35 -2.525 5.917 14.881 1.00 2.11 H new ATOM 558 N GLN A 36 -5.835 8.952 7.837 1.00 50.40 N ATOM 559 CA GLN A 36 -6.259 8.848 6.415 1.00 43.52 C ATOM 560 C GLN A 36 -5.770 7.538 5.759 1.00 64.00 C ATOM 561 O GLN A 36 -6.401 7.043 4.830 1.00 61.10 O ATOM 562 CB GLN A 36 -5.733 10.064 5.612 1.00 60.22 C ATOM 563 CG GLN A 36 -6.311 11.439 6.016 1.00 31.43 C ATOM 564 CD GLN A 36 -7.678 11.775 5.418 1.00 21.12 C ATOM 565 OE1 GLN A 36 -8.507 10.910 5.152 1.00 44.40 O ATOM 566 NE2 GLN A 36 -7.914 13.053 5.198 1.00 43.32 N ATOM 0 H GLN A 36 -5.189 9.721 8.015 1.00 50.40 H new ATOM 0 HA GLN A 36 -7.349 8.840 6.400 1.00 43.52 H new ATOM 0 HB2 GLN A 36 -4.649 10.102 5.716 1.00 60.22 H new ATOM 0 HB3 GLN A 36 -5.946 9.898 4.556 1.00 60.22 H new ATOM 0 HG2 GLN A 36 -6.389 11.477 7.103 1.00 31.43 H new ATOM 0 HG3 GLN A 36 -5.603 12.213 5.720 1.00 31.43 H new ATOM 0 HE21 GLN A 36 -7.206 13.750 5.429 1.00 43.32 H new ATOM 0 HE22 GLN A 36 -8.805 13.345 4.796 1.00 43.32 H new ATOM 575 N LEU A 37 -4.629 7.006 6.235 1.00 53.33 N ATOM 576 CA LEU A 37 -4.073 5.727 5.742 1.00 12.12 C ATOM 577 C LEU A 37 -4.848 4.515 6.304 1.00 62.43 C ATOM 578 O LEU A 37 -5.327 3.676 5.541 1.00 61.14 O ATOM 579 CB LEU A 37 -2.569 5.646 6.094 1.00 45.03 C ATOM 580 CG LEU A 37 -1.810 4.335 5.695 1.00 54.25 C ATOM 581 CD1 LEU A 37 -1.929 4.004 4.188 1.00 13.31 C ATOM 582 CD2 LEU A 37 -0.337 4.434 6.115 1.00 54.15 C ATOM 0 H LEU A 37 -4.069 7.444 6.966 1.00 53.33 H new ATOM 0 HA LEU A 37 -4.184 5.695 4.658 1.00 12.12 H new ATOM 0 HB2 LEU A 37 -2.065 6.487 5.617 1.00 45.03 H new ATOM 0 HB3 LEU A 37 -2.466 5.781 7.171 1.00 45.03 H new ATOM 0 HG LEU A 37 -2.287 3.512 6.228 1.00 54.25 H new ATOM 0 HD11 LEU A 37 -1.383 3.085 3.973 1.00 13.31 H new ATOM 0 HD12 LEU A 37 -2.979 3.872 3.926 1.00 13.31 H new ATOM 0 HD13 LEU A 37 -1.509 4.821 3.602 1.00 13.31 H new ATOM 0 HD21 LEU A 37 0.184 3.519 5.834 1.00 54.15 H new ATOM 0 HD22 LEU A 37 0.128 5.284 5.615 1.00 54.15 H new ATOM 0 HD23 LEU A 37 -0.275 4.570 7.195 1.00 54.15 H new ATOM 594 N GLU A 38 -5.021 4.468 7.640 1.00 15.41 N ATOM 595 CA GLU A 38 -5.772 3.372 8.328 1.00 74.33 C ATOM 596 C GLU A 38 -7.294 3.452 8.050 1.00 45.23 C ATOM 597 O GLU A 38 -8.051 2.537 8.402 1.00 54.53 O ATOM 598 CB GLU A 38 -5.512 3.423 9.848 1.00 12.43 C ATOM 599 CG GLU A 38 -6.078 4.676 10.547 1.00 71.00 C ATOM 600 CD GLU A 38 -5.606 4.868 11.991 1.00 10.53 C ATOM 601 OE1 GLU A 38 -4.454 4.503 12.295 1.00 21.51 O ATOM 602 OE2 GLU A 38 -6.351 5.452 12.808 1.00 71.11 O ATOM 0 H GLU A 38 -4.653 5.175 8.276 1.00 15.41 H new ATOM 0 HA GLU A 38 -5.411 2.425 7.927 1.00 74.33 H new ATOM 0 HB2 GLU A 38 -5.947 2.536 10.309 1.00 12.43 H new ATOM 0 HB3 GLU A 38 -4.437 3.378 10.023 1.00 12.43 H new ATOM 0 HG2 GLU A 38 -5.800 5.556 9.968 1.00 71.00 H new ATOM 0 HG3 GLU A 38 -7.167 4.620 10.539 1.00 71.00 H new ATOM 609 N ARG A 39 -7.716 4.564 7.418 1.00 70.41 N ATOM 610 CA ARG A 39 -9.090 4.774 6.937 1.00 74.54 C ATOM 611 C ARG A 39 -9.489 3.707 5.886 1.00 51.14 C ATOM 612 O ARG A 39 -10.670 3.396 5.716 1.00 14.12 O ATOM 613 CB ARG A 39 -9.181 6.202 6.327 1.00 64.34 C ATOM 614 CG ARG A 39 -10.585 6.693 5.906 1.00 50.25 C ATOM 615 CD ARG A 39 -11.474 7.154 7.082 1.00 22.34 C ATOM 616 NE ARG A 39 -11.888 6.056 7.986 1.00 11.04 N ATOM 617 CZ ARG A 39 -13.015 5.994 8.651 1.00 31.31 C ATOM 618 NH1 ARG A 39 -13.903 6.928 8.561 1.00 53.32 N ATOM 619 NH2 ARG A 39 -13.239 4.982 9.411 1.00 11.54 N ATOM 0 H ARG A 39 -7.099 5.353 7.225 1.00 70.41 H new ATOM 0 HA ARG A 39 -9.784 4.676 7.772 1.00 74.54 H new ATOM 0 HB2 ARG A 39 -8.778 6.908 7.053 1.00 64.34 H new ATOM 0 HB3 ARG A 39 -8.532 6.240 5.452 1.00 64.34 H new ATOM 0 HG2 ARG A 39 -10.473 7.519 5.204 1.00 50.25 H new ATOM 0 HG3 ARG A 39 -11.094 5.889 5.374 1.00 50.25 H new ATOM 0 HD2 ARG A 39 -10.935 7.904 7.660 1.00 22.34 H new ATOM 0 HD3 ARG A 39 -12.365 7.639 6.683 1.00 22.34 H new ATOM 0 HE ARG A 39 -11.238 5.279 8.101 1.00 11.04 H new ATOM 0 HH11 ARG A 39 -13.734 7.736 7.962 1.00 53.32 H new ATOM 0 HH12 ARG A 39 -14.773 6.857 9.089 1.00 53.32 H new ATOM 0 HH21 ARG A 39 -12.544 4.240 9.491 1.00 11.54 H new ATOM 0 HH22 ARG A 39 -14.112 4.921 9.935 1.00 11.54 H new ATOM 633 N TRP A 40 -8.476 3.148 5.193 1.00 51.24 N ATOM 634 CA TRP A 40 -8.688 2.170 4.108 1.00 53.45 C ATOM 635 C TRP A 40 -7.656 1.016 4.110 1.00 20.23 C ATOM 636 O TRP A 40 -7.835 0.051 3.369 1.00 20.10 O ATOM 637 CB TRP A 40 -8.652 2.910 2.749 1.00 52.12 C ATOM 638 CG TRP A 40 -7.331 3.595 2.484 1.00 43.21 C ATOM 639 CD1 TRP A 40 -6.952 4.849 2.869 1.00 40.33 C ATOM 640 CD2 TRP A 40 -6.216 3.042 1.787 1.00 3.04 C ATOM 641 NE1 TRP A 40 -5.666 5.096 2.461 1.00 44.14 N ATOM 642 CE2 TRP A 40 -5.202 4.007 1.780 1.00 11.40 C ATOM 643 CE3 TRP A 40 -5.995 1.818 1.165 1.00 31.30 C ATOM 644 CZ2 TRP A 40 -3.981 3.777 1.170 1.00 12.43 C ATOM 645 CZ3 TRP A 40 -4.791 1.589 0.558 1.00 3.31 C ATOM 646 CH2 TRP A 40 -3.800 2.562 0.563 1.00 63.22 C ATOM 0 H TRP A 40 -7.494 3.361 5.369 1.00 51.24 H new ATOM 0 HA TRP A 40 -9.661 1.708 4.273 1.00 53.45 H new ATOM 0 HB2 TRP A 40 -8.853 2.198 1.948 1.00 52.12 H new ATOM 0 HB3 TRP A 40 -9.451 3.651 2.724 1.00 52.12 H new ATOM 0 HD1 TRP A 40 -7.573 5.544 3.414 1.00 40.33 H new ATOM 0 HE1 TRP A 40 -5.142 5.953 2.637 1.00 44.14 H new ATOM 0 HE3 TRP A 40 -6.763 1.059 1.161 1.00 31.30 H new ATOM 0 HZ2 TRP A 40 -3.202 4.525 1.172 1.00 12.43 H new ATOM 0 HZ3 TRP A 40 -4.609 0.643 0.070 1.00 3.31 H new ATOM 0 HH2 TRP A 40 -2.859 2.355 0.074 1.00 63.22 H new ATOM 657 N TRP A 41 -6.563 1.144 4.902 1.00 32.11 N ATOM 658 CA TRP A 41 -5.414 0.196 4.852 1.00 63.52 C ATOM 659 C TRP A 41 -5.833 -1.225 5.304 1.00 44.04 C ATOM 660 O TRP A 41 -6.170 -1.448 6.473 1.00 3.21 O ATOM 661 CB TRP A 41 -4.222 0.724 5.697 1.00 41.52 C ATOM 662 CG TRP A 41 -2.914 -0.004 5.452 1.00 10.31 C ATOM 663 CD1 TRP A 41 -2.171 -0.724 6.349 1.00 11.21 C ATOM 664 CD2 TRP A 41 -2.200 -0.080 4.205 1.00 74.51 C ATOM 665 NE1 TRP A 41 -1.050 -1.224 5.740 1.00 61.44 N ATOM 666 CE2 TRP A 41 -1.050 -0.845 4.427 1.00 3.11 C ATOM 667 CE3 TRP A 41 -2.425 0.427 2.923 1.00 12.23 C ATOM 668 CZ2 TRP A 41 -0.131 -1.116 3.420 1.00 32.34 C ATOM 669 CZ3 TRP A 41 -1.516 0.160 1.925 1.00 1.23 C ATOM 670 CH2 TRP A 41 -0.380 -0.604 2.176 1.00 21.55 C ATOM 0 H TRP A 41 -6.450 1.894 5.584 1.00 32.11 H new ATOM 0 HA TRP A 41 -5.087 0.126 3.815 1.00 63.52 H new ATOM 0 HB2 TRP A 41 -4.081 1.783 5.483 1.00 41.52 H new ATOM 0 HB3 TRP A 41 -4.477 0.644 6.754 1.00 41.52 H new ATOM 0 HD1 TRP A 41 -2.431 -0.876 7.386 1.00 11.21 H new ATOM 0 HE1 TRP A 41 -0.331 -1.788 6.194 1.00 61.44 H new ATOM 0 HE3 TRP A 41 -3.303 1.022 2.717 1.00 12.23 H new ATOM 0 HZ2 TRP A 41 0.750 -1.711 3.613 1.00 32.34 H new ATOM 0 HZ3 TRP A 41 -1.687 0.549 0.932 1.00 1.23 H new ATOM 0 HH2 TRP A 41 0.318 -0.796 1.374 1.00 21.55 H new ATOM 681 N GLY A 42 -5.813 -2.168 4.341 1.00 25.35 N ATOM 682 CA GLY A 42 -6.361 -3.516 4.535 1.00 25.31 C ATOM 683 C GLY A 42 -7.827 -3.625 4.088 1.00 53.33 C ATOM 684 O GLY A 42 -8.421 -2.626 3.670 1.00 14.14 O ATOM 0 H GLY A 42 -5.418 -2.013 3.413 1.00 25.35 H new ATOM 0 HA2 GLY A 42 -5.760 -4.233 3.976 1.00 25.31 H new ATOM 0 HA3 GLY A 42 -6.284 -3.788 5.588 1.00 25.31 H new ATOM 688 N PRO A 43 -8.445 -4.846 4.139 1.00 63.11 N ATOM 689 CA PRO A 43 -9.881 -5.029 3.790 1.00 13.12 C ATOM 690 C PRO A 43 -10.840 -4.380 4.839 1.00 52.52 C ATOM 691 O PRO A 43 -10.419 -4.091 5.962 1.00 73.01 O ATOM 692 CB PRO A 43 -10.052 -6.585 3.751 1.00 40.24 C ATOM 693 CG PRO A 43 -8.653 -7.137 3.757 1.00 53.34 C ATOM 694 CD PRO A 43 -7.818 -6.130 4.516 1.00 11.43 C ATOM 0 HA PRO A 43 -10.139 -4.543 2.849 1.00 13.12 H new ATOM 0 HB2 PRO A 43 -10.619 -6.940 4.611 1.00 40.24 H new ATOM 0 HB3 PRO A 43 -10.595 -6.899 2.860 1.00 40.24 H new ATOM 0 HG2 PRO A 43 -8.620 -8.115 4.238 1.00 53.34 H new ATOM 0 HG3 PRO A 43 -8.280 -7.269 2.741 1.00 53.34 H new ATOM 0 HD2 PRO A 43 -7.856 -6.300 5.592 1.00 11.43 H new ATOM 0 HD3 PRO A 43 -6.769 -6.170 4.224 1.00 11.43 H new ATOM 702 N PRO A 44 -12.148 -4.121 4.486 1.00 24.42 N ATOM 703 CA PRO A 44 -13.183 -3.679 5.478 1.00 1.45 C ATOM 704 C PRO A 44 -13.330 -4.650 6.689 1.00 44.44 C ATOM 705 O PRO A 44 -13.720 -4.241 7.786 1.00 32.04 O ATOM 706 CB PRO A 44 -14.485 -3.632 4.634 1.00 23.25 C ATOM 707 CG PRO A 44 -14.021 -3.443 3.217 1.00 21.24 C ATOM 708 CD PRO A 44 -12.703 -4.181 3.105 1.00 13.31 C ATOM 0 HA PRO A 44 -12.922 -2.726 5.938 1.00 1.45 H new ATOM 0 HB2 PRO A 44 -15.059 -4.552 4.742 1.00 23.25 H new ATOM 0 HB3 PRO A 44 -15.132 -2.814 4.950 1.00 23.25 H new ATOM 0 HG2 PRO A 44 -14.751 -3.840 2.512 1.00 21.24 H new ATOM 0 HG3 PRO A 44 -13.896 -2.385 2.985 1.00 21.24 H new ATOM 0 HD2 PRO A 44 -12.847 -5.210 2.775 1.00 13.31 H new ATOM 0 HD3 PRO A 44 -12.037 -3.705 2.385 1.00 13.31 H new ATOM 716 N THR A 45 -13.013 -5.940 6.448 1.00 74.55 N ATOM 717 CA THR A 45 -13.007 -7.002 7.484 1.00 40.14 C ATOM 718 C THR A 45 -11.807 -6.858 8.452 1.00 24.44 C ATOM 719 O THR A 45 -11.934 -7.091 9.658 1.00 62.32 O ATOM 720 CB THR A 45 -12.960 -8.416 6.817 1.00 64.43 C ATOM 721 OG1 THR A 45 -11.797 -8.515 5.975 1.00 54.30 O ATOM 722 CG2 THR A 45 -14.214 -8.692 5.972 1.00 62.41 C ATOM 0 H THR A 45 -12.752 -6.279 5.522 1.00 74.55 H new ATOM 0 HA THR A 45 -13.927 -6.893 8.058 1.00 40.14 H new ATOM 0 HB THR A 45 -12.917 -9.156 7.616 1.00 64.43 H new ATOM 0 HG1 THR A 45 -11.769 -9.402 5.559 1.00 54.30 H new ATOM 0 HG21 THR A 45 -14.141 -9.684 5.526 1.00 62.41 H new ATOM 0 HG22 THR A 45 -15.099 -8.643 6.607 1.00 62.41 H new ATOM 0 HG23 THR A 45 -14.293 -7.945 5.183 1.00 62.41 H new ATOM 730 N TRP A 46 -10.634 -6.474 7.901 1.00 44.32 N ATOM 731 CA TRP A 46 -9.377 -6.279 8.675 1.00 45.14 C ATOM 732 C TRP A 46 -8.834 -4.823 8.491 1.00 10.14 C ATOM 733 O TRP A 46 -7.910 -4.600 7.698 1.00 14.22 O ATOM 734 CB TRP A 46 -8.306 -7.328 8.234 1.00 22.24 C ATOM 735 CG TRP A 46 -8.614 -8.763 8.621 1.00 75.32 C ATOM 736 CD1 TRP A 46 -9.561 -9.592 8.082 1.00 54.33 C ATOM 737 CD2 TRP A 46 -7.941 -9.543 9.623 1.00 74.32 C ATOM 738 NE1 TRP A 46 -9.549 -10.806 8.721 1.00 13.43 N ATOM 739 CE2 TRP A 46 -8.559 -10.806 9.656 1.00 53.55 C ATOM 740 CE3 TRP A 46 -6.888 -9.288 10.498 1.00 22.24 C ATOM 741 CZ2 TRP A 46 -8.158 -11.807 10.529 1.00 33.41 C ATOM 742 CZ3 TRP A 46 -6.487 -10.283 11.366 1.00 42.12 C ATOM 743 CH2 TRP A 46 -7.121 -11.529 11.375 1.00 53.24 C ATOM 0 H TRP A 46 -10.527 -6.289 6.904 1.00 44.32 H new ATOM 0 HA TRP A 46 -9.594 -6.427 9.733 1.00 45.14 H new ATOM 0 HB2 TRP A 46 -8.193 -7.276 7.151 1.00 22.24 H new ATOM 0 HB3 TRP A 46 -7.346 -7.049 8.668 1.00 22.24 H new ATOM 0 HD1 TRP A 46 -10.223 -9.328 7.270 1.00 54.33 H new ATOM 0 HE1 TRP A 46 -10.180 -11.583 8.527 1.00 13.43 H new ATOM 0 HE3 TRP A 46 -6.394 -8.328 10.497 1.00 22.24 H new ATOM 0 HZ2 TRP A 46 -8.647 -12.770 10.540 1.00 33.41 H new ATOM 0 HZ3 TRP A 46 -5.671 -10.096 12.049 1.00 42.12 H new ATOM 0 HH2 TRP A 46 -6.784 -12.288 12.065 1.00 53.24 H new ATOM 754 N PRO A 47 -9.443 -3.796 9.177 1.00 23.14 N ATOM 755 CA PRO A 47 -8.963 -2.388 9.108 1.00 51.41 C ATOM 756 C PRO A 47 -7.736 -2.120 10.027 1.00 32.23 C ATOM 757 O PRO A 47 -7.707 -2.555 11.187 1.00 13.45 O ATOM 758 CB PRO A 47 -10.206 -1.592 9.573 1.00 43.32 C ATOM 759 CG PRO A 47 -10.885 -2.506 10.557 1.00 43.21 C ATOM 760 CD PRO A 47 -10.659 -3.914 10.033 1.00 64.12 C ATOM 0 HA PRO A 47 -8.606 -2.114 8.115 1.00 51.41 H new ATOM 0 HB2 PRO A 47 -9.923 -0.647 10.037 1.00 43.32 H new ATOM 0 HB3 PRO A 47 -10.861 -1.352 8.735 1.00 43.32 H new ATOM 0 HG2 PRO A 47 -10.465 -2.388 11.556 1.00 43.21 H new ATOM 0 HG3 PRO A 47 -11.949 -2.281 10.630 1.00 43.21 H new ATOM 0 HD2 PRO A 47 -10.505 -4.622 10.847 1.00 64.12 H new ATOM 0 HD3 PRO A 47 -11.516 -4.268 9.460 1.00 64.12 H new ATOM 768 N ALA A 48 -6.735 -1.381 9.508 1.00 32.54 N ATOM 769 CA ALA A 48 -5.474 -1.105 10.240 1.00 60.01 C ATOM 770 C ALA A 48 -5.648 -0.067 11.381 1.00 62.01 C ATOM 771 O ALA A 48 -6.619 0.695 11.417 1.00 15.11 O ATOM 772 CB ALA A 48 -4.389 -0.643 9.260 1.00 55.43 C ATOM 0 H ALA A 48 -6.773 -0.961 8.579 1.00 32.54 H new ATOM 0 HA ALA A 48 -5.171 -2.039 10.713 1.00 60.01 H new ATOM 0 HB1 ALA A 48 -3.467 -0.443 9.806 1.00 55.43 H new ATOM 0 HB2 ALA A 48 -4.211 -1.424 8.520 1.00 55.43 H new ATOM 0 HB3 ALA A 48 -4.717 0.266 8.756 1.00 55.43 H new ATOM 778 N THR A 49 -4.686 -0.077 12.318 1.00 1.33 N ATOM 779 CA THR A 49 -4.576 0.916 13.411 1.00 43.45 C ATOM 780 C THR A 49 -3.088 1.173 13.715 1.00 0.04 C ATOM 781 O THR A 49 -2.387 0.285 14.222 1.00 64.43 O ATOM 782 CB THR A 49 -5.319 0.451 14.713 1.00 72.12 C ATOM 783 OG1 THR A 49 -6.729 0.308 14.452 1.00 71.42 O ATOM 784 CG2 THR A 49 -5.117 1.432 15.889 1.00 20.32 C ATOM 0 H THR A 49 -3.950 -0.783 12.342 1.00 1.33 H new ATOM 0 HA THR A 49 -5.057 1.836 13.079 1.00 43.45 H new ATOM 0 HB THR A 49 -4.888 -0.508 15.000 1.00 72.12 H new ATOM 0 HG1 THR A 49 -7.185 0.016 15.269 1.00 71.42 H new ATOM 0 HG21 THR A 49 -5.651 1.064 16.765 1.00 20.32 H new ATOM 0 HG22 THR A 49 -4.054 1.511 16.118 1.00 20.32 H new ATOM 0 HG23 THR A 49 -5.503 2.414 15.614 1.00 20.32 H new ATOM 792 N PHE A 50 -2.623 2.387 13.392 1.00 21.01 N ATOM 793 CA PHE A 50 -1.207 2.783 13.490 1.00 61.34 C ATOM 794 C PHE A 50 -0.851 3.287 14.901 1.00 33.14 C ATOM 795 O PHE A 50 -1.319 4.341 15.336 1.00 3.21 O ATOM 796 CB PHE A 50 -0.869 3.845 12.397 1.00 50.42 C ATOM 797 CG PHE A 50 -0.771 3.240 10.993 1.00 62.32 C ATOM 798 CD1 PHE A 50 -1.911 2.795 10.320 1.00 35.31 C ATOM 799 CD2 PHE A 50 0.467 3.068 10.367 1.00 72.20 C ATOM 