USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=31 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 80 THR OG1 : rot 140:sc= -0.178 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 109 HIS : no HE2:sc= -1.98 X(o=-2.2,f=-1.7!) USER MOD Set 2.1: A 108 THR OG1 : rot -118:sc= 1.11 USER MOD Set 2.2: A 127 SER OG : rot 87:sc= 0.998 USER MOD Single : A 4 SER OG : rot -104:sc= 0.23 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0.573 (180deg=0.521) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 0.525 (180deg=0.0978) USER MOD Single : A 36 GLN : amide:sc= -0.756 K(o=-0.76,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 53 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-1.5) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0471 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -165:sc= -0.0725 (180deg=-0.42) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 87 HIS : no HD1:sc= -0.0811 K(o=-0.073,f=-0.86) USER MOD Single : A 98 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -107:sc= -1.03 (180deg=-3.43!) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 121 THR OG1 : rot 81:sc= 0.526 USER MOD Single : A 123 MET CE :methyl -116:sc= -0.714 (180deg=-2.41) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 48:sc= -1.33 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0.295 K(o=0.3,f=-2.3) USER MOD Single : A 135 MET CE :methyl -176:sc= -0.4 (180deg=-0.435) USER MOD Single : A 136 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.3) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 132:sc= -0.101 (180deg=-1.83!) USER MOD Single : A 141 MET CE :methyl -165:sc= -0.0315 (180deg=-0.318) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 MET CE :methyl 177:sc= 0 (180deg=-0.0102) USER MOD Single : A 153 GLN : amide:sc= -4.5! K(o=-4.5!,f=-1) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -9.596 0.384 -9.755 1.00 43.01 N ATOM 18 CA VAL A 2 -8.485 -0.496 -10.177 1.00 53.21 C ATOM 19 C VAL A 2 -8.618 -0.831 -11.689 1.00 31.13 C ATOM 20 O VAL A 2 -9.067 -1.916 -12.085 1.00 23.32 O ATOM 21 CB VAL A 2 -8.331 -1.779 -9.264 1.00 14.10 C ATOM 22 CG1 VAL A 2 -7.208 -2.718 -9.764 1.00 32.05 C ATOM 23 CG2 VAL A 2 -8.054 -1.382 -7.796 1.00 72.43 C ATOM 0 HA VAL A 2 -7.551 0.049 -10.038 1.00 53.21 H new ATOM 0 HB VAL A 2 -9.277 -2.318 -9.322 1.00 14.10 H new ATOM 0 HG11 VAL A 2 -7.139 -3.585 -9.107 1.00 32.05 H new ATOM 0 HG12 VAL A 2 -7.434 -3.048 -10.778 1.00 32.05 H new ATOM 0 HG13 VAL A 2 -6.258 -2.183 -9.760 1.00 32.05 H new ATOM 0 HG21 VAL A 2 -7.952 -2.281 -7.189 1.00 72.43 H new ATOM 0 HG22 VAL A 2 -7.132 -0.802 -7.744 1.00 72.43 H new ATOM 0 HG23 VAL A 2 -8.882 -0.782 -7.419 1.00 72.43 