800 CE1 PHE A 50 -1.821 2.202 9.077 1.00 61.05 C ATOM 801 CE2 PHE A 50 0.554 2.481 9.119 1.00 70.23 C ATOM 802 CZ PHE A 50 -0.590 2.042 8.478 1.00 2.21 C ATOM 0 H PHE A 50 -3.227 3.135 13.050 1.00 21.01 H new ATOM 0 HA PHE A 50 -0.594 1.900 13.311 1.00 61.34 H new ATOM 0 HB2 PHE A 50 -1.635 4.621 12.401 1.00 50.42 H new ATOM 0 HB3 PHE A 50 0.076 4.329 12.646 1.00 50.42 H new ATOM 0 HD1 PHE A 50 -2.880 2.917 10.780 1.00 35.31 H new ATOM 0 HD2 PHE A 50 1.367 3.398 10.865 1.00 72.20 H new ATOM 0 HE1 PHE A 50 -2.715 1.863 8.574 1.00 61.05 H new ATOM 0 HE2 PHE A 50 1.517 2.365 8.644 1.00 70.23 H new ATOM 0 HZ PHE A 50 -0.519 1.574 7.508 1.00 2.21 H new ATOM 812 N GLU A 51 -0.035 2.487 15.608 1.00 63.02 N ATOM 813 CA GLU A 51 0.646 2.890 16.853 1.00 64.11 C ATOM 814 C GLU A 51 1.587 4.087 16.581 1.00 51.43 C ATOM 815 O GLU A 51 1.662 5.029 17.368 1.00 30.30 O ATOM 816 CB GLU A 51 1.461 1.685 17.404 1.00 2.41 C ATOM 817 CG GLU A 51 0.622 0.423 17.703 1.00 72.21 C ATOM 818 CD GLU A 51 -0.274 0.552 18.951 1.00 71.21 C ATOM 819 OE1 GLU A 51 -1.420 1.047 18.839 1.00 4.34 O ATOM 820 OE2 GLU A 51 0.159 0.149 20.051 1.00 13.01 O ATOM 0 H GLU A 51 0.174 1.529 15.328 1.00 63.02 H new ATOM 0 HA GLU A 51 -0.097 3.193 17.590 1.00 64.11 H new ATOM 0 HB2 GLU A 51 2.236 1.427 16.682 1.00 2.41 H new ATOM 0 HB3 GLU A 51 1.967 1.994 18.319 1.00 2.41 H new ATOM 0 HG2 GLU A 51 -0.004 0.202 16.839 1.00 72.21 H new ATOM 0 HG3 GLU A 51 1.294 -0.425 17.836 1.00 72.21 H new ATOM 827 N THR A 52 2.290 4.022 15.431 1.00 41.22 N ATOM 828 CA THR A 52 3.153 5.115 14.938 1.00 63.11 C ATOM 829 C THR A 52 3.180 5.122 13.394 1.00 13.20 C ATOM 830 O THR A 52 2.927 4.092 12.757 1.00 40.32 O ATOM 831 CB THR A 52 4.619 5.013 15.494 1.00 2.50 C ATOM 832 OG1 THR A 52 5.357 6.190 15.135 1.00 61.13 O ATOM 833 CG2 THR A 52 5.377 3.766 14.998 1.00 2.44 C ATOM 0 H THR A 52 2.275 3.208 14.817 1.00 41.22 H new ATOM 0 HA THR A 52 2.725 6.049 15.302 1.00 63.11 H new ATOM 0 HB THR A 52 4.534 4.924 16.577 1.00 2.50 H new ATOM 0 HG1 THR A 52 6.270 6.123 15.485 1.00 61.13 H new ATOM 0 HG21 THR A 52 6.382 3.759 15.420 1.00 2.44 H new ATOM 0 HG22 THR A 52 4.845 2.868 15.312 1.00 2.44 H new ATOM 0 HG23 THR A 52 5.441 3.788 13.910 1.00 2.44 H new ATOM 841 N HIS A 53 3.475 6.293 12.807 1.00 61.32 N ATOM 842 CA HIS A 53 3.617 6.468 11.344 1.00 5.13 C ATOM 843 C HIS A 53 4.541 7.675 11.062 1.00 11.24 C ATOM 844 O HIS A 53 4.086 8.825 10.994 1.00 63.25 O ATOM 845 CB HIS A 53 2.215 6.635 10.681 1.00 62.14 C ATOM 846 CG HIS A 53 2.227 6.822 9.179 1.00 61.30 C ATOM 847 ND1 HIS A 53 2.258 8.076 8.625 1.00 2.01 N ATOM 848 CD2 HIS A 53 2.191 5.905 8.174 1.00 74.11 C ATOM 849 CE1 HIS A 53 2.242 7.905 7.322 1.00 3.22 C ATOM 850 NE2 HIS A 53 2.202 6.611 6.996 1.00 74.34 N ATOM 0 H HIS A 53 3.624 7.154 13.334 1.00 61.32 H new ATOM 0 HA HIS A 53 4.075 5.581 10.905 1.00 5.13 H new ATOM 0 HB2 HIS A 53 1.613 5.757 10.916 1.00 62.14 H new ATOM 0 HB3 HIS A 53 1.718 7.493 11.133 1.00 62.14 H new ATOM 0 HD2 HIS A 53 2.160 4.831 8.282 1.00 74.11 H new ATOM 0 HE1 HIS A 53 2.259 8.711 6.604 1.00 3.22 H new ATOM 0 HE2 HIS A 53 2.183 6.222 6.053 1.00 74.34 H new ATOM 858 N GLU A 54 5.853 7.403 10.967 1.00 65.14 N ATOM 859 CA GLU A 54 6.876 8.431 10.674 1.00 44.33 C ATOM 860 C GLU A 54 6.970 8.656 9.163 1.00 4.32 C ATOM 861 O GLU A 54 7.723 7.953 8.491 1.00 71.35 O ATOM 862 CB GLU A 54 8.273 8.006 11.227 1.00 54.32 C ATOM 863 CG GLU A 54 8.278 7.556 12.691 1.00 52.11 C ATOM 864 CD GLU A 54 7.788 8.643 13.658 1.00 22.53 C ATOM 865 OE1 GLU A 54 8.546 9.599 13.914 1.00 10.52 O ATOM 866 OE2 GLU A 54 6.645 8.560 14.155 1.00 75.53 O ATOM 0 H GLU A 54 6.238 6.467 11.090 1.00 65.14 H new ATOM 0 HA GLU A 54 6.577 9.357 11.165 1.00 44.33 H new ATOM 0 HB2 GLU A 54 8.659 7.194 10.611 1.00 54.32 H new ATOM 0 HB3 GLU A 54 8.961 8.844 11.117 1.00 54.32 H new ATOM 0 HG2 GLU A 54 7.646 6.674 12.796 1.00 52.11 H new ATOM 0 HG3 GLU A 54 9.289 7.259 12.970 1.00 52.11 H new ATOM 873 N PHE A 55 6.175 9.604 8.628 1.00 11.03 N ATOM 874 CA PHE A 55 6.202 9.953 7.201 1.00 55.51 C ATOM 875 C PHE A 55 7.465 10.804 6.877 1.00 70.34 C ATOM 876 O PHE A 55 7.393 12.018 6.646 1.00 72.31 O ATOM 877 CB PHE A 55 4.881 10.675 6.804 1.00 54.12 C ATOM 878 CG PHE A 55 4.595 10.642 5.305 1.00 31.10 C ATOM 879 CD1 PHE A 55 4.207 9.453 4.695 1.00 72.53 C ATOM 880 CD2 PHE A 55 4.716 11.777 4.507 1.00 1.31 C ATOM 881 CE1 PHE A 55 3.946 9.394 3.341 1.00 52.42 C ATOM 882 CE2 PHE A 55 4.454 11.719 3.151 1.00 71.53 C ATOM 883 CZ PHE A 55 4.068 10.528 2.570 1.00 23.55 C ATOM 0 H PHE A 55 5.502 10.144 9.172 1.00 11.03 H new ATOM 0 HA PHE A 55 6.268 9.044 6.603 1.00 55.51 H new ATOM 0 HB2 PHE A 55 4.049 10.211 7.335 1.00 54.12 H new ATOM 0 HB3 PHE A 55 4.930 11.713 7.134 1.00 54.12 H new ATOM 0 HD1 PHE A 55 4.108 8.559 5.293 1.00 72.53 H new ATOM 0 HD2 PHE A 55 5.018 12.713 4.953 1.00 1.31 H new ATOM 0 HE1 PHE A 55 3.647 8.461 2.887 1.00 52.42 H new ATOM 0 HE2 PHE A 55 4.552 12.608 2.545 1.00 71.53 H new ATOM 0 HZ PHE A 55 3.862 10.486 1.511 1.00 23.55 H new ATOM 893 N THR A 56 8.632 10.134 6.918 1.00 62.55 N ATOM 894 CA THR A 56 9.946 10.724 6.574 1.00 10.22 C ATOM 895 C THR A 56 10.868 9.663 5.921 1.00 54.25 C ATOM 896 O THR A 56 10.659 8.457 6.094 1.00 4.31 O ATOM 897 CB THR A 56 10.652 11.328 7.837 1.00 33.12 C ATOM 898 OG1 THR A 56 11.937 11.874 7.478 1.00 15.41 O ATOM 899 CG2 THR A 56 10.820 10.284 8.962 1.00 43.24 C ATOM 0 H THR A 56 8.693 9.154 7.194 1.00 62.55 H new ATOM 0 HA THR A 56 9.764 11.529 5.862 1.00 10.22 H new ATOM 0 HB THR A 56 10.011 12.124 8.217 1.00 33.12 H new ATOM 0 HG1 THR A 56 12.367 12.250 8.275 1.00 15.41 H new ATOM 0 HG21 THR A 56 11.313 10.746 9.817 1.00 43.24 H new ATOM 0 HG22 THR A 56 9.840 9.915 9.265 1.00 43.24 H new ATOM 0 HG23 THR A 56 11.425 9.453 8.600 1.00 43.24 H new ATOM 907 N VAL A 57 11.887 10.132 5.175 1.00 31.11 N ATOM 908 CA VAL A 57 12.888 9.258 4.516 1.00 54.32 C ATOM 909 C VAL A 57 13.780 8.555 5.580 1.00 44.40 C ATOM 910 O VAL A 57 14.497 9.213 6.346 1.00 24.14 O ATOM 911 CB VAL A 57 13.771 10.085 3.502 1.00 43.12 C ATOM 912 CG1 VAL A 57 14.938 9.241 2.932 1.00 15.03 C ATOM 913 CG2 VAL A 57 12.894 10.668 2.359 1.00 42.23 C ATOM 0 H VAL A 57 12.043 11.126 5.010 1.00 31.11 H new ATOM 0 HA VAL A 57 12.357 8.491 3.953 1.00 54.32 H new ATOM 0 HB VAL A 57 14.214 10.915 4.053 1.00 43.12 H new ATOM 0 HG11 VAL A 57 15.521 9.847 2.239 1.00 15.03 H new ATOM 0 HG12 VAL A 57 15.578 8.907 3.749 1.00 15.03 H new ATOM 0 HG13 VAL A 57 14.537 8.374 2.407 1.00 15.03 H new ATOM 0 HG21 VAL A 57 13.522 11.234 1.671 1.00 42.23 H new ATOM 0 HG22 VAL A 57 12.409 9.853 1.821 1.00 42.23 H new ATOM 0 HG23 VAL A 57 12.135 11.326 2.782 1.00 42.23 H new ATOM 923 N GLY A 58 13.710 7.211 5.618 1.00 13.34 N ATOM 924 CA GLY A 58 14.406 6.400 6.633 1.00 54.34 C ATOM 925 C GLY A 58 13.562 6.128 7.888 1.00 14.11 C ATOM 926 O GLY A 58 14.041 5.486 8.833 1.00 1.23 O ATOM 0 H GLY A 58 13.172 6.660 4.949 1.00 13.34 H new ATOM 0 HA2 GLY A 58 14.698 5.449 6.188 1.00 54.34 H new ATOM 0 HA3 GLY A 58 15.324 6.909 6.926 1.00 54.34 H new ATOM 930 N GLY A 59 12.305 6.624 7.898 1.00 70.30 N ATOM 931 CA GLY A 59 11.371 6.410 9.018 1.00 31.11 C ATOM 932 C GLY A 59 10.523 5.144 8.860 1.00 54.54 C ATOM 933 O GLY A 59 10.407 4.605 7.758 1.00 12.53 O ATOM 0 H GLY A 59 11.915 7.179 7.136 1.00 70.30 H new ATOM 0 HA2 GLY A 59 11.936 6.348 9.948 1.00 31.11 H new ATOM 0 HA3 GLY A 59 10.711 7.274 9.103 1.00 31.11 H new ATOM 937 N LYS A 60 9.923 4.669 9.969 1.00 45.15 N ATOM 938 CA LYS A 60 9.070 3.452 9.984 1.00 44.32 C ATOM 939 C LYS A 60 7.641 3.743 10.489 1.00 54.53 C ATOM 940 O LYS A 60 7.330 4.838 10.957 1.00 11.44 O ATOM 941 CB LYS A 60 9.699 2.328 10.866 1.00 13.23 C ATOM 942 CG LYS A 60 10.981 1.679 10.290 1.00 71.04 C ATOM 943 CD LYS A 60 11.309 0.321 10.967 1.00 61.52 C ATOM 944 CE LYS A 60 12.581 -0.339 10.409 1.00 41.45 C ATOM 945 NZ LYS A 60 13.800 0.453 10.707 1.00 74.21 N ATOM 0 H LYS A 60 10.013 5.114 10.882 1.00 45.15 H new ATOM 0 HA LYS A 60 9.010 3.115 8.949 1.00 44.32 H new ATOM 0 HB2 LYS A 60 9.931 2.744 11.846 1.00 13.23 H new ATOM 0 HB3 LYS A 60 8.953 1.548 11.019 1.00 13.23 H new ATOM 0 HG2 LYS A 60 10.859 1.528 9.218 1.00 71.04 H new ATOM 0 HG3 LYS A 60 11.821 2.361 10.422 1.00 71.04 H new ATOM 0 HD2 LYS A 60 11.428 0.476 12.039 1.00 61.52 H new ATOM 0 HD3 LYS A 60 10.466 -0.358 10.834 1.00 61.52 H new ATOM 0 HE2 LYS A 60 12.686 -1.338 10.833 1.00 41.45 H new ATOM 0 HE3 LYS A 60 12.483 -0.459 9.330 1.00 41.45 H new ATOM 0 HZ1 LYS A 60 14.638 -0.054 10.357 1.00 74.21 H new ATOM 0 HZ2 LYS A 60 13.735 1.379 10.239 1.00 74.21 H new ATOM 0 HZ3 LYS A 60 13.883 0.590 11.735 1.00 74.21 H new ATOM 959 N ALA A 61 6.785 2.716 10.394 1.00 14.23 N ATOM 960 CA ALA A 61 5.415 2.733 10.947 1.00 44.02 C ATOM 961 C ALA A 61 5.116 1.394 11.647 1.00 20.35 C ATOM 962 O ALA A 61 5.584 0.349 11.210 1.00 14.51 O ATOM 963 CB ALA A 61 4.382 3.017 9.839 1.00 2.03 C ATOM 0 H ALA A 61 7.022 1.840 9.928 1.00 14.23 H new ATOM 0 HA ALA A 61 5.343 3.535 11.682 1.00 44.02 H new ATOM 0 HB1 ALA A 61 3.380 3.025 10.269 1.00 2.03 H new ATOM 0 HB2 ALA A 61 4.591 3.987 9.387 1.00 2.03 H new ATOM 0 HB3 ALA A 61 4.444 2.241 9.077 1.00 2.03 H new ATOM 969 N ALA A 62 4.355 1.445 12.750 1.00 31.14 N ATOM 970 CA ALA A 62 3.895 0.240 13.477 1.00 32.12 C ATOM 971 C ALA A 62 2.368 0.237 13.500 1.00 51.41 C ATOM 972 O ALA A 62 1.757 1.233 13.894 1.00 61.41 O ATOM 973 CB ALA A 62 4.448 0.205 14.909 1.00 12.12 C ATOM 0 H ALA A 62 4.038 2.320 13.168 1.00 31.14 H new ATOM 0 HA ALA A 62 4.265 -0.647 12.963 1.00 32.12 H new ATOM 0 HB1 ALA A 62 4.091 -0.692 15.415 1.00 12.12 H new ATOM 0 HB2 ALA A 62 5.538 0.195 14.878 1.00 12.12 H new ATOM 0 HB3 ALA A 62 4.108 1.087 15.452 1.00 12.12 H new ATOM 979 N TYR A 63 1.764 -0.873 13.068 1.00 1.34 N ATOM 980 CA TYR A 63 0.301 -0.998 12.979 1.00 42.25 C ATOM 981 C TYR A 63 -0.154 -2.455 13.127 1.00 24.43 C ATOM 982 O TYR A 63 0.659 -3.374 13.213 1.00 4.24 O ATOM 983 CB TYR A 63 -0.215 -0.411 11.637 1.00 42.35 C ATOM 984 CG TYR A 63 0.309 -1.109 10.368 1.00 2.23 C ATOM 985 CD1 TYR A 63 1.549 -0.772 9.820 1.00 23.33 C ATOM 986 CD2 TYR A 63 -0.444 -2.088 9.713 1.00 2.42 C ATOM 987 CE1 TYR A 63 2.007 -1.376 8.670 1.00 54.31 C ATOM 988 CE2 TYR A 63 0.021 -2.699 8.567 1.00 2.53 C ATOM 989 CZ TYR A 63 1.244 -2.340 8.048 1.00 13.25 C ATOM 990 OH TYR A 63 1.694 -2.937 6.889 1.00 54.04 O ATOM 0 H TYR A 63 2.269 -1.708 12.771 1.00 1.34 H new ATOM 0 HA TYR A 63 -0.126 -0.429 13.805 1.00 42.25 H new ATOM 0 HB2 TYR A 63 -1.304 -0.458 11.634 1.00 42.35 H new ATOM 0 HB3 TYR A 63 0.059 0.643 11.591 1.00 42.35 H new ATOM 0 HD1 TYR A 63 2.159 -0.025 10.306 1.00 23.33 H new ATOM 0 HD2 TYR A 63 -1.407 -2.371 10.111 1.00 2.42 H new ATOM 0 HE1 TYR A 63 2.964 -1.094 8.256 1.00 54.31 H new ATOM 0 HE2 TYR A 63 -0.573 -3.457 8.078 1.00 2.53 H new ATOM 0 HH TYR A 63 2.641 -2.723 6.757 1.00 54.04 H new ATOM 1000 N TYR A 64 -1.476 -2.627 13.172 1.00 20.52 N ATOM 1001 CA TYR A 64 -2.132 -3.941 13.170 1.00 43.02 C ATOM 1002 C TYR A 64 -3.542 -3.813 12.557 1.00 33.12 C ATOM 1003 O TYR A 64 -4.268 -2.860 12.860 1.00 43.04 O ATOM 1004 CB TYR A 64 -2.192 -4.525 14.616 1.00 42.52 C ATOM 1005 CG TYR A 64 -2.727 -3.544 15.681 1.00 4.51 C ATOM 1006 CD1 TYR A 64 -1.869 -2.667 16.348 1.00 53.12 C ATOM 1007 CD2 TYR A 64 -4.086 -3.482 16.001 1.00 32.34 C ATOM 1008 CE1 TYR A 64 -2.344 -1.780 17.285 1.00 62.33 C ATOM 1009 CE2 TYR A 64 -4.564 -2.586 16.940 1.00 53.42 C ATOM 1010 CZ TYR A 64 -3.687 -1.737 17.580 1.00 43.03 C ATOM 1011 OH TYR A 64 -4.151 -0.824 18.512 1.00 42.35 O ATOM 0 H TYR A 64 -2.133 -1.848 13.211 1.00 20.52 H new ATOM 0 HA TYR A 64 -1.551 -4.634 12.561 1.00 43.02 H new ATOM 0 HB2 TYR A 64 -2.823 -5.414 14.609 1.00 42.52 H new ATOM 0 HB3 TYR A 64 -1.192 -4.846 14.906 1.00 42.52 H new ATOM 0 HD1 TYR A 64 -0.813 -2.686 16.124 1.00 53.12 H new ATOM 0 HD2 TYR A 64 -4.777 -4.147 15.505 1.00 32.34 H new ATOM 0 HE1 TYR A 64 -1.660 -1.115 17.791 1.00 62.33 H new ATOM 0 HE2 TYR A 64 -5.619 -2.552 17.170 1.00 53.42 H new ATOM 0 HH TYR A 64 -3.439 -0.185 18.726 1.00 42.35 H new ATOM 1021 N MET A 65 -3.914 -4.761 11.689 1.00 2.32 N ATOM 1022 CA MET A 65 -5.272 -4.835 11.128 1.00 60.52 C ATOM 1023 C MET A 65 -6.192 -5.588 12.104 1.00 30.22 C ATOM 1024 O MET A 65 -6.134 -6.813 12.198 1.00 32.13 O ATOM 1025 CB MET A 65 -5.257 -5.519 9.728 1.00 43.32 C ATOM 1026 CG MET A 65 -4.653 -4.659 8.601 1.00 72.35 C ATOM 1027 SD MET A 65 -2.885 -4.342 8.800 1.00 10.34 S ATOM 1028 CE MET A 65 -2.171 -5.937 8.390 1.00 10.12 C ATOM 0 H MET A 65 -3.288 -5.495 11.356 1.00 2.32 H new ATOM 0 HA MET A 65 -5.657 -3.824 10.993 1.00 60.52 H new ATOM 0 HB2 MET A 65 -4.694 -6.450 9.799 1.00 43.32 H new ATOM 0 HB3 MET A 65 -6.279 -5.785 9.457 1.00 43.32 H new ATOM 0 HG2 MET A 65 -4.819 -5.158 7.646 1.00 72.35 H new ATOM 0 HG3 MET A 65 -5.182 -3.707 8.559 1.00 72.35 H new ATOM 0 HE1 MET A 65 -1.084 -5.868 8.421 1.00 10.12 H new ATOM 0 HE2 MET A 65 -2.507 -6.682 9.111 1.00 10.12 H new ATOM 0 HE3 MET A 65 -2.488 -6.231 7.389 1.00 10.12 H new ATOM 1038 N THR A 66 -7.017 -4.835 12.854 1.00 44.21 N ATOM 1039 CA THR A 66 -7.923 -5.405 13.869 1.00 34.20 C ATOM 1040 C THR A 66 -9.063 -6.193 13.189 1.00 11.40 C ATOM 1041 O THR A 66 -10.041 -5.610 12.717 1.00 60.13 O ATOM 1042 CB THR A 66 -8.510 -4.298 14.812 1.00 73.33 C ATOM 1043 OG1 THR A 66 -7.438 -3.542 15.401 1.00 35.40 O ATOM 1044 CG2 THR A 66 -9.382 -4.888 15.944 1.00 54.13 C ATOM 0 H THR A 66 -7.075 -3.820 12.775 1.00 44.21 H new ATOM 0 HA THR A 66 -7.339 -6.087 14.487 1.00 34.20 H new ATOM 0 HB THR A 66 -9.143 -3.658 14.197 1.00 73.33 H new ATOM 0 HG1 THR A 66 -7.809 -2.851 15.988 1.00 35.40 H new ATOM 0 HG21 THR A 66 -9.764 -4.080 16.568 1.00 54.13 H new ATOM 0 HG22 THR A 66 -10.218 -5.438 15.511 1.00 54.13 H new ATOM 0 HG23 THR A 66 -8.780 -5.563 16.553 1.00 54.13 H new ATOM 1052 N GLY A 67 -8.889 -7.528 13.126 1.00 72.45 N ATOM 1053 CA GLY A 67 -9.834 -8.423 12.443 1.00 23.12 C ATOM 1054 C GLY A 67 -11.239 -8.477 13.050 1.00 34.02 C ATOM 1055 O GLY A 67 -11.476 -7.900 14.117 1.00 1.43 O ATOM 0 H GLY A 67 -8.094 -8.010 13.545 1.00 72.45 H new ATOM 0 HA2 GLY A 67 -9.917 -8.110 11.402 1.00 23.12 H new ATOM 0 HA3 GLY A 67 -9.418 -9.430 12.441 1.00 23.12 H new ATOM 1059 N PRO A 68 -12.200 -9.206 12.402 1.00 33.02 N ATOM 1060 CA PRO A 68 -13.617 -9.271 12.867 1.00 24.41 C ATOM 1061 C PRO A 68 -13.788 -10.066 14.197 1.00 20.33 C ATOM 1062 O PRO A 68 -14.835 -9.988 14.850 1.00 74.31 O ATOM 1063 CB PRO A 68 -14.339 -9.954 11.674 1.00 34.21 C ATOM 1064 CG PRO A 68 -13.278 -10.801 11.025 1.00 63.11 C ATOM 1065 CD PRO A 68 -11.982 -10.034 11.174 1.00 12.05 C ATOM 0 HA PRO A 68 -14.023 -8.290 13.112 1.00 24.41 H new ATOM 0 HB2 PRO A 68 -15.179 -10.561 12.013 1.00 34.21 H new ATOM 0 HB3 PRO A 68 -14.739 -9.217 10.978 1.00 34.21 H new ATOM 0 HG2 PRO A 68 -13.211 -11.777 11.505 1.00 63.11 H new ATOM 0 HG3 PRO A 68 -13.508 -10.977 9.974 1.00 63.11 H new ATOM 0 HD2 PRO A 68 -11.131 -10.705 11.289 1.00 12.05 H new ATOM 0 HD3 PRO A 68 -11.782 -9.412 10.302 1.00 12.05 H new ATOM 1073 N ASP A 69 -12.742 -10.824 14.574 1.00 10.24 N ATOM 1074 CA ASP A 69 -12.681 -11.589 15.846 1.00 50.30 C ATOM 1075 C ASP A 69 -11.819 -10.855 16.912 1.00 72.44 C ATOM 1076 O ASP A 69 -11.652 -11.348 18.036 1.00 20.21 O ATOM 1077 CB ASP A 69 -12.088 -12.989 15.556 1.00 4.11 C ATOM 1078 CG ASP A 69 -12.834 -13.710 14.426 1.00 73.12 C ATOM 1079 OD1 ASP A 69 -13.826 -14.413 14.702 1.00 43.53 O ATOM 1080 OD2 ASP A 69 -12.440 -13.561 13.247 1.00 23.20 O ATOM 0 H ASP A 69 -11.904 -10.928 14.002 1.00 10.24 H new ATOM 0 HA ASP A 69 -13.690 -11.682 16.249 1.00 50.30 H new ATOM 0 HB2 ASP A 69 -11.036 -12.888 15.289 1.00 4.11 H new ATOM 0 HB3 ASP A 69 -12.130 -13.594 16.461 1.00 4.11 H new ATOM 1085 N GLY A 70 -11.288 -9.671 16.539 1.00 23.52 N ATOM 1086 CA GLY A 70 -10.321 -8.932 17.370 1.00 63.23 C ATOM 1087 C GLY A 70 -8.913 -9.535 17.346 1.00 31.22 C ATOM 1088 O GLY A 70 -8.108 -9.279 18.247 1.00 74.30 O ATOM 0 H GLY A 70 -11.517 -9.206 15.660 1.00 23.52 H new ATOM 0 HA2 GLY A 70 -10.272 -7.899 17.026 1.00 63.23 H new ATOM 0 HA3 GLY A 70 -10.681 -8.908 18.399 1.00 63.23 H new ATOM 1092 N THR A 71 -8.614 -10.308 16.283 1.00 14.34 N ATOM 1093 CA THR A 71 -7.345 -11.070 16.148 1.00 62.03 C ATOM 1094 C THR A 71 -6.099 -10.147 16.046 1.00 13.33 C ATOM 1095 O THR A 71 -5.080 -10.408 16.698 1.00 54.42 O ATOM 1096 CB THR A 71 -7.386 -12.021 14.903 1.00 1.01 C ATOM 1097 OG1 THR A 71 -8.562 -12.848 14.956 1.00 44.12 O ATOM 1098 CG2 THR A 71 -6.131 -12.919 14.807 1.00 12.43 C ATOM 0 H THR A 71 -9.244 -10.425 15.489 1.00 14.34 H new ATOM 0 HA THR A 71 -7.253 -11.662 17.059 1.00 62.03 H new ATOM 0 HB THR A 71 -7.410 -11.388 14.016 1.00 1.01 H new ATOM 0 HG1 THR A 71 -8.582 -13.439 14.174 1.00 44.12 H new ATOM 0 HG21 THR A 71 -6.208 -13.559 13.928 1.00 12.43 H new ATOM 0 HG22 THR A 71 -5.242 -12.294 14.724 1.00 12.43 H new ATOM 0 HG23 THR A 71 -6.057 -13.538 15.701 1.00 12.43 H new ATOM 1106 N LYS A 72 -6.209 -9.070 15.230 1.00 71.22 N ATOM 1107 CA LYS A 72 -5.129 -8.067 15.006 1.00 3.11 C ATOM 1108 C LYS A 72 -3.889 -8.669 14.286 1.00 43.24 C ATOM 1109 O LYS A 72 -3.088 -9.379 14.896 1.00 34.22 O ATOM 1110 CB LYS A 72 -4.721 -7.360 16.337 1.00 54.15 C ATOM 1111 CG LYS A 72 -5.860 -6.551 16.989 1.00 71.33 C ATOM 1112 CD LYS A 72 -5.491 -5.996 18.381 1.00 34.31 C ATOM 1113 CE LYS A 72 -6.619 -5.136 18.974 1.00 54.40 C ATOM 1114 NZ LYS A 72 -6.285 -4.632 20.325 1.00 65.41 N ATOM 0 H LYS A 72 -7.058 -8.868 14.702 1.00 71.22 H new ATOM 0 HA LYS A 72 -5.544 -7.314 14.336 1.00 3.11 H new ATOM 0 HB2 LYS A 72 -4.372 -8.112 17.044 1.00 54.15 H new ATOM 0 HB3 LYS A 72 -3.881 -6.693 16.140 1.00 54.15 H new ATOM 0 HG2 LYS A 72 -6.129 -5.722 16.334 1.00 71.33 H new ATOM 0 HG3 LYS A 72 -6.742 -7.185 17.080 1.00 71.33 H new ATOM 0 HD2 LYS A 72 -5.273 -6.824 19.056 1.00 34.31 H new ATOM 0 HD3 LYS A 72 -4.582 -5.399 18.304 1.00 34.31 H new ATOM 0 HE2 LYS A 72 -6.817 -4.293 18.312 1.00 54.40 H new ATOM 0 HE3 LYS A 72 -7.535 -5.725 19.024 1.00 54.40 H new ATOM 0 HZ1 LYS A 72 -7.073 -4.058 20.686 1.00 65.41 H new ATOM 0 HZ2 LYS A 72 -6.121 -5.436 20.965 1.00 65.41 H new ATOM 0 HZ3 LYS A 72 -5.426 -4.048 20.275 1.00 65.41 H new ATOM 1128 N ALA A 73 -3.750 -8.373 12.980 1.00 24.33 N ATOM 1129 CA ALA A 73 -2.596 -8.816 12.162 1.00 61.33 C ATOM 1130 C ALA A 73 -1.515 -7.715 12.146 1.00 51.13 C ATOM 1131 O ALA A 73 -1.670 -6.701 11.462 1.00 3.33 O ATOM 1132 CB ALA A 73 -3.046 -9.166 10.733 1.00 31.42 C ATOM 0 H ALA A 73 -4.431 -7.821 12.459 1.00 24.33 H new ATOM 0 HA ALA A 73 -2.171 -9.716 12.606 1.00 61.33 H new ATOM 0 HB1 ALA A 73 -2.184 -9.489 10.149 1.00 31.42 H new ATOM 0 HB2 ALA A 73 -3.781 -9.970 10.770 1.00 31.42 H new ATOM 0 HB3 ALA A 73 -3.492 -8.288 10.267 1.00 31.42 H new ATOM 1138 N ARG A 74 -0.439 -7.916 12.912 1.00 25.20 N ATOM 1139 CA ARG A 74 0.634 -6.912 13.085 1.00 2.25 C ATOM 1140 C ARG A 74 1.450 -6.712 11.772 1.00 51.41 C ATOM 1141 O ARG A 74 1.730 -7.672 11.050 1.00 34.10 O ATOM 1142 CB ARG A 74 1.573 -7.358 14.239 1.00 65.02 C ATOM 1143 CG ARG A 74 2.568 -6.283 14.752 1.00 25.34 C ATOM 1144 CD ARG A 74 1.894 -5.196 15.611 1.00 14.12 C ATOM 1145 NE ARG A 74 1.149 -5.772 16.746 1.00 34.23 N ATOM 1146 CZ ARG A 74 0.660 -5.102 17.763 1.00 0.03 C ATOM 1147 NH1 ARG A 74 0.862 -3.828 17.900 1.00 30.42 N ATOM 1148 NH2 ARG A 74 -0.018 -5.732 18.661 1.00 62.45 N ATOM 0 H ARG A 74 -0.280 -8.778 13.434 1.00 25.20 H new ATOM 0 HA ARG A 74 0.174 -5.955 13.332 1.00 2.25 H new ATOM 0 HB2 ARG A 74 0.958 -7.686 15.077 1.00 65.02 H new ATOM 0 HB3 ARG A 74 2.144 -8.224 13.904 1.00 65.02 H new ATOM 0 HG2 ARG A 74 3.348 -6.769 15.338 1.00 25.34 H new ATOM 0 HG3 ARG A 74 3.057 -5.812 13.899 1.00 25.34 H new ATOM 0 HD2 ARG A 74 2.652 -4.509 15.986 1.00 14.12 H new ATOM 0 HD3 ARG A 74 1.214 -4.613 14.990 1.00 14.12 H new ATOM 0 HE ARG A 74 1.001 -6.781 16.740 1.00 34.23 H new ATOM 0 HH11 ARG A 74 1.413 -3.322 17.207 1.00 30.42 H new ATOM 0 HH12 ARG A 74 0.470 -3.333 18.701 1.00 30.42 H new ATOM 0 HH21 ARG A 74 -0.168 -6.737 18.575 1.00 62.45 H new ATOM 0 HH22 ARG A 74 -0.404 -5.225 19.457 1.00 62.45 H new ATOM 1162 N GLY A 75 1.797 -5.455 11.468 1.00 74.21 N ATOM 1163 CA GLY A 75 2.665 -5.118 10.330 1.00 75.31 C ATOM 1164 C GLY A 75 3.535 -3.892 10.602 1.00 33.44 C ATOM 1165 O GLY A 75 3.308 -3.155 11.575 1.00 50.45 O ATOM 0 H GLY A 75 1.485 -4.644 12.002 1.00 74.21 H new ATOM 0 HA2 GLY A 75 3.305 -5.970 10.100 1.00 75.31 H new ATOM 0 HA3 GLY A 75 2.050 -4.935 9.449 1.00 75.31 H new ATOM 1169 N TRP A 76 4.532 -3.668 9.730 1.00 64.32 N ATOM 1170 CA TRP A 76 5.460 -2.514 9.817 1.00 64.10 C ATOM 1171 C TRP A 76 5.709 -1.901 8.418 1.00 23.43 C ATOM 1172 O TRP A 76 5.648 -2.596 7.410 1.00 53.03 O ATOM 1173 CB TRP A 76 6.813 -2.962 10.450 1.00 50.43 C ATOM 1174 CG TRP A 76 7.568 -3.989 9.627 1.00 1.20 C ATOM 1175 CD1 TRP A 76 7.335 -5.332 9.577 1.00 42.00 C ATOM 1176 CD2 TRP A 76 8.664 -3.746 8.724 1.00 73.41 C ATOM 1177 NE1 TRP A 76 8.186 -5.931 8.692 1.00 41.25 N ATOM 1178 CE2 TRP A 76 9.021 -4.984 8.166 1.00 12.14 C ATOM 1179 CE3 TRP A 76 9.377 -2.607 8.342 1.00 10.25 C ATOM 1180 CZ2 TRP A 76 10.042 -5.115 7.236 1.00 22.33 C ATOM 1181 CZ3 TRP A 76 10.398 -2.739 7.419 1.00 11.31 C ATOM 1182 CH2 TRP A 76 10.726 -3.989 6.879 1.00 24.22 C ATOM 0 H TRP A 76 4.723 -4.282 8.938 1.00 64.32 H new ATOM 0 HA TRP A 76 5.002 -1.754 10.450 1.00 64.10 H new ATOM 0 HB2 TRP A 76 7.446 -2.085 10.588 1.00 50.43 H new ATOM 0 HB3 TRP A 76 6.620 -3.375 11.440 1.00 50.43 H new ATOM 0 HD1 TRP A 76 6.584 -5.849 10.156 1.00 42.00 H new ATOM 0 HE1 TRP A 76 8.197 -6.924 8.461 1.00 41.25 H new ATOM 0 HE3 TRP A 76 9.135 -1.641 8.760 1.00 10.25 H new ATOM 0 HZ2 TRP A 76 10.288 -6.076 6.809 1.00 22.33 H new ATOM 0 HZ3 TRP A 76 10.951 -1.865 7.110 1.00 11.31 H new ATOM 0 HH2 TRP A 76 11.535 -4.063 6.167 1.00 24.22 H new ATOM 1193 N TRP A 77 5.984 -0.594 8.369 1.00 64.34 N ATOM 1194 CA TRP A 77 6.467 0.093 7.139 1.00 55.55 C ATOM 1195 C TRP A 77 7.911 0.580 7.328 1.00 43.32 C ATOM 1196 O TRP A 77 8.407 0.659 8.451 1.00 2.14 O ATOM 1197 CB TRP A 77 5.569 1.312 6.774 1.00 12.42 C ATOM 1198 CG TRP A 77 4.287 0.999 6.036 1.00 54.04 C ATOM 1199 CD1 TRP A 77 3.621 -0.187 5.959 1.00 41.23 C ATOM 1200 CD2 TRP A 77 3.535 1.922 5.250 1.00 51.13 C ATOM 1201 NE1 TRP A 77 2.492 -0.046 5.199 1.00 31.33 N ATOM 1202 CE2 TRP A 77 2.423 1.245 4.746 1.00 34.23 C ATOM 1203 CE3 TRP A 77 3.703 3.264 4.935 1.00 40.30 C ATOM 1204 CZ2 TRP A 77 1.485 1.875 3.937 1.00 51.45 C ATOM 1205 CZ3 TRP A 77 2.779 3.886 4.130 1.00 20.23 C ATOM 1206 CH2 TRP A 77 1.680 3.190 3.640 1.00 22.32 C ATOM 0 H TRP A 77 5.883 0.027 9.172 1.00 64.34 H new ATOM 0 HA TRP A 77 6.422 -0.633 6.327 1.00 55.55 H new ATOM 0 HB2 TRP A 77 5.315 1.838 7.694 1.00 12.42 H new ATOM 0 HB3 TRP A 77 6.156 2.000 6.165 1.00 12.42 H new ATOM 0 HD1 TRP A 77 3.938 -1.106 6.430 1.00 41.23 H new ATOM 0 HE1 TRP A 77 1.813 -0.781 5.002 1.00 31.33 H new ATOM 0 HE3 TRP A 77 4.550 3.813 5.318 1.00 40.30 H new ATOM 0 HZ2 TRP A 77 0.628 1.339 3.556 1.00 51.45 H new ATOM 0 HZ3 TRP A 77 2.908 4.928 3.875 1.00 20.23 H new ATOM 0 HH2 TRP A 77 0.967 3.702 3.011 1.00 22.32 H new ATOM 1217 N GLN A 78 8.576 0.893 6.206 1.00 75.23 N ATOM 1218 CA GLN A 78 9.816 1.688 6.208 1.00 45.00 C ATOM 1219 C GLN A 78 9.945 2.466 4.888 1.00 32.33 C ATOM 1220 O GLN A 78 10.067 1.875 3.814 1.00 64.23 O ATOM 1221 CB GLN A 78 11.079 0.822 6.462 1.00 45.20 C ATOM 1222 CG GLN A 78 12.385 1.649 6.548 1.00 12.24 C ATOM 1223 CD GLN A 78 13.605 0.862 7.031 1.00 42.45 C ATOM 1224 OE1 GLN A 78 13.713 -0.342 6.835 1.00 10.21 O ATOM 1225 NE2 GLN A 78 14.541 1.547 7.664 1.00 64.33 N ATOM 0 H GLN A 78 8.273 0.605 5.276 1.00 75.23 H new ATOM 0 HA GLN A 78 9.750 2.393 7.037 1.00 45.00 H new ATOM 0 HB2 GLN A 78 10.948 0.266 7.390 1.00 45.20 H new ATOM 0 HB3 GLN A 78 11.174 0.088 5.661 1.00 45.20 H new ATOM 0 HG2 GLN A 78 12.603 2.064 5.564 1.00 12.24 H new ATOM 0 HG3 GLN A 78 12.223 2.492 7.220 1.00 12.24 H new ATOM 0 HE21 GLN A 78 14.426 2.549 7.814 1.00 64.33 H new ATOM 0 HE22 GLN A 78 15.379 1.073 8.003 1.00 64.33 H new ATOM 1234 N PHE A 79 9.886 3.800 4.987 1.00 73.02 N ATOM 1235 CA PHE A 79 10.017 4.706 3.836 1.00 61.04 C ATOM 1236 C PHE A 79 11.495 4.842 3.409 1.00 71.23 C ATOM 1237 O PHE A 79 12.371 5.037 4.253 1.00 12.21 O ATOM 1238 CB PHE A 79 9.452 6.098 4.192 1.00 71.24 C ATOM 1239 CG PHE A 79 8.006 6.087 4.687 1.00 64.43 C ATOM 1240 CD1 PHE A 79 6.940 6.189 3.798 1.00 61.02 C ATOM 1241 CD2 PHE A 79 7.717 5.991 6.048 1.00 22.43 C ATOM 1242 CE1 PHE A 79 5.638 6.201 4.254 1.00 52.14 C ATOM 1243 CE2 PHE A 79 6.414 6.004 6.502 1.00 32.01 C ATOM 1244 CZ PHE A 79 5.378 6.114 5.606 1.00 74.42 C ATOM 0 H PHE A 79 9.745 4.285 5.873 1.00 73.02 H new ATOM 0 HA PHE A 79 9.451 4.285 3.005 1.00 61.04 H new ATOM 0 HB2 PHE A 79 10.082 6.547 4.960 1.00 71.24 H new ATOM 0 HB3 PHE A 79 9.517 6.738 3.312 1.00 71.24 H new ATOM 0 HD1 PHE A 79 7.134 6.260 2.738 1.00 61.02 H new ATOM 0 HD2 PHE A 79 8.526 5.905 6.758 1.00 22.43 H new ATOM 0 HE1 PHE A 79 4.821 6.279 3.552 1.00 52.14 H new ATOM 0 HE2 PHE A 79 6.209 5.928 7.560 1.00 32.01 H new ATOM 0 HZ PHE A 79 4.358 6.132 5.961 1.00 74.42 H new ATOM 1254 N THR A 80 11.761 4.722 2.102 1.00 50.54 N ATOM 1255 CA THR A 80 13.111 4.943 1.523 1.00 21.24 C ATOM 1256 C THR A 80 13.163 6.271 0.740 1.00 73.30 C ATOM 1257 O THR A 80 14.194 6.944 0.704 1.00 44.22 O ATOM 1258 CB THR A 80 13.515 3.778 0.565 1.00 22.40 C ATOM 1259 OG1 THR A 80 12.632 3.744 -0.572 1.00 54.25 O ATOM 1260 CG2 THR A 80 13.481 2.412 1.279 1.00 15.14 C ATOM 0 H THR A 80 11.055 4.470 1.410 1.00 50.54 H new ATOM 0 HA THR A 80 13.813 4.982 2.356 1.00 21.24 H new ATOM 0 HB THR A 80 14.537 3.965 0.237 1.00 22.40 H new ATOM 0 HG1 THR A 80 12.985 3.122 -1.242 1.00 54.25 H new ATOM 0 HG21 THR A 80 13.768 1.628 0.578 1.00 15.14 H new ATOM 0 HG22 THR A 80 14.177 2.422 2.118 1.00 15.14 H new ATOM 0 HG23 THR A 80 12.473 2.219 1.647 1.00 15.14 H new ATOM 1268 N THR A 81 12.027 6.635 0.123 1.00 72.04 N ATOM 1269 CA THR A 81 11.891 7.857 -0.704 1.00 31.53 C ATOM 1270 C THR A 81 10.518 8.508 -0.448 1.00 44.03 C ATOM 1271 O THR A 81 9.488 7.835 -0.502 1.00 44.32 O ATOM 1272 CB THR A 81 12.025 7.546 -2.240 1.00 43.42 C ATOM 1273 OG1 THR A 81 13.283 6.907 -2.520 1.00 30.24 O ATOM 1274 CG2 THR A 81 11.896 8.806 -3.119 1.00 75.43 C ATOM 0 H THR A 81 11.167 6.089 0.181 1.00 72.04 H new ATOM 0 HA THR A 81 12.697 8.534 -0.419 1.00 31.53 H new ATOM 0 HB THR A 81 11.200 6.878 -2.488 1.00 43.42 H new ATOM 0 HG1 THR A 81 13.193 6.343 -3.317 1.00 30.24 H new ATOM 0 HG21 THR A 81 11.997 8.529 -4.168 1.00 75.43 H new ATOM 0 HG22 THR A 81 10.921 9.265 -2.957 1.00 75.43 H new ATOM 0 HG23 THR A 81 12.679 9.516 -2.854 1.00 75.43 H new ATOM 1282 N ILE A 82 10.515 9.826 -0.188 1.00 14.02 N ATOM 1283 CA ILE A 82 9.292 10.627 -0.009 1.00 10.42 C ATOM 1284 C ILE A 82 9.528 11.939 -0.751 1.00 63.54 C ATOM 1285 O ILE