H new ATOM 33 N VAL A 3 -8.294 0.176 -12.518 1.00 72.02 N ATOM 34 CA VAL A 3 -8.494 0.130 -13.983 1.00 55.52 C ATOM 35 C VAL A 3 -7.530 -0.860 -14.697 1.00 4.21 C ATOM 36 O VAL A 3 -7.795 -1.276 -15.829 1.00 12.12 O ATOM 37 CB VAL A 3 -8.376 1.573 -14.613 1.00 52.10 C ATOM 38 CG1 VAL A 3 -9.521 2.492 -14.117 1.00 24.22 C ATOM 39 CG2 VAL A 3 -6.998 2.209 -14.305 1.00 73.43 C ATOM 0 H VAL A 3 -7.884 1.051 -12.192 1.00 72.02 H new ATOM 0 HA VAL A 3 -9.504 -0.246 -14.144 1.00 55.52 H new ATOM 0 HB VAL A 3 -8.466 1.467 -15.694 1.00 52.10 H new ATOM 0 HG11 VAL A 3 -9.416 3.479 -14.566 1.00 24.22 H new ATOM 0 HG12 VAL A 3 -10.481 2.064 -14.404 1.00 24.22 H new ATOM 0 HG13 VAL A 3 -9.473 2.580 -13.032 1.00 24.22 H new ATOM 0 HG21 VAL A 3 -6.947 3.202 -14.752 1.00 73.43 H new ATOM 0 HG22 VAL A 3 -6.868 2.290 -13.226 1.00 73.43 H new ATOM 0 HG23 VAL A 3 -6.208 1.584 -14.720 1.00 73.43 H new ATOM 49 N SER A 4 -6.423 -1.232 -14.023 1.00 42.33 N ATOM 50 CA SER A 4 -5.475 -2.259 -14.525 1.00 34.32 C ATOM 51 C SER A 4 -4.733 -2.939 -13.352 1.00 63.23 C ATOM 52 O SER A 4 -4.441 -2.296 -12.342 1.00 3.34 O ATOM 53 CB SER A 4 -4.447 -1.632 -15.502 1.00 13.33 C ATOM 54 OG SER A 4 -3.562 -2.611 -16.030 1.00 51.42 O ATOM 0 H SER A 4 -6.158 -0.835 -13.122 1.00 42.33 H new ATOM 0 HA SER A 4 -6.054 -3.011 -15.061 1.00 34.32 H new ATOM 0 HB2 SER A 4 -4.974 -1.139 -16.319 1.00 13.33 H new ATOM 0 HB3 SER A 4 -3.873 -0.864 -14.984 1.00 13.33 H new ATOM 0 HG SER A 4 -2.690 -2.536 -15.589 1.00 51.42 H new ATOM 60 N VAL A 5 -4.468 -4.254 -13.483 1.00 65.15 N ATOM 61 CA VAL A 5 -3.621 -5.020 -12.529 1.00 43.42 C ATOM 62 C VAL A 5 -2.456 -5.667 -13.314 1.00 74.31 C ATOM 63 O VAL A 5 -2.648 -6.685 -13.985 1.00 72.33 O ATOM 64 CB VAL A 5 -4.436 -6.152 -11.771 1.00 34.51 C ATOM 65 CG1 VAL A 5 -3.589 -6.805 -10.643 1.00 72.33 C ATOM 66 CG2 VAL A 5 -5.767 -5.616 -11.206 1.00 60.34 C ATOM 0 H VAL A 5 -4.831 -4.820 -14.250 1.00 65.15 H new ATOM 0 HA VAL A 5 -3.251 -4.326 -11.774 1.00 43.42 H new ATOM 0 HB VAL A 5 -4.670 -6.920 -12.508 1.00 34.51 H new ATOM 0 HG11 VAL A 5 -4.178 -7.575 -10.145 1.00 72.33 H new ATOM 0 HG12 VAL A 5 -2.694 -7.254 -11.074 1.00 72.33 H new ATOM 0 HG13 VAL A 5 -3.300 -6.044 -9.918 1.00 72.33 H new ATOM 0 HG21 VAL A 5 -6.295 -6.421 -10.695 1.00 60.34 H new ATOM 0 HG22 VAL A 5 -5.565 -4.809 -10.501 1.00 60.34 H new ATOM 0 HG23 VAL A 5 -6.383 -5.239 -12.022 1.00 60.34 H new ATOM 76 N ASP A 6 -1.261 -5.062 -13.250 1.00 44.32 N ATOM 77 CA ASP A 6 -0.080 -5.557 -13.992 1.00 44.32 C ATOM 78 C ASP A 6 0.791 -6.430 -13.068 1.00 3.14 C ATOM 79 O ASP A 6 1.440 -5.916 -12.170 1.00 40.34 O ATOM 80 CB ASP A 6 0.736 -4.352 -14.521 1.00 71.34 C ATOM 81 CG ASP A 6 -0.132 -3.384 -15.336 1.00 3.33 C ATOM 82 OD1 ASP A 6 -0.726 -2.455 -14.743 1.00 12.33 O ATOM 83 OD2 ASP A 6 -0.258 -3.566 -16.564 1.00 42.34 O ATOM 0 H ASP A 6 -1.081 -4.227 -12.692 1.00 44.32 H new ATOM 0 HA ASP A 6 -0.407 -6.164 -14.836 1.00 44.32 H new ATOM 0 HB2 ASP A 6 1.182 -3.820 -13.681 1.00 71.34 H new ATOM 0 HB3 ASP A 6 1.556 -4.714 -15.141 1.00 71.34 H new ATOM 88 N LYS A 7 0.838 -7.745 -13.312 1.00 44.21 N ATOM 89 CA LYS A 7 1.567 -8.690 -12.437 1.00 75.44 C ATOM 90 C LYS A 7 2.619 -9.462 -13.248 1.00 71.13 C ATOM 91 O LYS A 7 2.279 -10.198 -14.179 1.00 54.13 O ATOM 92 CB LYS A 7 0.572 -9.664 -11.760 1.00 31.40 C ATOM 93 CG LYS A 7 1.209 -10.606 -10.706 1.00 74.33 C ATOM 94 CD LYS A 7 0.173 -11.552 -10.068 1.00 23.11 C ATOM 95 CE LYS A 7 0.773 -12.465 -8.985 1.00 3.41 C ATOM 96 NZ LYS A 7 -0.262 -13.345 -8.385 1.00 52.53 N ATOM 0 H LYS A 7 0.380 -8.187 -14.109 1.00 44.21 H new ATOM 0 HA LYS A 7 2.082 -8.127 -11.658 1.00 75.44 H new ATOM 0 HB2 LYS A 7 -0.216 -9.083 -11.280 1.00 31.40 H new ATOM 0 HB3 LYS A 7 0.096 -10.271 -12.530 1.00 31.40 H new ATOM 0 HG2 LYS A 7 1.995 -11.196 -11.177 1.00 74.33 H new ATOM 0 HG3 LYS A 7 1.682 -10.009 -9.926 1.00 74.33 H new ATOM 0 HD2 LYS A 7 -0.630 -10.959 -9.630 1.00 23.11 H new ATOM 0 HD3 LYS A 7 -0.275 -12.169 -10.847 1.00 23.11 H new ATOM 0 HE2 LYS A 7 1.565 -13.075 -9.419 1.00 3.41 H new ATOM 0 HE3 LYS A 7 1.231 -11.856 -8.206 1.00 3.41 H new ATOM 0 HZ1 LYS A 7 0.131 -13.824 -7.550 1.00 52.53 H new ATOM 0 HZ2 LYS A 7 -1.083 -12.772 -8.102 1.00 52.53 H new ATOM 0 HZ3 LYS A 7 -0.560 -14.056 -9.083 1.00 52.53 H new ATOM 110 N ASP A 8 3.894 -9.288 -12.878 1.00 63.22 N ATOM 111 CA ASP A 8 5.025 -9.973 -13.534 1.00 42.32 C ATOM 112 C ASP A 8 5.902 -10.686 -12.476 1.00 11.43 C ATOM 113 O ASP A 8 6.687 -10.052 -11.762 1.00 41.22 O ATOM 114 CB ASP A 8 5.849 -8.958 -14.368 1.00 54.32 C ATOM 115 CG ASP A 8 6.865 -9.643 -15.297 1.00 75.04 C ATOM 116 OD1 ASP A 8 6.450 -10.207 -16.334 1.00 54.35 O ATOM 117 OD2 ASP A 8 8.069 -9.640 -14.997 1.00 50.22 O ATOM 0 H ASP A 8 4.175 -8.670 -12.117 1.00 63.22 H new ATOM 0 HA ASP A 8 4.642 -10.733 -14.215 1.00 42.32 H new ATOM 0 HB2 ASP A 8 5.171 -8.348 -14.964 1.00 54.32 H new ATOM 0 HB3 ASP A 8 6.376 -8.283 -13.694 1.00 54.32 H new ATOM 122 N VAL A 9 5.737 -12.015 -12.395 1.00 34.12 N ATOM 123 CA VAL A 9 6.458 -12.886 -11.435 1.00 74.20 C ATOM 124 C VAL A 9 7.959 -13.040 -11.827 1.00 73.30 C ATOM 125 O VAL A 9 8.801 -13.358 -10.987 1.00 25.33 O ATOM 126 CB VAL A 9 5.761 -14.302 -11.341 1.00 74.03 C ATOM 127 CG1 VAL A 9 6.403 -15.214 -10.257 1.00 32.41 C ATOM 128 CG2 VAL A 9 4.236 -14.152 -11.101 1.00 41.34 C ATOM 0 H VAL A 9 5.094 -12.528 -12.998 1.00 