A 82 10.154 12.874 -0.237 1.00 2.21 O ATOM 1286 CB ILE A 82 8.903 10.895 1.497 1.00 75.02 C ATOM 1287 CG1 ILE A 82 8.664 9.547 2.254 1.00 65.43 C ATOM 1288 CG2 ILE A 82 7.656 11.822 1.586 1.00 15.41 C ATOM 1289 CD1 ILE A 82 8.024 9.673 3.615 1.00 43.34 C ATOM 0 H ILE A 82 11.372 10.372 -0.095 1.00 14.02 H new ATOM 0 HA ILE A 82 8.444 10.069 -0.407 1.00 10.42 H new ATOM 0 HB ILE A 82 9.734 11.407 1.982 1.00 75.02 H new ATOM 0 HG12 ILE A 82 8.036 8.908 1.634 1.00 65.43 H new ATOM 0 HG13 ILE A 82 9.622 9.039 2.367 1.00 65.43 H new ATOM 0 HG21 ILE A 82 7.405 11.994 2.633 1.00 15.41 H new ATOM 0 HG22 ILE A 82 7.876 12.775 1.104 1.00 15.41 H new ATOM 0 HG23 ILE A 82 6.813 11.347 1.084 1.00 15.41 H new ATOM 0 HD11 ILE A 82 7.903 8.682 4.053 1.00 43.34 H new ATOM 0 HD12 ILE A 82 8.658 10.280 4.261 1.00 43.34 H new ATOM 0 HD13 ILE A 82 7.048 10.147 3.515 1.00 43.34 H new ATOM 1301 N GLU A 83 9.092 11.949 -2.001 1.00 72.32 N ATOM 1302 CA GLU A 83 9.436 12.997 -2.964 1.00 13.14 C ATOM 1303 C GLU A 83 8.282 14.018 -3.077 1.00 50.42 C ATOM 1304 O GLU A 83 8.510 15.226 -2.946 1.00 54.35 O ATOM 1305 CB GLU A 83 9.790 12.288 -4.299 1.00 14.11 C ATOM 1306 CG GLU A 83 10.530 13.143 -5.352 1.00 11.11 C ATOM 1307 CD GLU A 83 9.603 13.789 -6.399 1.00 63.44 C ATOM 1308 OE1 GLU A 83 9.165 13.078 -7.331 1.00 52.15 O ATOM 1309 OE2 GLU A 83 9.317 14.999 -6.301 1.00 45.33 O ATOM 0 H GLU A 83 8.484 11.226 -2.384 1.00 72.32 H new ATOM 0 HA GLU A 83 10.299 13.583 -2.649 1.00 13.14 H new ATOM 0 HB2 GLU A 83 10.405 11.417 -4.072 1.00 14.11 H new ATOM 0 HB3 GLU A 83 8.867 11.918 -4.746 1.00 14.11 H new ATOM 0 HG2 GLU A 83 11.087 13.928 -4.841 1.00 11.11 H new ATOM 0 HG3 GLU A 83 11.260 12.517 -5.865 1.00 11.11 H new ATOM 1316 N ALA A 84 7.043 13.495 -3.275 1.00 3.44 N ATOM 1317 CA ALA A 84 5.776 14.284 -3.278 1.00 34.21 C ATOM 1318 C ALA A 84 5.634 15.265 -4.492 1.00 20.33 C ATOM 1319 O ALA A 84 6.627 15.809 -4.976 1.00 44.52 O ATOM 1320 CB ALA A 84 5.580 15.033 -1.930 1.00 62.15 C ATOM 0 H ALA A 84 6.891 12.500 -3.440 1.00 3.44 H new ATOM 0 HA ALA A 84 4.977 13.552 -3.397 1.00 34.21 H new ATOM 0 HB1 ALA A 84 4.649 15.599 -1.961 1.00 62.15 H new ATOM 0 HB2 ALA A 84 5.538 14.310 -1.115 1.00 62.15 H new ATOM 0 HB3 ALA A 84 6.415 15.715 -1.768 1.00 62.15 H new ATOM 1326 N PRO A 85 4.383 15.520 -5.010 1.00 11.24 N ATOM 1327 CA PRO A 85 3.116 14.888 -4.542 1.00 11.11 C ATOM 1328 C PRO A 85 2.759 13.580 -5.297 1.00 12.23 C ATOM 1329 O PRO A 85 1.677 13.033 -5.108 1.00 53.40 O ATOM 1330 CB PRO A 85 2.096 16.005 -4.850 1.00 25.12 C ATOM 1331 CG PRO A 85 2.587 16.604 -6.145 1.00 43.42 C ATOM 1332 CD PRO A 85 4.111 16.496 -6.108 1.00 44.51 C ATOM 0 HA PRO A 85 3.159 14.571 -3.500 1.00 11.11 H new ATOM 0 HB2 PRO A 85 1.087 15.606 -4.953 1.00 25.12 H new ATOM 0 HB3 PRO A 85 2.066 16.748 -4.053 1.00 25.12 H new ATOM 0 HG2 PRO A 85 2.179 16.069 -7.002 1.00 43.42 H new ATOM 0 HG3 PRO A 85 2.272 17.643 -6.239 1.00 43.42 H new ATOM 0 HD2 PRO A 85 4.509 16.145 -7.060 1.00 44.51 H new ATOM 0 HD3 PRO A 85 4.574 17.462 -5.906 1.00 44.51 H new ATOM 1340 N ASP A 86 3.686 13.090 -6.138 1.00 2.10 N ATOM 1341 CA ASP A 86 3.418 11.996 -7.099 1.00 21.33 C ATOM 1342 C ASP A 86 4.413 10.816 -6.972 1.00 54.10 C ATOM 1343 O ASP A 86 4.478 9.960 -7.865 1.00 52.32 O ATOM 1344 CB ASP A 86 3.466 12.596 -8.525 1.00 23.04 C ATOM 1345 CG ASP A 86 4.865 13.087 -8.938 1.00 4.02 C ATOM 1346 OD1 ASP A 86 5.419 13.965 -8.247 1.00 51.25 O ATOM 1347 OD2 ASP A 86 5.409 12.603 -9.957 1.00 1.35 O ATOM 0 H ASP A 86 4.644 13.439 -6.174 1.00 2.10 H new ATOM 0 HA ASP A 86 2.436 11.577 -6.880 1.00 21.33 H new ATOM 0 HB2 ASP A 86 3.128 11.844 -9.238 1.00 23.04 H new ATOM 0 HB3 ASP A 86 2.765 13.429 -8.584 1.00 23.04 H new ATOM 1352 N HIS A 87 5.168 10.755 -5.863 1.00 52.33 N ATOM 1353 CA HIS A 87 6.217 9.728 -5.684 1.00 70.32 C ATOM 1354 C HIS A 87 6.422 9.376 -4.193 1.00 24.25 C ATOM 1355 O HIS A 87 6.937 10.185 -3.408 1.00 43.02 O ATOM 1356 CB HIS A 87 7.542 10.209 -6.330 1.00 35.42 C ATOM 1357 CG HIS A 87 8.683 9.212 -6.338 1.00 44.42 C ATOM 1358 ND1 HIS A 87 9.946 9.543 -6.774 1.00 12.11 N ATOM 1359 CD2 HIS A 87 8.752 7.895 -5.987 1.00 20.23 C ATOM 1360 CE1 HIS A 87 10.736 8.490 -6.693 1.00 35.41 C ATOM 1361 NE2 HIS A 87 10.037 7.482 -6.222 1.00 0.34 N ATOM 0 H HIS A 87 5.075 11.400 -5.078 1.00 52.33 H new ATOM 0 HA HIS A 87 5.891 8.816 -6.185 1.00 70.32 H new ATOM 0 HB2 HIS A 87 7.335 10.501 -7.360 1.00 35.42 H new ATOM 0 HB3 HIS A 87 7.874 11.105 -5.805 1.00 35.42 H new ATOM 0 HD2 HIS A 87 7.945 7.292 -5.597 1.00 20.23 H new ATOM 0 HE1 HIS A 87 11.780 8.461 -6.967 1.00 35.41 H new ATOM 0 HE2 HIS A 87 10.394 6.541 -6.057 1.00 0.34 H new ATOM 1370 N LEU A 88 6.033 8.144 -3.842 1.00 71.12 N ATOM 1371 CA LEU A 88 6.249 7.546 -2.512 1.00 71.11 C ATOM 1372 C LEU A 88 6.906 6.168 -2.674 1.00 61.34 C ATOM 1373 O LEU A 88 6.589 5.437 -3.609 1.00 3.41 O ATOM 1374 CB LEU A 88 4.900 7.395 -1.761 1.00 54.22 C ATOM 1375 CG LEU A 88 4.977 6.840 -0.302 1.00 44.32 C ATOM 1376 CD1 LEU A 88 5.867 7.730 0.590 1.00 44.14 C ATOM 1377 CD2 LEU A 88 3.570 6.670 0.305 1.00 5.22 C ATOM 0 H LEU A 88 5.549 7.519 -4.486 1.00 71.12 H new ATOM 0 HA LEU A 88 6.901 8.199 -1.932 1.00 71.11 H new ATOM 0 HB2 LEU A 88 4.415 8.370 -1.731 1.00 54.22 H new ATOM 0 HB3 LEU A 88 4.256 6.736 -2.344 1.00 54.22 H new ATOM 0 HG LEU A 88 5.439 5.854 -0.348 1.00 44.32 H new ATOM 0 HD11 LEU A 88 5.900 7.317 1.598 1.00 44.14 H new ATOM 0 HD12 LEU A 88 6.876 7.764 0.179 1.00 44.14 H new ATOM 0 HD13 LEU A 88 5.455 8.738 0.624 1.00 44.14 H new ATOM 0 HD21 LEU A 88 3.656 6.282 1.320 1.00 5.22 H new ATOM 0 HD22 LEU A 88 3.064 7.635 0.327 1.00 5.22 H new ATOM 0 HD23 LEU A 88 2.994 5.972 -0.302 1.00 5.22 H new ATOM 1389 N GLU A 89 7.838 5.839 -1.776 1.00 52.32 N ATOM 1390 CA GLU A 89 8.453 4.505 -1.685 1.00 65.20 C ATOM 1391 C GLU A 89 8.525 4.071 -0.213 1.00 24.20 C ATOM 1392 O GLU A 89 9.111 4.768 0.622 1.00 3.10 O ATOM 1393 CB GLU A 89 9.873 4.497 -2.301 1.00 2.10 C ATOM 1394 CG GLU A 89 9.921 4.614 -3.835 1.00 41.54 C ATOM 1395 CD GLU A 89 11.343 4.508 -4.404 1.00 61.03 C ATOM 1396 OE1 GLU A 89 11.966 3.437 -4.257 1.00 4.24 O ATOM 1397 OE2 GLU A 89 11.853 5.492 -4.987 1.00 22.12 O ATOM 0 H GLU A 89 8.193 6.497 -1.082 1.00 52.32 H new ATOM 0 HA GLU A 89 7.835 3.806 -2.248 1.00 65.20 H new ATOM 0 HB2 GLU A 89 10.443 5.321 -1.871 1.00 2.10 H new ATOM 0 HB3 GLU A 89 10.374 3.575 -2.007 1.00 2.10 H new ATOM 0 HG2 GLU A 89 9.302 3.831 -4.272 1.00 41.54 H new ATOM 0 HG3 GLU A 89 9.487 5.568 -4.134 1.00 41.54 H new ATOM 1404 N PHE A 90 7.937 2.911 0.075 1.00 51.25 N ATOM 1405 CA PHE A 90 7.953 2.290 1.407 1.00 73.21 C ATOM 1406 C PHE A 90 8.031 0.763 1.268 1.00 74.52 C ATOM 1407 O PHE A 90 7.931 0.219 0.165 1.00 1.42 O ATOM 1408 CB PHE A 90 6.696 2.701 2.229 1.00 30.42 C ATOM 1409 CG PHE A 90 5.357 2.267 1.614 1.00 14.14 C ATOM 1410 CD1 PHE A 90 4.792 1.020 1.906 1.00 63.03 C ATOM 1411 CD2 PHE A 90 4.669 3.100 0.736 1.00 14.02 C ATOM 1412 CE1 PHE A 90 3.591 0.631 1.349 1.00 75.42 C ATOM 1413 CE2 PHE A 90 3.469 2.709 0.181 1.00 13.55 C ATOM 1414 CZ PHE A 90 2.930 1.478 0.484 1.00 61.42 C ATOM 0 H PHE A 90 7.427 2.364 -0.619 1.00 51.25 H new ATOM 0 HA PHE A 90 8.833 2.643 1.945 1.00 73.21 H new ATOM 0 HB2 PHE A 90 6.777 2.274 3.229 1.00 30.42 H new ATOM 0 HB3 PHE A 90 6.693 3.785 2.345 1.00 30.42 H new ATOM 0 HD1 PHE A 90 5.306 0.350 2.580 1.00 63.03 H new ATOM 0 HD2 PHE A 90 5.081 4.066 0.486 1.00 14.02 H new ATOM 0 HE1 PHE A 90 3.170 -0.334 1.590 1.00 75.42 H new ATOM 0 HE2 PHE A 90 2.949 3.371 -0.495 1.00 13.55 H new ATOM 0 HZ PHE A 90 1.991 1.176 0.045 1.00 61.42 H new ATOM 1424 N ASP A 91 8.203 0.088 2.401 1.00 52.52 N ATOM 1425 CA ASP A 91 8.122 -1.372 2.487 1.00 44.41 C ATOM 1426 C ASP A 91 6.791 -1.769 3.142 1.00 35.03 C ATOM 1427 O ASP A 91 6.500 -1.310 4.249 1.00 53.24 O ATOM 1428 CB ASP A 91 9.329 -1.917 3.276 1.00 23.50 C ATOM 1429 CG ASP A 91 10.648 -1.605 2.554 1.00 11.24 C ATOM 1430 OD1 ASP A 91 10.921 -2.231 1.504 1.00 30.43 O ATOM 1431 OD2 ASP A 91 11.402 -0.714 3.001 1.00 14.32 O ATOM 0 H ASP A 91 8.404 0.539 3.293 1.00 52.52 H new ATOM 0 HA ASP A 91 8.154 -1.809 1.489 1.00 44.41 H new ATOM 0 HB2 ASP A 91 9.344 -1.477 4.273 1.00 23.50 H new ATOM 0 HB3 ASP A 91 9.227 -2.995 3.404 1.00 23.50 H new ATOM 1436 N ASP A 92 5.977 -2.569 2.420 1.00 40.42 N ATOM 1437 CA ASP A 92 4.645 -3.034 2.887 1.00 70.23 C ATOM 1438 C ASP A 92 4.746 -3.706 4.281 1.00 73.45 C ATOM 1439 O ASP A 92 3.995 -3.360 5.194 1.00 51.34 O ATOM 1440 CB ASP A 92 4.033 -4.015 1.855 1.00 62.25 C ATOM 1441 CG ASP A 92 3.930 -3.404 0.442 1.00 31.24 C ATOM 1442 OD1 ASP A 92 4.960 -3.379 -0.278 1.00 62.32 O ATOM 1443 OD2 ASP A 92 2.837 -2.935 0.058 1.00 63.11 O ATOM 0 H ASP A 92 6.223 -2.914 1.492 1.00 40.42 H new ATOM 0 HA ASP A 92 3.992 -2.166 2.981 1.00 70.23 H new ATOM 0 HB2 ASP A 92 4.642 -4.918 1.813 1.00 62.25 H new ATOM 0 HB3 ASP A 92 3.040 -4.316 2.190 1.00 62.25 H new ATOM 1448 N GLY A 93 5.673 -4.688 4.384 1.00 0.10 N ATOM 1449 CA GLY A 93 6.173 -5.220 5.667 1.00 22.24 C ATOM 1450 C GLY A 93 5.132 -5.866 6.607 1.00 2.21 C ATOM 1451 O GLY A 93 4.251 -5.188 7.147 1.00 64.30 O ATOM 0 H GLY A 93 6.096 -5.134 3.570 1.00 0.10 H new ATOM 0 HA2 GLY A 93 6.942 -5.962 5.450 1.00 22.24 H new ATOM 0 HA3 GLY A 93 6.658 -4.406 6.206 1.00 22.24 H new ATOM 1455 N PHE A 94 5.251 -7.180 6.832 1.00 51.02 N ATOM 1456 CA PHE A 94 4.451 -7.900 7.856 1.00 75.14 C ATOM 1457 C PHE A 94 5.297 -8.152 9.110 1.00 74.20 C ATOM 1458 O PHE A 94 6.502 -8.405 9.012 1.00 51.52 O ATOM 1459 CB PHE A 94 3.915 -9.232 7.294 1.00 74.42 C ATOM 1460 CG PHE A 94 2.863 -9.033 6.216 1.00 41.34 C ATOM 1461 CD1 PHE A 94 1.562 -8.676 6.569 1.00 11.14 C ATOM 1462 CD2 PHE A 94 3.171 -9.168 4.867 1.00 12.14 C ATOM 1463 CE1 PHE A 94 0.603 -8.466 5.605 1.00 44.12 C ATOM 1464 CE2 PHE A 94 2.212 -8.952 3.903 1.00 4.52 C ATOM 1465 CZ PHE A 94 0.928 -8.603 4.273 1.00 14.42 C ATOM 0 H PHE A 94 5.897 -7.779 6.319 1.00 51.02 H new ATOM 0 HA PHE A 94 3.599 -7.276 8.127 1.00 75.14 H new ATOM 0 HB2 PHE A 94 4.744 -9.809 6.884 1.00 74.42 H new ATOM 0 HB3 PHE A 94 3.489 -9.820 8.107 1.00 74.42 H new ATOM 0 HD1 PHE A 94 1.304 -8.563 7.612 1.00 11.14 H new ATOM 0 HD2 PHE A 94 4.172 -9.445 4.572 1.00 12.14 H new ATOM 0 HE1 PHE A 94 -0.402 -8.194 5.892 1.00 44.12 H new ATOM 0 HE2 PHE A 94 2.464 -9.055 2.858 1.00 4.52 H new ATOM 0 HZ PHE A 94 0.176 -8.437 3.516 1.00 14.42 H new ATOM 1475 N ALA A 95 4.651 -8.089 10.281 1.00 21.51 N ATOM 1476 CA ALA A 95 5.318 -8.260 11.584 1.00 25.33 C ATOM 1477 C ALA A 95 4.580 -9.288 12.458 1.00 71.10 C ATOM 1478 O ALA A 95 3.374 -9.506 12.319 1.00 25.02 O ATOM 1479 CB ALA A 95 5.415 -6.904 12.309 1.00 20.41 C ATOM 0 H ALA A 95 3.648 -7.918 10.355 1.00 21.51 H new ATOM 0 HA ALA A 95 6.324 -8.639 11.405 1.00 25.33 H new ATOM 0 HB1 ALA A 95 5.909 -7.040 13.271 1.00 20.41 H new ATOM 0 HB2 ALA A 95 5.991 -6.207 11.701 1.00 20.41 H new ATOM 0 HB3 ALA A 95 4.414 -6.505 12.469 1.00 20.41 H new ATOM 1485 N ASP A 96 5.341 -9.940 13.334 1.00 12.40 N ATOM 1486 CA ASP A 96 4.812 -10.784 14.420 1.00 23.52 C ATOM 1487 C ASP A 96 4.223 -9.875 15.544 1.00 13.33 C ATOM 1488 O ASP A 96 4.478 -8.673 15.547 1.00 32.15 O ATOM 1489 CB ASP A 96 5.967 -11.688 14.915 1.00 74.32 C ATOM 1490 CG ASP A 96 5.587 -12.616 16.076 1.00 32.10 C ATOM 1491 OD1 ASP A 96 5.009 -13.692 15.820 1.00 75.34 O ATOM 1492 OD2 ASP A 96 5.868 -12.272 17.246 1.00 72.34 O ATOM 0 H ASP A 96 6.360 -9.901 13.315 1.00 12.40 H new ATOM 0 HA ASP A 96 3.997 -11.423 14.081 1.00 23.52 H new ATOM 0 HB2 ASP A 96 6.322 -12.294 14.081 1.00 74.32 H new ATOM 0 HB3 ASP A 96 6.799 -11.057 15.227 1.00 74.32 H new ATOM 1497 N GLU A 97 3.461 -10.459 16.496 1.00 62.31 N ATOM 1498 CA GLU A 97 2.659 -9.715 17.520 1.00 40.11 C ATOM 1499 C GLU A 97 3.418 -8.570 18.278 1.00 65.50 C ATOM 1500 O GLU A 97 2.797 -7.570 18.660 1.00 31.24 O ATOM 1501 CB GLU A 97 2.077 -10.724 18.548 1.00 10.34 C ATOM 1502 CG GLU A 97 3.147 -11.520 19.342 1.00 33.40 C ATOM 1503 CD GLU A 97 2.602 -12.500 20.397 1.00 51.20 C ATOM 1504 OE1 GLU A 97 1.376 -12.533 20.647 1.00 52.43 O ATOM 1505 OE2 GLU A 97 3.411 -13.235 20.996 1.00 61.13 O ATOM 0 H GLU A 97 3.378 -11.472 16.584 1.00 62.31 H new ATOM 0 HA GLU A 97 1.874 -9.208 16.958 1.00 40.11 H new ATOM 0 HB2 GLU A 97 1.447 -10.182 19.254 1.00 10.34 H new ATOM 0 HB3 GLU A 97 1.433 -11.429 18.022 1.00 10.34 H new ATOM 0 HG2 GLU A 97 3.757 -12.080 18.633 1.00 33.40 H new ATOM 0 HG3 GLU A 97 3.807 -10.810 19.839 1.00 33.40 H new ATOM 1512 N HIS A 98 4.752 -8.715 18.480 1.00 23.41 N ATOM 1513 CA HIS A 98 5.569 -7.735 19.263 1.00 45.11 C ATOM 1514 C HIS A 98 6.054 -6.537 18.395 1.00 52.32 C ATOM 1515 O HIS A 98 6.555 -5.541 18.931 1.00 74.02 O ATOM 1516 CB HIS A 98 6.791 -8.438 19.919 1.00 43.43 C ATOM 1517 CG HIS A 98 6.461 -9.704 20.667 1.00 11.43 C ATOM 1518 ND1 HIS A 98 5.996 -9.716 21.957 1.00 74.23 N ATOM 1519 CD2 HIS A 98 6.519 -11.007 20.286 1.00 74.42 C ATOM 1520 CE1 HIS A 98 5.775 -10.955 22.338 1.00 72.11 C ATOM 1521 NE2 HIS A 98 6.082 -11.762 21.347 1.00 34.34 N ATOM 0 H HIS A 98 5.291 -9.500 18.114 1.00 23.41 H new ATOM 0 HA HIS A 98 4.918 -7.337 20.041 1.00 45.11 H new ATOM 0 HB2 HIS A 98 7.520 -8.670 19.142 1.00 43.43 H new ATOM 0 HB3 HIS A 98 7.269 -7.740 20.606 1.00 43.43 H new ATOM 0 HD2 HIS A 98 6.848 -11.380 19.327 1.00 74.42 H new ATOM 0 HE1 HIS A 98 5.403 -11.259 23.305 1.00 72.11 H new ATOM 0 HE2 HIS A 98 6.008 -12.779 21.363 1.00 34.34 H new ATOM 1530 N GLY A 99 5.899 -6.646 17.058 1.00 3.54 N ATOM 1531 CA GLY A 99 6.292 -5.581 16.114 1.00 64.42 C ATOM 1532 C GLY A 99 7.649 -5.813 15.427 1.00 72.43 C ATOM 1533 O GLY A 99 8.310 -4.848 15.013 1.00 30.22 O ATOM 0 H GLY A 99 5.501 -7.469 16.606 1.00 3.54 H new ATOM 0 HA2 GLY A 99 5.522 -5.488 15.348 1.00 64.42 H new ATOM 0 HA3 GLY A 99 6.326 -4.632 16.649 1.00 64.42 H new ATOM 1537 N ALA A 100 8.068 -7.087 15.303 1.00 53.42 N ATOM 1538 CA ALA A 100 9.328 -7.474 14.603 1.00 31.23 C ATOM 1539 C ALA A 100 9.020 -8.165 13.244 1.00 2.40 C ATOM 1540 O ALA A 100 8.104 -8.984 13.186 1.00 54.21 O ATOM 1541 CB ALA A 100 10.171 -8.397 15.500 1.00 13.20 C ATOM 0 H ALA A 100 7.551 -7.881 15.681 1.00 53.42 H new ATOM 0 HA ALA A 100 9.898 -6.568 14.397 1.00 31.23 H new ATOM 0 HB1 ALA A 100 11.088 -8.673 14.979 1.00 13.20 H new ATOM 0 HB2 ALA A 100 10.422 -7.876 16.424 1.00 13.20 H new ATOM 0 HB3 ALA A 100 9.602 -9.297 15.733 1.00 13.20 H new ATOM 1547 N PRO A 101 9.795 -7.857 12.140 1.00 24.42 N ATOM 1548 CA PRO A 101 9.537 -8.393 10.756 1.00 25.34 C ATOM 1549 C PRO A 101 9.408 -9.947 10.651 1.00 63.33 C ATOM 1550 O PRO A 101 10.112 -10.686 11.346 1.00 32.20 O ATOM 1551 CB PRO A 101 10.776 -7.900 9.952 1.00 54.23 C ATOM 1552 CG PRO A 101 11.224 -6.665 10.675 1.00 13.41 C ATOM 1553 CD PRO A 101 10.979 -6.943 12.145 1.00 53.14 C ATOM 0 HA PRO A 101 8.572 -8.042 10.390 1.00 25.34 H new ATOM 0 HB2 PRO A 101 11.562 -8.655 9.931 1.00 54.23 H new ATOM 0 HB3 PRO A 101 10.516 -7.682 8.916 1.00 54.23 H new ATOM 0 HG2 PRO A 101 12.278 -6.460 10.485 1.00 13.41 H new ATOM 0 HG3 PRO A 101 10.664 -5.791 10.342 1.00 13.41 H new ATOM 0 HD2 PRO A 101 11.844 -7.411 12.614 1.00 53.14 H new ATOM 0 HD3 PRO A 101 10.775 -6.026 12.697 1.00 53.14 H new ATOM 1561 N VAL A 102 8.511 -10.414 9.755 1.00 45.30 N ATOM 1562 CA VAL A 102 8.310 -11.857 9.474 1.00 3.32 C ATOM 1563 C VAL A 102 9.312 -12.347 8.396 1.00 1.23 C ATOM 1564 O VAL A 102 9.402 -11.764 7.312 1.00 41.34 O ATOM 1565 CB VAL A 102 6.827 -12.151 9.011 1.00 14.02 C ATOM 1566 CG1 VAL A 102 6.619 -13.643 8.629 1.00 21.35 C ATOM 1567 CG2 VAL A 102 5.815 -11.733 10.104 1.00 33.30 C ATOM 0 H VAL A 102 7.906 -9.804 9.206 1.00 45.30 H new ATOM 0 HA VAL A 102 8.491 -12.403 10.400 1.00 3.32 H new ATOM 0 HB VAL A 102 6.649 -11.553 8.117 1.00 14.02 H new ATOM 0 HG11 VAL A 102 5.586 -13.798 8.317 1.00 21.35 H new ATOM 0 HG12 VAL A 102 7.289 -13.906 7.810 1.00 21.35 H new ATOM 0 HG13 VAL A 102 6.836 -14.273 9.491 1.00 21.35 H new ATOM 0 HG21 VAL A 102 4.802 -11.945 9.762 1.00 33.30 H new ATOM 0 HG22 VAL A 102 6.014 -12.293 11.018 1.00 33.30 H new ATOM 0 HG23 VAL A 102 5.915 -10.666 10.303 1.00 33.30 H new ATOM 1577 N ASP A 103 10.031 -13.440 8.709 1.00 24.53 N ATOM 1578 CA ASP A 103 11.088 -14.012 7.837 1.00 55.34 C ATOM 1579 C ASP A 103 10.484 -14.784 6.630 1.00 34.42 C ATOM 1580 O ASP A 103 11.008 -14.724 5.512 1.00 22.12 O ATOM 1581 CB ASP A 103 12.016 -14.933 8.684 1.00 41.24 C ATOM 1582 CG ASP A 103 11.242 -16.035 9.442 1.00 61.31 C ATOM 1583 OD1 ASP A 103 10.732 -15.768 10.553 1.00 12.11 O ATOM 1584 OD2 ASP A 103 11.109 -17.163 8.919 1.00 60.32 O ATOM 0 H ASP A 103 9.899 -13.958 9.577 1.00 24.53 H new ATOM 0 HA ASP A 103 11.676 -13.193 7.423 1.00 55.34 H new ATOM 0 HB2 ASP A 103 12.753 -15.399 8.029 1.00 41.24 H new ATOM 0 HB3 ASP A 103 12.567 -14.324 9.401 1.00 41.24 H new ATOM 1589 N GLU A 104 9.379 -15.499 6.890 1.00 42.12 N ATOM 1590 CA GLU A 104 8.667 -16.323 5.890 1.00 43.41 C ATOM 1591 C GLU A 104 8.024 -15.458 4.769 1.00 53.24 C ATOM 1592 O GLU A 104 8.146 -15.765 3.577 1.00 5.22 O ATOM 1593 CB GLU A 104 7.591 -17.159 6.627 1.00 10.35 C ATOM 1594 CG GLU A 104 6.742 -18.063 5.721 1.00 23.31 C ATOM 1595 CD GLU A 104 5.701 -18.883 6.502 1.00 3.23 C ATOM 1596 OE1 GLU A 104 4.644 -18.326 6.863 1.00 24.51 O ATOM 1597 OE2 GLU A 104 5.936 -20.085 6.755 1.00 10.44 O ATOM 0 H GLU A 104 8.945 -15.524 7.813 1.00 42.12 H new ATOM 0 HA GLU A 104 9.384 -16.980 5.397 1.00 43.41 H new ATOM 0 HB2 GLU A 104 8.084 -17.779 7.376 1.00 10.35 H new ATOM 0 HB3 GLU A 104 6.928 -16.480 7.162 1.00 10.35 H new ATOM 0 HG2 GLU A 104 6.231 -17.449 4.979 1.00 23.31 H new ATOM 0 HG3 GLU A 104 7.398 -18.742 5.176 1.00 23.31 H new ATOM 1604 N LEU A 105 7.337 -14.380 5.180 1.00 13.42 N ATOM 1605 CA LEU A 105 6.677 -13.427 4.255 1.00 14.43 C ATOM 1606 C LEU A 105 7.686 -12.433 3.634 1.00 2.01 C ATOM 1607 O LEU A 105 7.416 -11.849 2.572 1.00 30.35 O ATOM 1608 CB LEU A 105 5.550 -12.670 5.007 1.00 63.54 C ATOM 1609 CG LEU A 105 4.406 -13.578 5.567 1.00 53.15 C ATOM 1610 CD1 LEU A 105 3.347 -12.763 6.333 1.00 3.43 C ATOM 1611 CD2 LEU A 105 3.761 -14.405 4.438 1.00 75.41 C ATOM 0 H LEU A 105 7.220 -14.139 6.164 1.00 13.42 H new ATOM 0 HA LEU A 105 6.244 -13.995 3.432 1.00 14.43 H new ATOM 0 HB2 LEU A 105 5.994 -12.117 5.835 1.00 63.54 H new ATOM 0 HB3 LEU A 105 5.113 -11.935 4.331 1.00 63.54 H new ATOM 0 HG LEU A 105 4.857 -14.267 6.281 1.00 53.15 H new ATOM 0 HD11 LEU A 105 2.571 -13.433 6.705 1.00 3.43 H new ATOM 0 HD12 LEU A 105 3.818 -12.252 7.173 1.00 3.43 H new ATOM 0 HD13 LEU A 105 2.901 -12.027 5.664 1.00 3.43 H new ATOM 0 HD21 LEU A 105 2.968 -15.029 4.851 1.00 75.41 H new ATOM 0 HD22 LEU A 105 3.341 -13.733 3.689 1.00 75.41 H new ATOM 0 HD23 LEU A 105 4.517 -15.039 3.974 1.00 75.41 H new ATOM 1623 N GLY A 106 8.826 -12.239 4.324 1.00 41.24 N ATOM 1624 CA GLY A 106 9.909 -11.380 3.835 1.00 42.40 C ATOM 1625 C GLY A 106 9.560 -9.888 3.833 1.00 30.23 C ATOM 1626 O GLY A 106 8.675 -9.434 4.573 1.00 30.14 O ATOM 0 H GLY A 106 9.017 -12.671 5.228 1.00 41.24 H new ATOM 0 HA2 GLY A 106 10.792 -11.536 4.454 1.00 42.40 H new ATOM 0 HA3 GLY A 106 10.172 -11.684 2.822 1.00 42.40 H new ATOM 1630 N VAL A 107 10.279 -9.120 2.997 1.00 44.52 N ATOM 1631 CA VAL A 107 10.086 -7.665 2.838 1.00 23.33 C ATOM 1632 C VAL A 107 9.841 -7.337 1.348 1.00 12.13 C ATOM 1633 O VAL A 107 10.546 -7.839 0.470 1.00 1.21 O ATOM 1634 CB VAL A 107 11.336 -6.857 3.363 1.00 61.01 C ATOM 1635 CG1 VAL A 107 11.096 -5.325 3.283 1.00 33.24 C ATOM 1636 CG2 VAL A 107 11.716 -7.283 4.808 1.00 4.11 C ATOM 0 H VAL A 107 11.020 -9.495 2.405 1.00 44.52 H new ATOM 0 HA VAL A 107 9.221 -7.369 3.431 1.00 23.33 H new ATOM 0 HB VAL A 107 12.175 -7.097 2.710 1.00 61.01 H new ATOM 0 HG11 VAL A 107 11.976 -4.799 3.652 1.00 33.24 H new ATOM 0 HG12 VAL A 107 10.910 -5.039 2.248 1.00 33.24 H new ATOM 0 HG13 VAL A 107 10.232 -5.060 3.893 1.00 33.24 H new ATOM 0 HG21 VAL A 107 12.580 -6.709 5.141 1.00 4.11 H new ATOM 0 HG22 VAL A 107 10.876 -7.094 5.476 1.00 4.11 H new ATOM 0 HG23 VAL A 107 11.959 -8.345 4.822 1.00 4.11 H new ATOM 1646 N THR A 108 8.830 -6.506 1.076 1.00 24.54 N ATOM 1647 CA THR A 108 8.484 -6.061 -0.294 1.00 34.32 C ATOM 1648 C THR A 108 8.275 -4.536 -0.318 1.00 22.11 C ATOM 1649 O THR A 108 7.918 -3.947 0.702 1.00 13.44 O ATOM 1650 CB THR A 108 7.227 -6.805 -0.848 1.00 52.43 C ATOM 1651 OG1 THR A 108 6.906 -6.324 -2.163 1.00 32.35 O ATOM 1652 CG2 THR A 108 5.997 -6.683 0.073 1.00 62.45 C ATOM 0 H THR A 108 8.222 -6.117 1.796 1.00 24.54 H new ATOM 0 HA THR A 108 9.318 -6.314 -0.949 1.00 34.32 H new ATOM 0 HB THR A 108 7.485 -7.863 -0.892 1.00 52.43 H new ATOM 0 HG1 THR A 108 6.064 -5.823 -2.132 1.00 32.35 H new ATOM 0 HG21 THR A 108 5.158 -7.221 -0.368 1.00 62.45 H new ATOM 0 HG22 THR A 108 6.229 -7.110 1.049 1.00 62.45 H new ATOM 0 HG23 THR A 108 5.733 -5.632 0.190 1.00 62.45 H new ATOM 1660 N HIS A 109 8.479 -3.908 -1.489 1.00 14.12 N ATOM 1661 CA HIS A 109 8.654 -2.443 -1.596 1.00 24.22 C ATOM 1662 C HIS A 109 7.638 -1.802 -2.572 1.00 1.33 C ATOM 1663 O HIS A 109 7.835 -1.830 -3.790 1.00 4.30 O ATOM 1664 CB HIS A 109 10.105 -2.146 -2.052 1.00 33.44 C ATOM 1665 CG HIS A 109 10.493 -0.702 -1.931 1.00 61.23 C ATOM 1666 ND1 HIS A 109 10.714 -0.109 -0.718 1.00 14.11 N ATOM 1667 CD2 HIS A 109 10.681 0.272 -2.858 1.00 10.51 C ATOM 1668 CE1 HIS A 109 11.016 1.147 -0.890 1.00 4.54 C ATOM 1669 NE2 HIS A 109 11.010 1.412 -2.178 1.00 51.05 N ATOM 0 H HIS A 109 8.528 -4.395 -2.384 1.00 14.12 H new ATOM 0 HA HIS A 109 8.468 -2.001 -0.617 1.00 24.22 H new ATOM 0 HB2 HIS A 109 10.793 -2.749 -1.459 1.00 33.44 H new ATOM 0 HB3 HIS A 109 10.221 -2.458 -3.090 1.00 33.44 H new ATOM 0 HD1 HIS A 109 10.652 -0.579 0.185 1.00 14.11 H new ATOM 0 HD2 HIS A 109 10.588 0.167 -3.929 1.00 10.51 H new ATOM 0 HE1 HIS A 109 11.235 1.854 -0.104 1.00 4.54 H new ATOM 1678 N ALA A 110 6.581 -1.181 -2.027 1.00 65.44 N ATOM 1679 CA ALA A 110 5.510 -0.552 -2.834 1.00 73.21 C ATOM 1680 C ALA A 110 5.868 0.906 -3.208 1.00 51.22 C ATOM 1681 O ALA A 110 6.292 1.696 -2.354 1.00 15.34 O ATOM 1682 CB ALA A 110 4.182 -0.609 -2.084 1.00 45.15 C ATOM 0 H ALA A 110 6.439 -1.098 -1.020 1.00 65.44 H new ATOM 0 HA ALA A 110 5.411 -1.114 -3.763 1.00 73.21 H new ATOM 0 HB1 ALA A 110 3.403 -0.143 -2.688 1.00 45.15 H new ATOM 0 HB2 ALA A 110 3.918 -1.649 -1.890 1.00 45.15 H new ATOM 0 HB3 ALA A 110 4.275 -0.076 -1.138 1.00 45.15 H new ATOM 1688 N THR A 111 5.677 1.253 -4.495 1.00 34.25 N ATOM 1689 CA THR A 111 5.988 2.597 -5.035 1.00 4.15 C ATOM 1690 C THR A 111 4.686 3.271 -5.517 1.00 24.21 C ATOM 1691 O THR A 111 4.129 2.881 -6.543 1.00 45.44 O ATOM 1692 CB THR A 111 7.007 2.516 -6.233 1.00 30.41 C ATOM 1693 OG1 THR A 111 8.120 1.670 -5.875 1.00 24.40 O ATOM 1694 CG2 THR A 111 7.537 3.908 -6.626 1.00 13.12 C ATOM 0 H THR A 111 5.302 0.611 -5.193 1.00 34.25 H new ATOM 0 HA THR A 111 6.445 3.184 -4.238 1.00 4.15 H new ATOM 0 HB THR A 111 6.476 2.098 -7.088 1.00 30.41 H new ATOM 0 HG1 THR A 111 8.749 1.622 -6.625 1.00 24.40 H new ATOM 0 HG21 THR A 111 8.237 3.810 -7.456 1.00 13.12 H new ATOM 0 HG22 THR A 111 6.704 4.543 -6.927 1.00 13.12 H new ATOM 0 HG23 THR A 111 8.046 4.358 -5.773 1.00 13.12 H new ATOM 1702 N VAL A 112 4.216 4.286 -4.776 1.00 65.40 N ATOM 1703 CA VAL A 112 2.941 4.983 -5.063 1.00 55.22 C ATOM 1704 C VAL A 112 3.182 6.222 -5.948 1.00 72.31 C ATOM 1705 O VAL A 112 3.888 7.152 -5.559 1.00 5.01 O ATOM 1706 CB VAL A 112 2.223 5.413 -3.738 1.00 43.11 C ATOM 1707 CG1 VAL A 112 0.869 6.119 -4.024 1.00 42.15 C ATOM 1708 CG2 VAL A 112 2.046 4.191 -2.806 1.00 73.54 C ATOM 0 H VAL A 112 4.705 4.651 -3.959 1.00 65.40 H new ATOM 0 HA VAL A 112 2.298 4.284 -5.598 1.00 55.22 H new ATOM 0 HB VAL A 112 2.853 6.141 -3.228 1.00 43.11 H new ATOM 0 HG11 VAL A 112 0.400 6.403 -3.082 1.00 42.15 H new ATOM 0 HG12 VAL A 112 1.044 7.011 -4.625 1.00 42.15 H new ATOM 0 HG13 VAL A 112 0.212 5.439 -4.566 1.00 42.15 H new ATOM 0 HG21 VAL A 112 1.546 4.502 -1.889 1.00 73.54 H new ATOM 0 HG22 VAL A 112 1.444 3.434 -3.309 1.00 73.54 H new ATOM 0 HG23 VAL A 112 3.023 3.774 -2.563 1.00 73.54 H new ATOM 1718 N LYS A 113 2.582 6.211 -7.146 1.00 51.33 N ATOM 1719 CA LYS A 113 2.795 7.243 -8.182 1.00 62.52 C ATOM 1720 C LYS A 113 1.448 7.858 -8.625 1.00 72.55 C ATOM 1721 O LYS A 113 0.479 7.139 -8.852 1.00 32.03 O ATOM 1722 CB LYS A 113 3.557 6.579 -9.359 1.00 60.32 C ATOM 1723 CG LYS A 113 4.985 6.097 -8.970 1.00 75.13 C ATOM 1724 CD LYS A 113 5.570 5.038 -9.929 1.00 61.34 C ATOM 1725 CE LYS A 113 5.595 5.491 -11.391 1.00 62.25 C ATOM 1726 NZ LYS A 113 6.434 6.698 -11.584 1.00 72.12 N ATOM 0 H LYS A 113 1.929 5.481 -7.430 1.00 51.33 H new ATOM 0 HA LYS A 113 3.390 8.069 -7.792 1.00 62.52 H new ATOM 0 HB2 LYS A 113 2.980 5.729 -9.723 1.00 60.32 H new ATOM 0 HB3 LYS A 113 3.632 7.290 -10.182 1.00 60.32 H new ATOM 0 HG2 LYS A 113 5.654 6.957 -8.943 1.00 75.13 H new ATOM 0 HG3 LYS A 113 4.956 5.684 -7.962 1.00 75.13 H new ATOM 0 HD2 LYS A 113 6.585 4.794 -9.614 1.00 61.34 H new ATOM 0 HD3 LYS A 113 4.983 4.123 -9.850 1.00 61.34 H new ATOM 0 HE2 LYS A 113 5.975 4.682 -12.015 1.00 62.25 H new ATOM 0 HE3 LYS A 113 4.578 5.699 -11.723 1.00 62.25 H new ATOM 0 HZ1 LYS A 113 6.424 6.971 -12.587 1.00 72.12 H new ATOM 0 HZ2 LYS A 113 6.057 7.478 -11.009 1.00 72.12 H new ATOM 0 HZ3 LYS A 113 7.411 6.492 -11.291 1.00 72.12 H new ATOM 1740 N LEU A 114 1.407 9.203 -8.751 1.00 13.34 N ATOM 1741 CA LEU A 114 0.151 9.968 -8.985 1.00 31.22 C ATOM 1742 C LEU A 114 0.271 10.876 -10.229 1.00 12.43 C ATOM 1743 O LEU A 114 1.278 11.546 -10.415 1.00 35.12 O ATOM 1744 CB LEU A 114 -0.196 10.805 -7.725 1.00 63.44 C ATOM 1745 CG LEU A 114 -0.526 9.986 -6.432 1.00 43.43 C ATOM 1746 CD1 LEU A 114 -0.689 10.901 -5.209 1.00 34.41 C ATOM 1747 CD2 LEU A 114 -1.785 9.126 -6.628 1.00 20.33 C ATOM 0 H LEU A 114 2.238 9.792 -8.694 1.00 13.34 H new ATOM 0 HA LEU A 114 -0.655 9.259 -9.174 1.00 31.22 H new ATOM 0 HB2 LEU A 114 0.643 11.466 -7.509 1.00 63.44 H new ATOM 0 HB3 LEU A 114 -1.051 11.440 -7.958 1.00 63.44 H new ATOM 0 HG LEU A 114 0.320 9.324 -6.246 1.00 43.43 H new ATOM 0 HD11 LEU A 114 -0.917 10.297 -4.331 1.00 34.41 H new ATOM 0 HD12 LEU A 114 0.237 11.451 -5.040 1.00 34.41 H new ATOM 0 HD13 LEU A 114 -1.502 11.605 -5.387 1.00 34.41 H new ATOM 0 HD21 LEU A 114 -1.990 8.568 -5.714 1.00 20.33 H new ATOM 0 HD22 LEU A 114 -2.633 9.770 -6.858 1.00 20.33 H new ATOM 0 HD23 LEU A 114 -1.625 8.429 -7.451 1.00 20.33 H new ATOM 1759 N GLU A 115 -0.764 10.884 -11.093 1.00 44.03 N ATOM 1760 CA GLU A 115 -0.765 11.702 -12.339 1.00 0.44 C ATOM 1761 C GLU A 115 -1.980 12.665 -12.375 1.00 14.11 C ATOM 1762 O GLU A 115 -3.119 12.215 -12.222 1.00 61.12 O ATOM 1763 CB GLU A 115 -0.772 10.778 -13.586 1.00 75.15 C ATOM 1764 CG GLU A 115 0.410 9.794 -13.641 1.00 75.43 C ATOM 1765 CD GLU A 115 0.453 8.922 -14.909 1.00 71.32 C ATOM 1766 OE1 GLU A 115 -0.615 8.492 -15.388 1.00 21.51 O ATOM 1767 OE2 GLU A 115 1.563 8.622 -15.408 1.00 24.53 O ATOM 