34.12 H new ATOM 0 HA VAL A 9 6.416 -12.411 -10.455 1.00 74.20 H new ATOM 0 HB VAL A 9 5.918 -14.794 -12.301 1.00 74.03 H new ATOM 0 HG11 VAL A 9 5.886 -16.173 -10.236 1.00 32.41 H new ATOM 0 HG12 VAL A 9 7.455 -15.374 -10.493 1.00 32.41 H new ATOM 0 HG13 VAL A 9 6.319 -14.735 -9.282 1.00 32.41 H new ATOM 0 HG21 VAL A 9 3.778 -15.139 -11.040 1.00 41.34 H new ATOM 0 HG22 VAL A 9 4.066 -13.615 -10.168 1.00 41.34 H new ATOM 0 HG23 VAL A 9 3.791 -13.596 -11.926 1.00 41.34 H new ATOM 138 N GLU A 10 8.277 -12.784 -13.111 1.00 42.55 N ATOM 139 CA GLU A 10 9.664 -12.865 -13.643 1.00 64.10 C ATOM 140 C GLU A 10 10.561 -11.803 -12.956 1.00 72.02 C ATOM 141 O GLU A 10 11.614 -12.111 -12.395 1.00 3.14 O ATOM 142 CB GLU A 10 9.678 -12.643 -15.191 1.00 3.31 C ATOM 143 CG GLU A 10 8.454 -13.186 -15.963 1.00 54.01 C ATOM 144 CD GLU A 10 8.215 -14.698 -15.811 1.00 74.21 C ATOM 145 OE1 GLU A 10 8.832 -15.486 -16.557 1.00 33.41 O ATOM 146 OE2 GLU A 10 7.385 -15.104 -14.965 1.00 13.22 O ATOM 0 H GLU A 10 7.586 -12.515 -13.812 1.00 42.55 H new ATOM 0 HA GLU A 10 10.053 -13.860 -13.429 1.00 64.10 H new ATOM 0 HB2 GLU A 10 9.760 -11.573 -15.384 1.00 3.31 H new ATOM 0 HB3 GLU A 10 10.575 -13.110 -15.597 1.00 3.31 H new ATOM 0 HG2 GLU A 10 7.564 -12.656 -15.624 1.00 54.01 H new ATOM 0 HG3 GLU A 10 8.578 -12.957 -17.021 1.00 54.01 H new ATOM 153 N ALA A 11 10.081 -10.545 -12.996 1.00 42.03 N ATOM 154 CA ALA A 11 10.757 -9.373 -12.381 1.00 45.11 C ATOM 155 C ALA A 11 10.368 -9.198 -10.894 1.00 12.14 C ATOM 156 O ALA A 11 10.896 -8.301 -10.216 1.00 54.01 O ATOM 157 CB ALA A 11 10.413 -8.096 -13.166 1.00 14.45 C ATOM 0 H ALA A 11 9.205 -10.305 -13.460 1.00 42.03 H new ATOM 0 HA ALA A 11 11.831 -9.552 -12.424 1.00 45.11 H new ATOM 0 HB1 ALA A 11 10.913 -7.242 -12.708 1.00 14.45 H new ATOM 0 HB2 ALA A 11 10.748 -8.202 -14.198 1.00 14.45 H new ATOM 0 HB3 ALA A 11 9.335 -7.938 -13.149 1.00 14.45 H new ATOM 163 N LEU A 12 9.435 -10.061 -10.416 1.00 10.32 N ATOM 164 CA LEU A 12 8.918 -10.056 -9.025 1.00 2.41 C ATOM 165 C LEU A 12 8.262 -8.705 -8.651 1.00 1.43 C ATOM 166 O LEU A 12 8.360 -8.243 -7.521 1.00 41.14 O ATOM 167 CB LEU A 12 10.062 -10.442 -8.044 1.00 54.54 C ATOM 168 CG LEU A 12 10.688 -11.849 -8.289 1.00 53.03 C ATOM 169 CD1 LEU A 12 11.968 -12.048 -7.463 1.00 24.24 C ATOM 170 CD2 LEU A 12 9.664 -12.961 -8.002 1.00 12.02 C ATOM 0 H LEU A 12 9.016 -10.789 -10.995 1.00 10.32 H new ATOM 0 HA LEU A 12 8.126 -10.801 -8.947 1.00 2.41 H new ATOM 0 HB2 LEU A 12 10.850 -9.692 -8.114 1.00 54.54 H new ATOM 0 HB3 LEU A 12 9.676 -10.404 -7.025 1.00 54.54 H new ATOM 0 HG LEU A 12 10.967 -11.909 -9.341 1.00 53.03 H new ATOM 0 HD11 LEU A 12 12.377 -13.039 -7.659 1.00 24.24 