0 H GLU A 115 -1.613 10.336 -10.957 1.00 44.03 H new ATOM 0 HA GLU A 115 0.143 12.305 -12.350 1.00 0.44 H new ATOM 0 HB2 GLU A 115 -1.704 10.212 -13.601 1.00 75.15 H new ATOM 0 HB3 GLU A 115 -0.759 11.396 -14.484 1.00 75.15 H new ATOM 0 HG2 GLU A 115 1.340 10.358 -13.571 1.00 75.43 H new ATOM 0 HG3 GLU A 115 0.366 9.143 -12.768 1.00 75.43 H new ATOM 1774 N PRO A 116 -1.754 14.006 -12.579 1.00 50.31 N ATOM 1775 CA PRO A 116 -2.848 15.013 -12.609 1.00 63.32 C ATOM 1776 C PRO A 116 -3.735 14.910 -13.881 1.00 4.42 C ATOM 1777 O PRO A 116 -3.346 15.339 -14.973 1.00 32.53 O ATOM 1778 CB PRO A 116 -2.089 16.369 -12.538 1.00 32.12 C ATOM 1779 CG PRO A 116 -0.739 16.080 -13.130 1.00 73.11 C ATOM 1780 CD PRO A 116 -0.419 14.637 -12.787 1.00 54.54 C ATOM 0 HA PRO A 116 -3.556 14.874 -11.792 1.00 63.32 H new ATOM 0 HB2 PRO A 116 -2.610 17.145 -13.099 1.00 32.12 H new ATOM 0 HB3 PRO A 116 -2.004 16.722 -11.510 1.00 32.12 H new ATOM 0 HG2 PRO A 116 -0.749 16.229 -14.210 1.00 73.11 H new ATOM 0 HG3 PRO A 116 0.016 16.752 -12.722 1.00 73.11 H new ATOM 0 HD2 PRO A 116 0.131 14.149 -13.591 1.00 54.54 H new ATOM 0 HD3 PRO A 116 0.198 14.568 -11.891 1.00 54.54 H new ATOM 1788 N LEU A 117 -4.926 14.307 -13.724 1.00 20.12 N ATOM 1789 CA LEU A 117 -5.944 14.224 -14.806 1.00 1.13 C ATOM 1790 C LEU A 117 -6.927 15.432 -14.702 1.00 54.40 C ATOM 1791 O LEU A 117 -8.153 15.263 -14.798 1.00 11.13 O ATOM 1792 CB LEU A 117 -6.716 12.869 -14.700 1.00 3.31 C ATOM 1793 CG LEU A 117 -5.863 11.567 -14.550 1.00 4.43 C ATOM 1794 CD1 LEU A 117 -6.770 10.327 -14.350 1.00 74.12 C ATOM 1795 CD2 LEU A 117 -4.907 11.375 -15.743 1.00 12.31 C ATOM 0 H LEU A 117 -5.217 13.864 -12.853 1.00 20.12 H new ATOM 0 HA LEU A 117 -5.449 14.266 -15.776 1.00 1.13 H new ATOM 0 HB2 LEU A 117 -7.390 12.931 -13.846 1.00 3.31 H new ATOM 0 HB3 LEU A 117 -7.337 12.764 -15.589 1.00 3.31 H new ATOM 0 HG LEU A 117 -5.248 11.678 -13.657 1.00 4.43 H new ATOM 0 HD11 LEU A 117 -6.151 9.436 -14.249 1.00 74.12 H new ATOM 0 HD12 LEU A 117 -7.370 10.457 -13.449 1.00 74.12 H new ATOM 0 HD13 LEU A 117 -7.428 10.215 -15.211 1.00 74.12 H new ATOM 0 HD21 LEU A 117 -4.331 10.460 -15.604 1.00 12.31 H new ATOM 0 HD22 LEU A 117 -5.485 11.303 -16.664 1.00 12.31 H new ATOM 0 HD23 LEU A 117 -4.228 12.225 -15.806 1.00 12.31 H new ATOM 1807 N GLU A 118 -6.353 16.650 -14.546 1.00 15.12 N ATOM 1808 CA GLU A 118 -7.091 17.912 -14.258 1.00 63.33 C ATOM 1809 C GLU A 118 -7.918 17.824 -12.944 1.00 22.45 C ATOM 1810 O GLU A 118 -7.422 18.170 -11.868 1.00 65.42 O ATOM 1811 CB GLU A 118 -7.966 18.382 -15.477 1.00 24.03 C ATOM 1812 CG GLU A 118 -7.198 19.076 -16.625 1.00 5.31 C ATOM 1813 CD GLU A 118 -6.116 18.198 -17.291 1.00 21.33 C ATOM 1814 OE1 GLU A 118 -6.436 17.458 -18.248 1.00 44.21 O ATOM 1815 OE2 GLU A 118 -4.940 18.241 -16.859 1.00 23.32 O ATOM 0 H GLU A 118 -5.345 16.789 -14.618 1.00 15.12 H new ATOM 0 HA GLU A 118 -6.336 18.682 -14.101 1.00 63.33 H new ATOM 0 HB2 GLU A 118 -8.485 17.514 -15.884 1.00 24.03 H new ATOM 0 HB3 GLU A 118 -8.730 19.067 -15.110 1.00 24.03 H new ATOM 0 HG2 GLU A 118 -7.912 19.390 -17.386 1.00 5.31 H new ATOM 0 HG3 GLU A 118 -6.727 19.979 -16.237 1.00 5.31 H new ATOM 1822 N ASN A 119 -9.164 17.333 -13.038 1.00 13.20 N ATOM 1823 CA ASN A 119 -10.088 17.221 -11.881 1.00 30.01 C ATOM 1824 C ASN A 119 -10.004 15.821 -11.224 1.00 11.43 C ATOM 1825 O ASN A 119 -10.466 15.619 -10.098 1.00 35.24 O ATOM 1826 CB ASN A 119 -11.523 17.544 -12.356 1.00 44.20 C ATOM 1827 CG ASN A 119 -12.036 16.570 -13.417 1.00 32.43 C ATOM 1828 OD1 ASN A 119 -12.683 15.506 -12.996 1.00 74.41 O flip ATOM 1829 ND2 ASN A 119 -11.843 16.775 -14.609 1.00 11.52 N flip ATOM 0 H ASN A 119 -9.566 17.001 -13.915 1.00 13.20 H new ATOM 0 HA ASN A 119 -9.796 17.938 -11.114 1.00 30.01 H new ATOM 0 HB2 ASN A 119 -12.196 17.526 -11.499 1.00 44.20 H new ATOM 0 HB3 ASN A 119 -11.547 18.557 -12.759 1.00 44.20 H new ATOM 0 HD21 ASN A 119 -11.338 17.609 -14.908 1.00 11.52 H new ATOM 0 HD22 ASN A 119 -12.188 16.112 -15.303 1.00 11.52 H new ATOM 1836 N ARG A 120 -9.429 14.858 -11.968 1.00 14.31 N ATOM 1837 CA ARG A 120 -9.176 13.475 -11.493 1.00 53.33 C ATOM 1838 C ARG A 120 -7.659 13.266 -11.219 1.00 63.01 C ATOM 1839 O ARG A 120 -6.843 14.166 -11.457 1.00 71.42 O ATOM 1840 CB ARG A 120 -9.654 12.463 -12.567 1.00 73.01 C ATOM 1841 CG ARG A 120 -11.141 12.568 -12.964 1.00 5.23 C ATOM 1842 CD ARG A 120 -11.453 11.783 -14.252 1.00 13.02 C ATOM 1843 NE ARG A 120 -11.062 10.363 -14.159 1.00 22.41 N ATOM 1844 CZ ARG A 120 -10.667 9.604 -15.158 1.00 33.41 C ATOM 1845 NH1 ARG A 120 -10.520 10.076 -16.359 1.00 24.03 N ATOM 1846 NH2 ARG A 120 -10.431 8.358 -14.941 1.00 32.40 N ATOM 0 H ARG A 120 -9.122 15.015 -12.928 1.00 14.31 H new ATOM 0 HA ARG A 120 -9.726 13.314 -10.566 1.00 53.33 H new ATOM 0 HB2 ARG A 120 -9.047 12.596 -13.462 1.00 73.01 H new ATOM 0 HB3 ARG A 120 -9.464 11.454 -12.200 1.00 73.01 H new ATOM 0 HG2 ARG A 120 -11.761 12.190 -12.151 1.00 5.23 H new ATOM 0 HG3 ARG A 120 -11.405 13.616 -13.106 1.00 5.23 H new ATOM 0 HD2 ARG A 120 -12.520 11.849 -14.464 1.00 13.02 H new ATOM 0 HD3 ARG A 120 -10.932 12.245 -15.090 1.00 13.02 H new ATOM 0 HE ARG A 120 -11.102 9.931 -13.236 1.00 22.41 H new ATOM 0 HH11 ARG A 120 -10.712 11.060 -16.547 1.00 24.03 H new ATOM 0 HH12 ARG A 120 -10.212 9.463 -17.114 1.00 24.03 H new ATOM 0 HH21 ARG A 120 -10.551 7.972 -14.005 1.00 32.40 H new ATOM 0 HH22 ARG A 120 -10.124 7.756 -15.705 1.00 32.40 H new ATOM 1860 N THR A 121 -7.288 12.068 -10.722 1.00 14.22 N ATOM 1861 CA THR A 121 -5.871 11.666 -10.520 1.00 40.43 C ATOM 1862 C THR A 121 -5.701 10.138 -10.717 1.00 32.54 C ATOM 1863 O THR A 121 -6.580 9.353 -10.360 1.00 70.34 O ATOM 1864 CB THR A 121 -5.329 12.100 -9.105 1.00 22.13 C ATOM 1865 OG1 THR A 121 -5.382 13.532 -8.981 1.00 61.11 O ATOM 1866 CG2 THR A 121 -3.875 11.650 -8.849 1.00 31.33 C ATOM 0 H THR A 121 -7.958 11.349 -10.448 1.00 14.22 H new ATOM 0 HA THR A 121 -5.279 12.187 -11.272 1.00 40.43 H new ATOM 0 HB THR A 121 -5.968 11.612 -8.370 1.00 22.13 H new ATOM 0 HG1 THR A 121 -6.304 13.811 -8.802 1.00 61.11 H new ATOM 0 HG21 THR A 121 -3.561 11.979 -7.858 1.00 31.33 H new ATOM 0 HG22 THR A 121 -3.815 10.563 -8.906 1.00 31.33 H new ATOM 0 HG23 THR A 121 -3.220 12.089 -9.602 1.00 31.33 H new ATOM 1874 N ARG A 122 -4.550 9.738 -11.286 1.00 13.55 N ATOM 1875 CA ARG A 122 -4.206 8.330 -11.580 1.00 44.30 C ATOM 1876 C ARG A 122 -3.190 7.799 -10.537 1.00 1.52 C ATOM 1877 O ARG A 122 -2.092 8.331 -10.434 1.00 52.24 O ATOM 1878 CB ARG A 122 -3.588 8.267 -13.008 1.00 10.03 C ATOM 1879 CG ARG A 122 -2.983 6.901 -13.415 1.00 55.22 C ATOM 1880 CD ARG A 122 -4.042 5.829 -13.688 1.00 54.53 C ATOM 1881 NE ARG A 122 -4.813 6.117 -14.917 1.00 62.15 N ATOM 1882 CZ ARG A 122 -4.680 5.492 -16.072 1.00 10.04 C ATOM 1883 NH1 ARG A 122 -3.753 4.608 -16.261 1.00 63.41 N ATOM 1884 NH2 ARG A 122 -5.476 5.780 -17.048 1.00 41.43 N ATOM 0 H ARG A 122 -3.818 10.393 -11.560 1.00 13.55 H new ATOM 0 HA ARG A 122 -5.101 7.709 -11.531 1.00 44.30 H new ATOM 0 HB2 ARG A 122 -4.360 8.532 -13.731 1.00 10.03 H new ATOM 0 HB3 ARG A 122 -2.809 9.026 -13.081 1.00 10.03 H new ATOM 0 HG2 ARG A 122 -2.371 7.033 -14.307 1.00 55.22 H new ATOM 0 HG3 ARG A 122 -2.320 6.554 -12.622 1.00 55.22 H new ATOM 0 HD2 ARG A 122 -3.559 4.857 -13.782 1.00 54.53 H new ATOM 0 HD3 ARG A 122 -4.722 5.766 -12.839 1.00 54.53 H new ATOM 0 HE ARG A 122 -5.507 6.863 -14.868 1.00 62.15 H new ATOM 0 HH11 ARG A 122 -3.104 4.380 -15.508 1.00 63.41 H new ATOM 0 HH12 ARG A 122 -3.672 4.139 -17.163 1.00 63.41 H new ATOM 0 HH21 ARG A 122 -6.201 6.486 -16.923 1.00 41.43 H new ATOM 0 HH22 ARG A 122 -5.379 5.301 -17.943 1.00 41.43 H new ATOM 1898 N MET A 123 -3.556 6.745 -9.784 1.00 54.24 N ATOM 1899 CA MET A 123 -2.660 6.110 -8.789 1.00 40.21 C ATOM 1900 C MET A 123 -2.175 4.727 -9.285 1.00 55.10 C ATOM 1901 O MET A 123 -2.985 3.826 -9.497 1.00 25.12 O ATOM 1902 CB MET A 123 -3.385 5.938 -7.428 1.00 1.11 C ATOM 1903 CG MET A 123 -2.473 5.456 -6.284 1.00 73.34 C ATOM 1904 SD MET A 123 -3.385 5.035 -4.788 1.00 13.05 S ATOM 1905 CE MET A 123 -4.327 3.625 -5.364 1.00 61.44 C ATOM 0 H MET A 123 -4.476 6.308 -9.845 1.00 54.24 H new ATOM 0 HA MET A 123 -1.798 6.765 -8.659 1.00 40.21 H new ATOM 0 HB2 MET A 123 -3.832 6.891 -7.144 1.00 1.11 H new ATOM 0 HB3 MET A 123 -4.202 5.226 -7.551 1.00 1.11 H new ATOM 0 HG2 MET A 123 -1.911 4.584 -6.618 1.00 73.34 H new ATOM 0 HG3 MET A 123 -1.746 6.235 -6.053 1.00 73.34 H new ATOM 0 HE1 MET A 123 -5.390 3.867 -5.349 1.00 61.44 H new ATOM 0 HE2 MET A 123 -4.025 3.377 -6.382 1.00 61.44 H new ATOM 0 HE3 MET A 123 -4.140 2.772 -4.712 1.00 61.44 H new ATOM 1915 N THR A 124 -0.852 4.568 -9.455 1.00 51.12 N ATOM 1916 CA THR A 124 -0.225 3.264 -9.776 1.00 35.32 C ATOM 1917 C THR A 124 0.794 2.880 -8.674 1.00 3.42 C ATOM 1918 O THR A 124 1.789 3.583 -8.467 1.00 10.24 O ATOM 1919 CB THR A 124 0.476 3.284 -11.179 1.00 50.12 C ATOM 1920 OG1 THR A 124 -0.475 3.669 -12.191 1.00 71.23 O ATOM 1921 CG2 THR A 124 1.074 1.908 -11.556 1.00 73.31 C ATOM 0 H THR A 124 -0.184 5.335 -9.375 1.00 51.12 H new ATOM 0 HA THR A 124 -1.016 2.515 -9.815 1.00 35.32 H new ATOM 0 HB THR A 124 1.292 4.004 -11.121 1.00 50.12 H new ATOM 0 HG1 THR A 124 -0.034 3.682 -13.066 1.00 71.23 H new ATOM 0 HG21 THR A 124 1.548 1.973 -12.535 1.00 73.31 H new ATOM 0 HG22 THR A 124 1.816 1.618 -10.812 1.00 73.31 H new ATOM 0 HG23 THR A 124 0.280 1.162 -11.586 1.00 73.31 H new ATOM 1929 N ILE A 125 0.518 1.772 -7.956 1.00 31.22 N ATOM 1930 CA ILE A 125 1.374 1.265 -6.855 1.00 53.12 C ATOM 1931 C ILE A 125 2.147 0.003 -7.313 1.00 53.53 C ATOM 1932 O ILE A 125 1.526 -1.028 -7.585 1.00 61.32 O ATOM 1933 CB ILE A 125 0.507 0.892 -5.590 1.00 43.32 C ATOM 1934 CG1 ILE A 125 -0.441 2.067 -5.185 1.00 41.00 C ATOM 1935 CG2 ILE A 125 1.415 0.477 -4.399 1.00 70.44 C ATOM 1936 CD1 ILE A 125 -1.421 1.726 -4.070 1.00 11.32 C ATOM 0 H ILE A 125 -0.309 1.198 -8.122 1.00 31.22 H new ATOM 0 HA ILE A 125 2.075 2.057 -6.591 1.00 53.12 H new ATOM 0 HB ILE A 125 -0.117 0.039 -5.855 1.00 43.32 H new ATOM 0 HG12 ILE A 125 0.166 2.917 -4.872 1.00 41.00 H new ATOM 0 HG13 ILE A 125 -1.004 2.383 -6.063 1.00 41.00 H new ATOM 0 HG21 ILE A 125 0.795 0.225 -3.539 1.00 70.44 H new ATOM 0 HG22 ILE A 125 2.013 -0.389 -4.682 1.00 70.44 H new ATOM 0 HG23 ILE A 125 2.075 1.304 -4.139 1.00 70.44 H new ATOM 0 HD11 ILE A 125 -2.040 2.596 -3.851 1.00 11.32 H new ATOM 0 HD12 ILE A 125 -2.056 0.898 -4.385 1.00 11.32 H new ATOM 0 HD13 ILE A 125 -0.869 1.440 -3.175 1.00 11.32 H new ATOM 1948 N ILE A 126 3.494 0.075 -7.400 1.00 51.53 N ATOM 1949 CA ILE A 126 4.330 -1.069 -7.847 1.00 24.41 C ATOM 1950 C ILE A 126 5.128 -1.660 -6.650 1.00 14.44 C ATOM 1951 O ILE A 126 6.077 -1.043 -6.167 1.00 65.40 O ATOM 1952 CB ILE A 126 5.341 -0.690 -9.014 1.00 3.22 C ATOM 1953 CG1 ILE A 126 4.646 0.087 -10.195 1.00 63.05 C ATOM 1954 CG2 ILE A 126 6.044 -1.966 -9.551 1.00 74.45 C ATOM 1955 CD1 ILE A 126 4.391 1.563 -9.946 1.00 73.11 C ATOM 0 H ILE A 126 4.028 0.912 -7.167 1.00 51.53 H new ATOM 0 HA ILE A 126 3.638 -1.811 -8.244 1.00 24.41 H new ATOM 0 HB ILE A 126 6.083 -0.016 -8.585 1.00 3.22 H new ATOM 0 HG12 ILE A 126 5.266 -0.011 -11.086 1.00 63.05 H new ATOM 0 HG13 ILE A 126 3.694 -0.396 -10.414 1.00 63.05 H new ATOM 0 HG21 ILE A 126 6.734 -1.693 -10.350 1.00 74.45 H new ATOM 0 HG22 ILE A 126 6.597 -2.445 -8.742 1.00 74.45 H new ATOM 0 HG23 ILE A 126 5.296 -2.658 -9.938 1.00 74.45 H new ATOM 0 HD11 ILE A 126 3.910 2.002 -10.820 1.00 73.11 H new ATOM 0 HD12 ILE A 126 3.742 1.679 -9.078 1.00 73.11 H new ATOM 0 HD13 ILE A 126 5.338 2.070 -9.761 1.00 73.11 H new ATOM 1967 N SER A 127 4.734 -2.861 -6.199 1.00 43.14 N ATOM 1968 CA SER A 127 5.348 -3.566 -5.055 1.00 10.22 C ATOM 1969 C SER A 127 6.370 -4.610 -5.556 1.00 41.34 C ATOM 1970 O SER A 127 5.995 -5.608 -6.176 1.00 74.31 O ATOM 1971 CB SER A 127 4.237 -4.230 -4.200 1.00 23.11 C ATOM 1972 OG SER A 127 4.750 -4.790 -3.008 1.00 42.14 O ATOM 0 H SER A 127 3.967 -3.381 -6.624 1.00 43.14 H new ATOM 0 HA SER A 127 5.884 -2.851 -4.431 1.00 10.22 H new ATOM 0 HB2 SER A 127 3.477 -3.489 -3.954 1.00 23.11 H new ATOM 0 HB3 SER A 127 3.746 -5.008 -4.784 1.00 23.11 H new ATOM 0 HG SER A 127 4.703 -4.127 -2.288 1.00 42.14 H new ATOM 1978 N THR A 128 7.668 -4.333 -5.340 1.00 43.41 N ATOM 1979 CA THR A 128 8.783 -5.211 -5.759 1.00 21.23 C ATOM 1980 C THR A 128 9.224 -6.154 -4.615 1.00 30.33 C ATOM 1981 O THR A 128 9.486 -5.711 -3.505 1.00 72.15 O ATOM 1982 CB THR A 128 10.009 -4.358 -6.239 1.00 21.12 C ATOM 1983 OG1 THR A 128 10.390 -3.414 -5.220 1.00 2.25 O ATOM 1984 CG2 THR A 128 9.707 -3.599 -7.548 1.00 4.11 C ATOM 0 H THR A 128 7.979 -3.486 -4.865 1.00 43.41 H new ATOM 0 HA THR A 128 8.421 -5.820 -6.587 1.00 21.23 H new ATOM 0 HB THR A 128 10.828 -5.052 -6.429 1.00 21.12 H new ATOM 0 HG1 THR A 128 11.157 -2.889 -5.531 1.00 2.25 H new ATOM 0 HG21 THR A 128 10.583 -3.021 -7.844 1.00 4.11 H new ATOM 0 HG22 THR A 128 9.460 -4.313 -8.334 1.00 4.11 H new ATOM 0 HG23 THR A 128 8.864 -2.926 -7.392 1.00 4.11 H new ATOM 1992 N PHE A 129 9.329 -7.456 -4.918 1.00 51.31 N ATOM 1993 CA PHE A 129 9.658 -8.521 -3.939 1.00 2.42 C ATOM 1994 C PHE A 129 11.145 -8.931 -4.060 1.00 24.50 C ATOM 1995 O PHE A 129 11.760 -8.738 -5.115 1.00 60.42 O ATOM 1996 CB PHE A 129 8.740 -9.749 -4.193 1.00 1.50 C ATOM 1997 CG PHE A 129 7.243 -9.403 -4.243 1.00 41.32 C ATOM 1998 CD1 PHE A 129 6.630 -9.037 -5.446 1.00 31.05 C ATOM 1999 CD2 PHE A 129 6.456 -9.429 -3.096 1.00 75.45 C ATOM 2000 CE1 PHE A 129 5.287 -8.715 -5.493 1.00 51.25 C ATOM 2001 CE2 PHE A 129 5.111 -9.100 -3.146 1.00 73.05 C ATOM 2002 CZ PHE A 129 4.528 -8.745 -4.344 1.00 42.22 C ATOM 0 H PHE A 129 9.187 -7.812 -5.863 1.00 51.31 H new ATOM 0 HA PHE A 129 9.492 -8.144 -2.930 1.00 2.42 H new ATOM 0 HB2 PHE A 129 9.027 -10.217 -5.135 1.00 1.50 H new ATOM 0 HB3 PHE A 129 8.907 -10.485 -3.407 1.00 1.50 H new ATOM 0 HD1 PHE A 129 7.216 -9.006 -6.353 1.00 31.05 H new ATOM 0 HD2 PHE A 129 6.900 -9.710 -2.152 1.00 75.45 H new ATOM 0 HE1 PHE A 129 4.832 -8.439 -6.433 1.00 51.25 H new ATOM 0 HE2 PHE A 129 4.518 -9.122 -2.244 1.00 73.05 H new ATOM 0 HZ PHE A 129 3.479 -8.491 -4.381 1.00 42.22 H new ATOM 2012 N GLU A 130 11.711 -9.516 -2.987 1.00 12.14 N ATOM 2013 CA GLU A 130 13.131 -9.955 -2.972 1.00 55.35 C ATOM 2014 C GLU A 130 13.362 -11.213 -3.853 1.00 44.33 C ATOM 2015 O GLU A 130 14.414 -11.347 -4.484 1.00 52.42 O ATOM 2016 CB GLU A 130 13.589 -10.240 -1.518 1.00 22.24 C ATOM 2017 CG GLU A 130 13.473 -9.037 -0.564 1.00 5.21 C ATOM 2018 CD GLU A 130 13.800 -9.395 0.897 1.00 42.11 C ATOM 2019 OE1 GLU A 130 14.983 -9.296 1.300 1.00 32.10 O ATOM 2020 OE2 GLU A 130 12.883 -9.785 1.646 1.00 34.25 O ATOM 0 H GLU A 130 11.212 -9.698 -2.116 1.00 12.14 H new ATOM 0 HA GLU A 130 13.725 -9.143 -3.391 1.00 55.35 H new ATOM 0 HB2 GLU A 130 12.996 -11.063 -1.119 1.00 22.24 H new ATOM 0 HB3 GLU A 130 14.626 -10.574 -1.536 1.00 22.24 H new ATOM 0 HG2 GLU A 130 14.147 -8.248 -0.899 1.00 5.21 H new ATOM 0 HG3 GLU A 130 12.461 -8.635 -0.616 1.00 5.21 H new ATOM 2027 N SER A 131 12.368 -12.124 -3.896 1.00 13.42 N ATOM 2028 CA SER A 131 12.481 -13.401 -4.642 1.00 20.24 C ATOM 2029 C SER A 131 11.127 -13.845 -5.240 1.00 55.24 C ATOM 2030 O SER A 131 10.054 -13.367 -4.840 1.00 45.20 O ATOM 2031 CB SER A 131 13.047 -14.513 -3.721 1.00 14.24 C ATOM 2032 OG SER A 131 12.171 -14.780 -2.647 1.00 31.40 O ATOM 0 H SER A 131 11.473 -12.001 -3.422 1.00 13.42 H new ATOM 0 HA SER A 131 13.168 -13.233 -5.472 1.00 20.24 H new ATOM 0 HB2 SER A 131 13.205 -15.423 -4.300 1.00 14.24 H new ATOM 0 HB3 SER A 131 14.019 -14.208 -3.334 1.00 14.24 H new ATOM 0 HG SER A 131 12.198 -15.736 -2.432 1.00 31.40 H new ATOM 2038 N GLU A 132 11.220 -14.775 -6.210 1.00 50.42 N ATOM 2039 CA GLU A 132 10.065 -15.372 -6.922 1.00 63.12 C ATOM 2040 C GLU A 132 9.204 -16.237 -5.975 1.00 61.14 C ATOM 2041 O GLU A 132 7.977 -16.137 -5.976 1.00 2.25 O ATOM 2042 CB GLU A 132 10.612 -16.191 -8.137 1.00 34.44 C ATOM 2043 CG GLU A 132 9.570 -16.723 -9.160 1.00 22.12 C ATOM 2044 CD GLU A 132 8.828 -18.006 -8.733 1.00 73.32 C ATOM 2045 OE1 GLU A 132 9.476 -18.929 -8.195 1.00 5.11 O ATOM 2046 OE2 GLU A 132 7.607 -18.102 -8.947 1.00 64.35 O ATOM 0 H GLU A 132 12.116 -15.142 -6.530 1.00 50.42 H new ATOM 0 HA GLU A 132 9.405 -14.586 -7.288 1.00 63.12 H new ATOM 0 HB2 GLU A 132 11.324 -15.564 -8.674 1.00 34.44 H new ATOM 0 HB3 GLU A 132 11.169 -17.043 -7.747 1.00 34.44 H new ATOM 0 HG2 GLU A 132 8.834 -15.941 -9.345 1.00 22.12 H new ATOM 0 HG3 GLU A 132 10.077 -16.913 -10.106 1.00 22.12 H new ATOM 2053 N GLU A 133 9.853 -17.075 -5.157 1.00 25.32 N ATOM 2054 CA GLU A 133 9.146 -17.945 -4.187 1.00 14.41 C ATOM 2055 C GLU A 133 8.462 -17.123 -3.053 1.00 22.20 C ATOM 2056 O GLU A 133 7.453 -17.558 -2.488 1.00 13.53 O ATOM 2057 CB GLU A 133 10.123 -19.037 -3.646 1.00 44.44 C ATOM 2058 CG GLU A 133 11.440 -18.525 -2.987 1.00 34.11 C ATOM 2059 CD GLU A 133 11.310 -18.203 -1.484 1.00 11.11 C ATOM 2060 OE1 GLU A 133 11.205 -19.150 -0.678 1.00 30.31 O ATOM 2061 OE2 GLU A 133 11.325 -17.019 -1.094 1.00 4.32 O ATOM 0 H GLU A 133 10.868 -17.175 -5.142 1.00 25.32 H new ATOM 0 HA GLU A 133 8.332 -18.454 -4.702 1.00 14.41 H new ATOM 0 HB2 GLU A 133 9.588 -19.642 -2.914 1.00 44.44 H new ATOM 0 HB3 GLU A 133 10.389 -19.697 -4.472 1.00 44.44 H new ATOM 0 HG2 GLU A 133 12.217 -19.278 -3.120 1.00 34.11 H new ATOM 0 HG3 GLU A 133 11.772 -17.629 -3.512 1.00 34.11 H new ATOM 2068 N GLN A 134 9.014 -15.919 -2.752 1.00 75.35 N ATOM 2069 CA GLN A 134 8.405 -14.971 -1.787 1.00 31.20 C ATOM 2070 C GLN A 134 7.067 -14.416 -2.320 1.00 13.45 C ATOM 2071 O GLN A 134 6.072 -14.401 -1.601 1.00 45.11 O ATOM 2072 CB GLN A 134 9.354 -13.780 -1.489 1.00 25.14 C ATOM 2073 CG GLN A 134 8.858 -12.827 -0.368 1.00 3.30 C ATOM 2074 CD GLN A 134 9.609 -11.498 -0.301 1.00 64.52 C ATOM 2075 OE1 GLN A 134 10.758 -11.401 -0.697 1.00 21.41 O ATOM 2076 NE2 GLN A 134 8.970 -10.473 0.231 1.00 51.22 N ATOM 0 H GLN A 134 9.883 -15.583 -3.167 1.00 75.35 H new ATOM 0 HA GLN A 134 8.227 -15.529 -0.868 1.00 31.20 H new ATOM 0 HB2 GLN A 134 10.332 -14.172 -1.209 1.00 25.14 H new ATOM 0 HB3 GLN A 134 9.492 -13.204 -2.404 1.00 25.14 H new ATOM 0 HG2 GLN A 134 7.798 -12.625 -0.520 1.00 3.30 H new ATOM 0 HG3 GLN A 134 8.952 -13.334 0.593 1.00 3.30 H new ATOM 0 HE21 GLN A 134 8.009 -10.583 0.554 1.00 51.22 H new ATOM 0 HE22 GLN A 134 9.437 -9.571 0.319 1.00 51.22 H new ATOM 2085 N MET A 135 7.064 -13.945 -3.590 1.00 14.31 N ATOM 2086 CA MET A 135 5.863 -13.331 -4.213 1.00 53.23 C ATOM 2087 C MET A 135 4.716 -14.355 -4.394 1.00 22.41 C ATOM 2088 O MET A 135 3.537 -13.978 -4.411 1.00 25.11 O ATOM 2089 CB MET A 135 6.214 -12.610 -5.545 1.00 63.25 C ATOM 2090 CG MET A 135 6.539 -13.488 -6.755 1.00 71.24 C ATOM 2091 SD MET A 135 7.033 -12.513 -8.195 1.00 61.40 S ATOM 2092 CE MET A 135 5.631 -11.407 -8.417 1.00 23.40 C ATOM 0 H MET A 135 7.878 -13.978 -4.204 1.00 14.31 H new ATOM 0 HA MET A 135 5.498 -12.570 -3.523 1.00 53.23 H new ATOM 0 HB2 MET A 135 5.375 -11.966 -5.811 1.00 63.25 H new ATOM 0 HB3 MET A 135 7.069 -11.960 -5.361 1.00 63.25 H new ATOM 0 HG2 MET A 135 7.340 -14.180 -6.495 1.00 71.24 H new ATOM 0 HG3 MET A 135 5.667 -14.091 -7.009 1.00 71.24 H new ATOM 0 HE1 MET A 135 5.701 -10.922 -9.391 1.00 23.40 H new ATOM 0 HE2 MET A 135 4.704 -11.978 -8.362 1.00 23.40 H new ATOM 0 HE3 MET A 135 5.637 -10.650 -7.633 1.00 23.40 H new ATOM 2102 N GLN A 136 5.075 -15.646 -4.542 1.00 54.31 N ATOM 2103 CA GLN A 136 4.095 -16.755 -4.538 1.00 21.40 C ATOM 2104 C GLN A 136 3.458 -16.927 -3.141 1.00 31.31 C ATOM 2105 O GLN A 136 2.250 -17.126 -3.026 1.00 53.44 O ATOM 2106 CB GLN A 136 4.755 -18.081 -4.998 1.00 3.21 C ATOM 2107 CG GLN A 136 5.370 -18.032 -6.408 1.00 11.23 C ATOM 2108 CD GLN A 136 4.392 -17.596 -7.510 1.00 61.04 C ATOM 2109 OE1 GLN A 136 3.189 -17.820 -7.429 1.00 44.40 O ATOM 2110 NE2 GLN A 136 4.902 -16.980 -8.558 1.00 41.34 N ATOM 0 H GLN A 136 6.041 -15.949 -4.666 1.00 54.31 H new ATOM 0 HA GLN A 136 3.305 -16.501 -5.245 1.00 21.40 H new ATOM 0 HB2 GLN A 136 5.534 -18.351 -4.285 1.00 3.21 H new ATOM 0 HB3 GLN A 136 4.007 -18.874 -4.969 1.00 3.21 H new ATOM 0 HG2 GLN A 136 6.217 -17.346 -6.398 1.00 11.23 H new ATOM 0 HG3 GLN A 136 5.761 -19.019 -6.655 1.00 11.23 H new ATOM 0 HE21 GLN A 136 5.905 -16.803 -8.607 1.00 41.34 H new ATOM 0 HE22 GLN A 136 4.293 -16.681 -9.320 1.00 41.34 H new ATOM 2119 N LYS A 137 4.298 -16.836 -2.085 1.00 5.44 N ATOM 2120 CA LYS A 137 3.838 -16.855 -0.673 1.00 34.00 C ATOM 2121 C LYS A 137 2.907 -15.648 -0.365 1.00 74.21 C ATOM 2122 O LYS A 137 1.952 -15.768 0.404 1.00 54.34 O ATOM 2123 CB LYS A 137 5.065 -16.875 0.282 1.00 52.30 C ATOM 2124 CG LYS A 137 4.725 -16.901 1.789 1.00 20.50 C ATOM 2125 CD LYS A 137 3.912 -18.153 2.208 1.00 64.12 C ATOM 2126 CE LYS A 137 3.479 -18.101 3.679 1.00 53.25 C ATOM 2127 NZ LYS A 137 2.801 -19.343 4.106 1.00 12.25 N ATOM 0 H LYS A 137 5.309 -16.748 -2.184 1.00 5.44 H new ATOM 0 HA LYS A 137 3.254 -17.761 -0.511 1.00 34.00 H new ATOM 0 HB2 LYS A 137 5.673 -17.749 0.048 1.00 52.30 H new ATOM 0 HB3 LYS A 137 5.678 -15.997 0.079 1.00 52.30 H new ATOM 0 HG2 LYS A 137 5.650 -16.867 2.365 1.00 20.50 H new ATOM 0 HG3 LYS A 137 4.158 -16.005 2.043 1.00 20.50 H new ATOM 0 HD2 LYS A 137 3.029 -18.239 1.575 1.00 64.12 H new ATOM 0 HD3 LYS A 137 4.513 -19.047 2.040 1.00 64.12 H new ATOM 0 HE2 LYS A 137 4.353 -17.932 4.308 1.00 53.25 H new ATOM 0 HE3 LYS A 137 2.810 -17.254 3.829 1.00 53.25 H new ATOM 0 HZ1 LYS A 137 2.527 -19.263 5.106 1.00 12.25 H new ATOM 0 HZ2 LYS A 137 1.952 -19.492 3.525 1.00 12.25 H new ATOM 0 HZ3 LYS A 137 3.447 -20.149 3.988 1.00 12.25 H new ATOM 2141 N MET A 138 3.193 -14.497 -0.993 1.00 54.14 N ATOM 2142 CA MET A 138 2.346 -13.285 -0.899 1.00 63.23 C ATOM 2143 C MET A 138 0.958 -13.522 -1.551 1.00 21.11 C ATOM 2144 O MET A 138 -0.068 -13.050 -1.056 1.00 71.24 O ATOM 2145 CB MET A 138 3.073 -12.090 -1.566 1.00 12.23 C ATOM 2146 CG MET A 138 4.442 -11.703 -0.944 1.00 43.03 C ATOM 2147 SD MET A 138 4.335 -10.510 0.418 1.00 12.45 S ATOM 2148 CE MET A 138 3.744 -11.505 1.782 1.00 10.23 C ATOM 0 H MET A 138 4.017 -14.374 -1.582 1.00 54.14 H new ATOM 0 HA MET A 138 2.178 -13.055 0.153 1.00 63.23 H new ATOM 0 HB2 MET A 138 3.226 -12.324 -2.620 1.00 12.23 H new ATOM 0 HB3 MET A 138 2.417 -11.220 -1.525 1.00 12.23 H new ATOM 0 HG2 MET A 138 4.931 -12.607 -0.582 1.00 43.03 H new ATOM 0 HG3 MET A 138 5.078 -11.288 -1.726 1.00 43.03 H new ATOM 0 HE1 MET A 138 3.987 -11.013 2.724 1.00 10.23 H new ATOM 0 HE2 MET A 138 2.663 -11.625 1.703 1.00 10.23 H new ATOM 0 HE3 MET A 138 4.221 -12.485 1.751 1.00 10.23 H new ATOM 2158 N ALA A 139 0.953 -14.255 -2.678 1.00 54.11 N ATOM 2159 CA ALA A 139 -0.289 -14.688 -3.356 1.00 41.13 C ATOM 2160 C ALA A 139 -1.084 -15.711 -2.494 1.00 62.45 C ATOM 2161 O ALA A 139 -2.318 -15.736 -2.543 1.00 22.42 O ATOM 2162 CB ALA A 139 0.050 -15.256 -4.741 1.00 42.02 C ATOM 0 H ALA A 139 1.805 -14.565 -3.146 1.00 54.11 H new ATOM 0 HA ALA A 139 -0.937 -13.821 -3.485 1.00 41.13 H new ATOM 0 HB1 ALA A 139 -0.866 -15.574 -5.238 1.00 42.02 H new ATOM 0 HB2 ALA A 139 0.540 -14.488 -5.339 1.00 42.02 H new ATOM 0 HB3 ALA A 139 0.718 -16.110 -4.630 1.00 42.02 H new ATOM 2168 N GLU A 140 -0.362 -16.528 -1.691 1.00 12.23 N ATOM 2169 CA GLU A 140 -0.983 -17.446 -0.691 1.00 22.05 C ATOM 2170 C GLU A 140 -1.647 -16.656 0.463 1.00 23.43 C ATOM 2171 O GLU A 140 -2.595 -17.135 1.088 1.00 31.53 O ATOM 2172 CB GLU A 140 0.070 -18.432 -0.104 1.00 13.41 C ATOM 2173 CG GLU A 140 0.778 -19.333 -1.136 1.00 73.40 C ATOM 2174 CD GLU A 140 -0.189 -20.232 -1.921 1.00 75.34 C ATOM 2175 OE1 GLU A 140 -0.678 -21.228 -1.348 1.00 51.44 O ATOM 2176 OE2 GLU A 140 -0.464 -19.959 -3.110 1.00 54.44 O ATOM 0 H GLU A 140 0.657 -16.574 -1.713 1.00 12.23 H new ATOM 0 HA GLU A 140 -1.751 -18.016 -1.215 1.00 22.05 H new ATOM 0 HB2 GLU A 140 0.826 -17.855 0.429 1.00 13.41 H new ATOM 0 HB3 GLU A 140 -0.423 -19.068 0.631 1.00 13.41 H new ATOM 0 HG2 GLU A 140 1.331 -18.707 -1.836 1.00 73.40 H new ATOM 0 HG3 GLU A 140 1.508 -19.958 -0.622 1.00 73.40 H new ATOM 2183 N MET A 141 -1.113 -15.453 0.753 1.00 1.43 N ATOM 2184 CA MET A 141 -1.702 -14.518 1.744 1.00 40.42 C ATOM 2185 C MET A 141 -2.929 -13.773 1.171 1.00 65.45 C ATOM 2186 O MET A 141 -3.793 -13.310 1.928 1.00 53.32 O ATOM 2187 CB MET A 141 -0.632 -13.501 2.203 1.00 4.34 C ATOM 2188 CG MET A 141 0.590 -14.146 2.865 1.00 21.11 C ATOM 2189 SD MET A 141 0.185 -15.067 4.369 1.00 54.34 S ATOM 2190 CE MET A 141 -0.388 -13.763 5.461 1.00 2.34 C ATOM 0 H MET A 141 -0.265 -15.099 0.311 1.00 1.43 H new ATOM 0 HA MET A 141 -2.042 -15.105 2.597 1.00 40.42 H new ATOM 0 HB2 MET A 141 -0.303 -12.920 1.341 1.00 4.34 H new ATOM 0 HB3 MET A 141 -1.086 -12.801 2.904 1.00 4.34 H new ATOM 0 HG2 MET A 141 1.068 -14.819 2.153 1.00 21.11 H new ATOM 0 HG3 MET A 141 1.316 -13.370 3.107 1.00 21.11 H new ATOM 0 HE1 MET A 141 -0.450 -14.143 6.481 1.00 2.34 H new ATOM 0 HE2 MET A 141 0.310 -12.927 5.427 1.00 2.34 H new ATOM 0 HE3 MET A 141 -1.373 -13.426 5.139 1.00 2.34 H new ATOM 2200 N GLY A 142 -2.982 -13.663 -0.165 1.00 14.51 N ATOM 2201 CA GLY A 142 -4.055 -12.942 -0.851 1.00 20.42 C ATOM 2202 C GLY A 142 -3.779 -11.439 -0.952 1.00 2.12 C ATOM 2203 O GLY A 142 -4.690 -10.627 -0.819 1.00 25.22 O ATOM 0 H GLY A 142 -2.287 -14.069 -0.792 1.00 14.51 H new ATOM 0 HA2 GLY A 142 -4.182 -13.353 -1.852 1.00 20.42 H new ATOM 0 HA3 GLY A 142 -4.993 -13.101 -0.319 1.00 20.42 H new ATOM 2207 N MET A 143 -2.502 -11.081 -1.198 1.00 1.13 N ATOM 2208 CA MET A 143 -2.050 -9.667 -1.327 1.00 12.54 C ATOM 2209 C MET A 143 -2.601 -8.984 -2.600 1.00 41.21 C ATOM 2210 O MET A 143 -2.808 -7.763 -2.611 1.00 24.22 O ATOM 2211 CB MET A 143 -0.497 -9.605 -1.327 1.00 12.14 C ATOM 2212 CG MET A 143 0.143 -9.932 0.028 1.00 0.04 C ATOM 2213 SD MET A 143 -0.316 -8.742 1.303 1.00 70.11 S ATOM 2214 CE MET A 143 0.531 -7.256 0.751 1.00 10.44 C ATOM 0 H MET A 143 -1.749 -11.759 -1.314 1.00 1.13 H new ATOM 0 HA MET A 143 -2.445 -9.123 -0.469 1.00 12.54 H new ATOM 0 HB2 MET A 143 -0.116 -10.302 -2.074 1.00 12.14 H new ATOM 0 HB3 MET A 143 -0.184 -8.607 -1.633 1.00 12.14 H new ATOM 0 HG2 MET A 143 -0.161 -10.931 0.340 1.00 0.04 H new ATOM 0 HG3 MET A 143 1.228 -9.947 -0.079 1.00 0.04 H new ATOM 0 HE1 MET A 143 0.543 -6.523 1.558 1.00 10.44 H new ATOM 0 HE2 MET A 143 1.555 -7.504 0.470 1.00 10.44 H new ATOM 0 HE3 MET A 143 0.010 -6.839 -0.110 1.00 10.44 H new ATOM 2224 N GLU A 144 -2.843 -9.785 -3.656 1.00 63.10 N ATOM 2225 CA GLU A 144 -3.263 -9.267 -4.974 1.00 25.33 C ATOM 2226 C GLU A 144 -4.679 -8.660 -4.923 1.00 13.12 C ATOM 2227 O GLU A 144 -4.876 -7.489 -5.282 1.00 42.03 O ATOM 2228 CB GLU A 144 -3.156 -10.370 -6.059 1.00 75.43 C ATOM 2229 CG GLU A 144 -1.728 -10.923 -6.236 1.00 74.33 C ATOM 2230 CD GLU A 144 -1.618 -11.972 -7.348 1.00 3.11 C ATOM 2231 OE1 GLU A 144 -1.694 -11.601 -8.538 1.00 54.21 O ATOM 2232 OE2 GLU A 144 -1.469 -13.173 -7.051 1.00 63.32 O ATOM 0 H GLU A 144 -2.754 -10.801 -3.621 1.00 63.10 H new ATOM 0 HA GLU A 144 -2.581 -8.461 -5.246 1.00 25.33 H new ATOM 0 HB2 GLU A 144 -3.825 -11.190 -5.799 1.00 75.43 H new ATOM 0 HB3 GLU A 144 -3.501 -9.967 -7.011 1.00 75.43 H new ATOM 0 HG2 GLU A 144 -1.051 -10.098 -6.456 1.00 74.33 H new ATOM 0 HG3 GLU A 144 -1.397 -11.364 -5.296 1.00 74.33 H new ATOM 2239 N GLU A 145 -5.659 -9.463 -4.474 1.00 74.15 N ATOM 2240 CA GLU A 145 -7.032 -8.979 -4.234 1.00 55.22 C ATOM 2241 C GLU A 145 -7.126 -8.161 -2.925 1.00 34.24 C ATOM 2242 O GLU A 145 -7.896 -7.214 -2.860 1.00 13.23 O ATOM 2243 CB GLU A 145 -8.040 -10.149 -4.214 1.00 43.53 C ATOM 2244 CG GLU A 145 -8.128 -10.933 -5.537 1.00 1.21 C ATOM 2245 CD GLU A 145 -9.311 -11.912 -5.557 1.00 2.44 C ATOM 2246 OE1 GLU A 145 -10.426 -11.497 -5.944 1.00 22.10 O ATOM 2247 OE2 GLU A 145 -9.139 -13.082 -5.170 1.00 42.42 O ATOM 0 H GLU A 145 -5.526 -10.453 -4.269 1.00 74.15 H new ATOM 0 HA GLU A 145 -7.290 -8.318 -5.061 1.00 55.22 H new ATOM 0 HB2 GLU A 145 -7.764 -10.837 -3.415 1.00 43.53 H new ATOM 0 HB3 GLU A 145 -9.028 -9.758 -3.971 1.00 43.53 H new ATOM 0 HG2 GLU A 145 -8.225 -10.232 -6.366 1.00 1.21 H new ATOM 0 HG3 GLU A 145 -7.201 -11.484 -5.693 1.00 1.21 H new ATOM 2254 N GLY A 146 -6.314 -8.528 -1.918 1.00 3.34 N ATOM 2255 CA GLY A 146 -6.330 -7.881 -0.587 1.00 44.21 C ATOM 2256 C GLY A 146 -6.083 -6.367 -0.616 1.00 1.14 C ATOM 2257 O GLY A 146 -6.902 -5.586 -0.104 1.00 14.21 O ATOM 0 H GLY A 146 -5.629 -9.279 -2.000 1.00 3.34 H new ATOM 0 HA2 GLY A 146 -7.294 -8.071 -0.116 1.00 44.21 H new ATOM 0 HA3 GLY A 146 -5.571 -8.349 0.040 1.00 44.21 H new ATOM 2261 N MET A 147 -4.960 -5.948 -1.242 1.00 2.14 N ATOM 2262 CA MET A 147 -4.635 -4.511 -1.395 1.00 61.05 C ATOM 2263 C MET A 147 -5.564 -3.840 -2.442 1.00 14.32 C ATOM 2264 O MET A 147 -5.842 -2.655 -2.335 1.00 64.45 O ATOM 2265 CB MET A 147 -3.134 -4.285 -1.740 1.00 11.31 C ATOM 2266 CG MET A 147 -2.678 -2.813 -1.611 1.00 62.40 C ATOM 2267 SD MET A 147 -0.891 -2.582 -1.765 1.00 53.13 S ATOM 2268 CE MET A 147 -0.596 -3.028 -3.472 1.00 3.22 C ATOM 0 H MET A 147 -4.268 -6.579 -1.647 1.00 2.14 H new ATOM 0 HA MET A 147 -4.813 -4.034 -0.431 1.00 61.05 H new ATOM 0 HB2 MET A 147 -2.523 -4.904 -1.083 1.00 11.31 H new ATOM 0 HB3 MET A 147 -2.950 -4.624 -2.759 1.00 11.31 H new ATOM 0 HG2 MET A 147 -3.178 -2.220 -2.376 1.00 62.40 H new ATOM 0 HG3 MET A 147 -3.002 -2.426 -0.645 1.00 62.40 H new ATOM 0 HE1 MET A 147 0.471 -3.188 -3.627 1.00 3.22 H new ATOM 0 HE2 MET A 147 -1.138 -3.944 -3.708 1.00 3.22 H new ATOM 0 HE3 MET A 147 -0.941 -2.224 -4.123 1.00 3.22 H new ATOM 2278 N ARG A 148 -6.051 -4.622 -3.437 1.00 33.21 N ATOM 2279 CA ARG A 148 -7.065 -4.143 -4.417 1.00 15.11 C ATOM 2280 C ARG A 148 -8.372 -3.684 -3.703 1.00 51.34 C ATOM 2281 O ARG A 148 -8.944 -2.662 -4.063 1.00 4.00 O ATOM 2282 CB ARG A 148 -7.393 -5.256 -5.459 1.00 54.22 C ATOM 2283 CG ARG A 148 -8.610 -4.953 -6.371 1.00 30.51 C ATOM 2284 CD ARG A 148 -9.034 -6.144 -7.242 1.00 51.20 C ATOM 2285 NE ARG A 148 -8.109 -6.401 -8.361 1.00 74.22 N ATOM 2286 CZ ARG A 148 -7.577 -7.565 -8.668 1.00 22.02 C ATOM 2287 NH1 ARG A 148 -7.669 -8.582 -7.871 1.00 31.22 N ATOM 2288 NH2 ARG A 148 -6.936 -7.698 -9.779 1.00 44.54 N ATOM 0 H ARG A 148 -5.759 -5.588 -3.584 1.00 33.21 H new ATOM 0 HA ARG A 148 -6.638 -3.285 -4.936 1.00 15.11 H new ATOM 0 HB2 ARG A 148 -6.517 -5.416 -6.087 1.00 54.22 H new ATOM 0 HB3 ARG A 148 -7.579 -6.189 -4.927 1.00 54.22 H new ATOM 0 HG2 ARG A 148 -9.453 -4.649 -5.750 1.00 30.51 H new ATOM 0 HG3 ARG A 148 -8.369 -4.109 -7.017 1.00 30.51 H new ATOM 0 HD2 ARG A 148 -9.099 -7.037 -6.620 1.00 51.20 H new ATOM 0 HD3 ARG A 148 -10.032 -5.959 -7.639 1.00 51.20 H new ATOM 0 HE ARG A 148 -7.859 -5.606 -8.949 1.00 74.22 H new ATOM 0 HH11 ARG A 148 -8.162 -8.491 -6.983 1.00 31.22 H new ATOM 0 HH12 ARG A 148 -7.248 -9.474 -8.132 1.00 31.22 H new ATOM 0 HH21 ARG A 148 -6.844 -6.904 -10.413 1.00 44.54 H new ATOM 0 HH22 ARG A 148 -6.521 -8.597 -10.024 1.00 44.54 H new ATOM 2302 N GLU A 149 -8.818 -4.463 -2.693 1.00 73.03 N ATOM 2303 CA GLU A 149 -10.042 -4.164 -1.893 1.00 60.34 C ATOM 2304 C GLU A 149 -9.834 -2.923 -0.996 1.00 75.33 C ATOM 2305 O GLU A 149 -10.772 -2.156 -0.745 1.00 22.13 O ATOM 2306 CB GLU A 149 -10.425 -5.401 -1.039 1.00 63.22 C ATOM 2307 CG GLU A 149 -10.785 -6.647 -1.871 1.00 53.22 C ATOM 2308 CD GLU A 149 -10.978 -7.908 -1.013 1.00 70.14 C ATOM 2309 OE1 GLU A 149 -9.988 -8.378 -0.408 1.00 12.04 O ATOM 2310 OE2 GLU A 149 -12.107 -8.449 -0.958 1.00 13.31 O ATOM 0 H GLU A 149 -8.344 -5.319 -2.404 1.00 73.03 H new ATOM 0 HA GLU A 149 -10.858 -3.939 -2.579 1.00 60.34 H new ATOM 0 HB2 GLU A 149 -9.593 -5.645 -0.378 1.00 63.22 H new ATOM 0 HB3 GLU A 149 -11.272 -5.143 -0.404 1.00 63.22 H new ATOM 0 HG2 GLU A 149 -11.700 -6.451 -2.430 1.00 53.22 H new ATOM 0 HG3 GLU A 149 -9.997 -6.829 -2.602 1.00 53.22 H new ATOM 2317 N ALA A 150 -8.589 -2.755 -0.516 1.00 51.12 N ATOM 2318 CA ALA A 150 -8.143 -1.535 0.191 1.00 61.24 C ATOM 2319 C ALA A 150 -8.251 -0.287 -0.733 1.00 21.43 C ATOM 2320 O ALA A 150 -8.668 0.791 -0.305 1.00 4.23 O ATOM 2321 CB ALA A 150 -6.698 -1.727 0.691 1.00 63.13 C ATOM 0 H ALA A 150 -7.859 -3.462 -0.606 1.00 51.12 H new ATOM 0 HA ALA A 150 -8.794 -1.365 1.049 1.00 61.24 H new ATOM 0 HB1 ALA A 150 -6.371 -0.827 1.212 1.00 63.13 H new ATOM 0 HB2 ALA A 150 -6.659 -2.576 1.374 1.00 63.13 H new ATOM 0 HB3 ALA A 150 -6.041 -1.914 -0.158 1.00 63.13 H new ATOM 2327 N ILE A 151 -7.883 -0.476 -2.016 1.00 3.21 N ATOM 2328 CA ILE A 151 -7.926 0.581 -3.061 1.00 43.30 C ATOM 2329 C ILE A 151 -9.376 0.835 -3.572 1.00 0.04 C ATOM 2330 O ILE A 151 -9.722 1.950 -3.990 1.00 11.10 O ATOM 2331 CB ILE A 151 -6.942 0.206 -4.231 1.00 60.53 C ATOM 2332 CG1 ILE A 151 -5.477 0.112 -3.684 1.00 54.42 C ATOM 2333 CG2 ILE A 151 -7.024 1.201 -5.414 1.00 51.00 C ATOM 2334 CD1 ILE A 151 -4.472 -0.481 -4.651 1.00 32.12 C ATOM 0 H ILE A 151 -7.544 -1.372 -2.365 1.00 3.21 H new ATOM 0 HA ILE A 151 -7.595 1.521 -2.620 1.00 43.30 H new ATOM 0 HB ILE A 151 -7.246 -0.766 -4.620 1.00 60.53 H new ATOM 0 HG12 ILE A 151 -5.144 1.112 -3.404 1.00 54.42 H new ATOM 0 HG13 ILE A 151 -5.482 -0.488 -2.774 1.00 54.42 H new ATOM 0 HG21 ILE A 151 -6.326 0.897 -6.194 1.00 51.00 H new ATOM 0 HG22 ILE A 151 -8.037 1.206 -5.816 1.00 51.00 H new ATOM 0 HG23 ILE A 151 -6.767 2.202 -5.066 1.00 51.00 H new ATOM 0 HD11 ILE A 151 -3.488 -0.505 -4.184 1.00 32.12 H new ATOM 0 HD12 ILE A 151 -4.774 -1.495 -4.913 1.00 32.12 H new ATOM 0 HD13 ILE A 151 -4.431 0.130 -5.553 1.00 32.12 H new ATOM 2346 N GLU A 152 -10.223 -0.200 -3.505 1.00 72.02 N ATOM 2347 CA GLU A 152 -11.683 -0.068 -3.727 1.00 10.34 C ATOM 2348 C GLU A 152 -12.336 0.742 -2.594 1.00 20.43 C ATOM 2349 O GLU A 152 -13.359 1.409 -2.799 1.00 45.14 O ATOM 2350 CB GLU A 152 -12.340 -1.469 -3.860 1.00 62.10 C ATOM 2351 CG GLU A 152 -12.110 -2.159 -5.227 1.00 40.15 C ATOM 2352 CD GLU A 152 -12.914 -1.509 -6.373 1.00 24.12 C ATOM 2353 OE1 GLU A 152 -12.522 -0.425 -6.860 1.00 21.45 O ATOM 2354 OE2 GLU A 152 -13.948 -2.079 -6.793 1.00 33.30 O ATOM 0 H GLU A 152 -9.925 -1.153 -3.297 1.00 72.02 H new ATOM 0 HA GLU A 152 -11.843 0.473 -4.660 1.00 10.34 H new ATOM 0 HB2 GLU A 152 -11.952 -2.114 -3.072 1.00 62.10 H new ATOM 0 HB3 GLU A 152 -13.413 -1.371 -3.693 1.00 62.10 H new ATOM 0 HG2 GLU A 152 -11.048 -2.125 -5.471 1.00 40.15 H new ATOM 0 HG3 GLU A 152 -12.386 -3.211 -5.148 1.00 40.15 H new ATOM 2361 N GLN A 153 -11.719 0.691 -1.398 1.00 51.24 N ATOM 2362 CA GLN A 153 -12.158 1.484 -0.249 1.00 60.13 C ATOM 2363 C GLN A 153 -11.500 2.890 -0.263 1.00 12.33 C ATOM 2364 O GLN A 153 -12.014 3.789 0.371 1.00 75.24 O ATOM 2365 CB GLN A 153 -11.909 0.726 1.082 1.00 54.31 C ATOM 2366 CG GLN A 153 -12.590 1.375 2.318 1.00 53.21 C ATOM 2367 CD GLN A 153 -12.662 0.446 3.531 1.00 63.30 C ATOM 2368 OE1 GLN A 153 -11.649 0.461 4.354 1.00 33.41 O flip ATOM 2369 NE2 GLN A 153 -13.627 -0.275 3.721 1.00 61.24 N flip ATOM 0 H GLN A 153 -10.909 0.101 -1.208 1.00 51.24 H new ATOM 0 HA GLN A 153 -13.235 1.636 -0.326 1.00 60.13 H new ATOM 0 HB2 GLN A 153 -12.269 -0.297 0.978 1.00 54.31 H new ATOM 0 HB3 GLN A 153 -10.835 0.669 1.260 1.00 54.31 H new ATOM 0 HG2 GLN A 153 -12.043 2.277 2.593 1.00 53.21 H new ATOM 0 HG3 GLN A 153 -13.599 1.684 2.046 1.00 53.21 H new ATOM 0 HE21 GLN A 153 -14.406 -0.268 3.063 1.00 61.24 H new ATOM 0 HE22 GLN A 153 -13.655 -0.885 4.538 1.00 61.24 H new ATOM 2378 N ILE A 154 -10.377 3.087 -1.014 1.00 30.44 N ATOM 2379 CA ILE A 154 -9.861 4.459 -1.338 1.00 63.42 C ATOM 2380 C ILE A 154 -10.926 5.241 -2.127 1.00 12.31 C ATOM 2381 O ILE A 154 -11.169 6.427 -1.869 1.00 0.35 O ATOM 2382 CB ILE A 154 -8.534 4.451 -2.193 1.00 20.34 C ATOM 2383 CG1 ILE A 154 -7.369 3.812 -1.406 1.00 3.13 C ATOM 2384 CG2 ILE A 154 -8.150 5.881 -2.678 1.00 34.13 C ATOM 2385 CD1 ILE A 154 -6.060 3.711 -2.174 1.00 75.14 C ATOM 0 H ILE A 154 -9.817 2.328 -1.403 1.00 30.44 H new ATOM 0 HA ILE A 154 -9.638 4.928 -0.380 1.00 63.42 H new ATOM 0 HB ILE A 154 -8.725 3.843 -3.077 1.00 20.34 H new ATOM 0 HG12 ILE A 154 -7.199 4.394 -0.500 1.00 3.13 H new ATOM 0 HG13 ILE A 154 -7.667 2.812 -1.091 1.00 3.13 H new ATOM 0 HG21 ILE A 154 -7.231 5.832 -3.263 1.00 34.13 H new ATOM 0 HG22 ILE A 154 -8.953 6.283 -3.296 1.00 34.13 H new ATOM 0 HG23 ILE A 154 -7.997 6.529 -1.815 1.00 34.13 H new ATOM 0 HD11 ILE A 154 -5.302 3.250 -1.541 1.00 75.14 H new ATOM 0 HD12 ILE A 154 -6.208 3.102 -3.066 1.00 75.14 H new ATOM 0 HD13 ILE A 154 -5.732 4.708 -2.466 1.00 75.14 H new ATOM 2397 N ASP A 155 -11.556 4.540 -3.084 1.00 61.12 N ATOM 2398 CA ASP A 155 -12.647 5.087 -3.899 1.00 31.41 C ATOM 2399 C ASP A 155 -13.828 5.489 -2.974 1.00 3.25 C ATOM 2400 O ASP A 155 -14.495 6.479 -3.208 1.00 73.24 O ATOM 2401 CB ASP A 155 -13.067 4.029 -4.961 1.00 33.30 C ATOM 2402 CG ASP A 155 -13.783 4.637 -6.177 1.00 4.32 C ATOM 2403 OD1 ASP A 155 -15.011 4.857 -6.115 1.00 54.41 O ATOM 2404 OD2 ASP A 155 -13.108 4.894 -7.208 1.00 22.55 O ATOM 0 H ASP A 155 -11.320 3.574 -3.313 1.00 61.12 H new ATOM 0 HA ASP A 155 -12.323 5.983 -4.428 1.00 31.41 H new ATOM 0 HB2 ASP A 155 -12.180 3.494 -5.301 1.00 33.30 H new ATOM 0 HB3 ASP A 155 -13.722 3.295 -4.492 1.00 33.30 H new ATOM 2409 N ALA A 156 -14.020 4.714 -1.894 1.00 3.22 N ATOM 2410 CA ALA A 156 -15.002 5.018 -0.826 1.00 45.01 C ATOM 2411 C ALA A 156 -14.526 6.147 0.132 1.00 25.03 C ATOM 2412 O ALA A 156 -15.352 6.842 0.687 1.00 55.01 O ATOM 2413 CB ALA A 156 -15.333 3.740 -0.030 1.00 21.21 C ATOM 0 H ALA A 156 -13.498 3.853 -1.731 1.00 3.22 H new ATOM 0 HA ALA A 156 -15.902 5.386 -1.318 1.00 45.01 H new ATOM 0 HB1 ALA A 156 -16.055 3.975 0.752 1.00 21.21 H new ATOM 0 HB2 ALA A 156 -15.755 2.992 -0.701 1.00 21.21 H new ATOM 0 HB3 ALA A 156 -14.423 3.348 0.423 1.00 21.21 H new ATOM 2419 N VAL A 157 -13.200 6.294 0.350 1.00 65.42 N ATOM 2420 CA VAL A 157 -12.632 7.345 1.256 1.00 61.35 C ATOM 2421 C VAL A 157 -12.817 8.751 0.641 1.00 13.54 C ATOM 2422 O VAL A 157 -13.221 9.705 1.321 1.00 20.23 O ATOM 2423 CB VAL A 157 -11.096 7.087 1.562 1.00 30.12 C ATOM 2424 CG1 VAL A 157 -10.402 8.297 2.256 1.00 74.31 C ATOM 2425 CG2 VAL A 157 -10.911 5.815 2.420 1.00 0.34 C ATOM 0 H VAL A 157 -12.493 5.702 -0.085 1.00 65.42 H new ATOM 0 HA VAL A 157 -13.178 7.291 2.198 1.00 61.35 H new ATOM 0 HB VAL A 157 -10.614 6.948 0.594 1.00 30.12 H new ATOM 0 HG11 VAL A 157 -9.354 8.059 2.439 1.00 74.31 H new ATOM 0 HG12 VAL A 157 -10.468 9.173 1.611 1.00 74.31 H new ATOM 0 HG13 VAL A 157 -10.898 8.506 3.204 1.00 74.31 H new ATOM 0 HG21 VAL A 157 -9.850 5.660 2.616 1.00 0.34 H new ATOM 0 HG22 VAL A 157 -11.441 5.933 3.365 1.00 0.34 H new ATOM 0 HG23 VAL A 157 -11.311 4.954 1.885 1.00 0.34 H new ATOM 2435 N LEU A 158 -12.542 8.843 -0.668 1.00 24.31 N ATOM 2436 CA LEU A 158 -12.539 10.119 -1.404 1.00 54.22 C ATOM 2437 C LEU A 158 -13.962 10.482 -1.906 1.00 70.14 C ATOM 2438 O LEU A 158 -14.315 11.665 -1.990 1.00 22.21 O ATOM 2439 CB LEU A 158 -11.533 10.037 -2.591 1.00 23.15 C ATOM 2440 CG LEU A 158 -10.078 9.577 -2.226 1.00 51.40 C ATOM 2441 CD1 LEU A 158 -9.165 9.541 -3.467 1.00 34.13 C ATOM 2442 CD2 LEU A 158 -9.460 10.444 -1.106 1.00 41.33 C ATOM 0 H LEU A 158 -12.315 8.035 -1.248 1.00 24.31 H new ATOM 0 HA LEU A 158 -12.223 10.912 -0.726 1.00 54.22 H new ATOM 0 HB2 LEU A 158 -11.935 9.349 -3.335 1.00 23.15 H new ATOM 0 HB3 LEU A 158 -11.476 11.018 -3.062 1.00 23.15 H new ATOM 0 HG LEU A 158 -10.158 8.560 -1.843 1.00 51.40 H new ATOM 0 HD11 LEU A 158 -8.166 9.218 -3.174 1.00 34.13 H new ATOM 0 HD12 LEU A 158 -9.572 8.843 -4.198 1.00 34.13 H new ATOM 0 HD13 LEU A 158 -9.110 10.537 -3.907 1.00 34.13 H new ATOM 0 HD21 LEU A 158 -8.453 10.090 -0.886 1.00 41.33 H new ATOM 0 HD22 LEU A 158 -9.416 11.483 -1.433 1.00 41.33 H new ATOM 0 HD23 LEU A 158 -10.075 10.371 -0.209 1.00 41.33 H new ATOM 2454 N SER A 159 -14.769 9.446 -2.227 1.00 22.13 N ATOM 2455 CA SER A 159 -16.144 9.604 -2.791 1.00 60.50 C ATOM 2456 C SER A 159 -17.230 9.195 -1.765 1.00 24.20 C ATOM 2457 O SER A 159 -18.338 8.798 -2.159 1.00 55.41 O ATOM 2458 CB SER A 159 -16.277 8.726 -4.068 1.00 34.20 C ATOM 2459 OG SER A 159 -17.345 9.159 -4.906 1.00 50.22 O ATOM 0 H SER A 159 -14.492 8.472 -2.105 1.00 22.13 H new ATOM 0 HA SER A 159 -16.294 10.655 -3.037 1.00 60.50 H new ATOM 0 HB2 SER A 159 -15.342 8.757 -4.628 1.00 34.20 H new ATOM 0 HB3 SER A 159 -16.442 7.688 -3.779 1.00 34.20 H new ATOM 0 HG SER A 159 -18.162 9.251 -4.373 1.00 50.22 H new