H new ATOM 0 HD12 LEU A 12 12.702 -11.291 -7.741 1.00 24.24 H new ATOM 0 HD13 LEU A 12 11.735 -11.955 -6.402 1.00 24.24 H new ATOM 0 HD21 LEU A 12 10.123 -13.933 -8.180 1.00 12.02 H new ATOM 0 HD22 LEU A 12 9.339 -12.897 -6.963 1.00 12.02 H new ATOM 0 HD23 LEU A 12 8.803 -12.841 -8.659 1.00 12.02 H new ATOM 182 N SER A 13 7.571 -8.097 -9.620 1.00 43.41 N ATOM 183 CA SER A 13 6.896 -6.794 -9.441 1.00 41.43 C ATOM 184 C SER A 13 5.373 -6.936 -9.632 1.00 54.23 C ATOM 185 O SER A 13 4.904 -7.527 -10.613 1.00 30.10 O ATOM 186 CB SER A 13 7.474 -5.748 -10.420 1.00 12.32 C ATOM 187 OG SER A 13 7.371 -6.166 -11.779 1.00 60.33 O ATOM 0 H SER A 13 7.460 -8.490 -10.555 1.00 43.41 H new ATOM 0 HA SER A 13 7.078 -6.450 -8.423 1.00 41.43 H new ATOM 0 HB2 SER A 13 6.947 -4.803 -10.292 1.00 12.32 H new ATOM 0 HB3 SER A 13 8.521 -5.565 -10.177 1.00 12.32 H new ATOM 0 HG SER A 13 7.747 -5.475 -12.363 1.00 60.33 H new ATOM 193 N PHE A 14 4.611 -6.395 -8.676 1.00 21.14 N ATOM 194 CA PHE A 14 3.140 -6.411 -8.690 1.00 24.43 C ATOM 195 C PHE A 14 2.591 -4.960 -8.654 1.00 42.53 C ATOM 196 O PHE A 14 2.656 -4.279 -7.637 1.00 15.45 O ATOM 197 CB PHE A 14 2.631 -7.259 -7.499 1.00 75.44 C ATOM 198 CG PHE A 14 1.126 -7.205 -7.280 1.00 1.24 C ATOM 199 CD1 PHE A 14 0.248 -7.653 -8.261 1.00 5.31 C ATOM 200 CD2 PHE A 14 0.595 -6.685 -6.097 1.00 62.22 C ATOM 201 CE1 PHE A 14 -1.115 -7.585 -8.068 1.00 4.22 C ATOM 202 CE2 PHE A 14 -0.765 -6.623 -5.904 1.00 13.51 C ATOM 203 CZ PHE A 14 -1.619 -7.066 -6.889 1.00 12.44 C ATOM 0 H PHE A 14 5.002 -5.927 -7.858 1.00 21.14 H new ATOM 0 HA PHE A 14 2.776 -6.868 -9.610 1.00 24.43 H new ATOM 0 HB2 PHE A 14 2.925 -8.297 -7.657 1.00 75.44 H new ATOM 0 HB3 PHE A 14 3.129 -6.921 -6.590 1.00 75.44 H new ATOM 0 HD1 PHE A 14 0.638 -8.058 -9.183 1.00 5.31 H new ATOM 0 HD2 PHE A 14 1.260 -6.328 -5.325 1.00 62.22 H new ATOM 0 HE1 PHE A 14 -1.788 -7.936 -8.836 1.00 4.22 H new ATOM 0 HE2 PHE A 14 -1.163 -6.227 -4.981 1.00 13.51 H new ATOM 0 HZ PHE A 14 -2.687 -7.008 -6.740 1.00 12.44 H new ATOM 213 N SER A 15 2.044 -4.519 -9.789 1.00 53.34 N ATOM 214 CA SER A 15 1.559 -3.142 -10.009 1.00 14.52 C ATOM 215 C SER A 15 0.017 -3.076 -10.040 1.00 32.32 C ATOM 216 O SER A 15 -0.643 -3.944 -10.619 1.00 24.42 O ATOM 217 CB SER A 15 2.131 -2.603 -11.339 1.00 73.21 C ATOM 218 OG SER A 15 1.663 -1.295 -11.626 1.00 55.12 O ATOM 0 H SER A 15 1.920 -5.119 -10.604 1.00 53.34 H new ATOM 0 HA SER A 15 1.900 -2.527 -9.177 1.00 14.52 H new ATOM 0 HB2 SER A 15 3.220 -2.596 -11.289 1.00 73.21 H new ATOM 0 HB3 SER A 15 1.853 -3.274 -12.152 1.00 73.21 H new ATOM 0 HG SER A 15 2.048 -0.988 -12.473 1.00 55.12 H new ATOM 224 N ILE A 16 -0.545 -2.031 -9.406 1.00 54.42 N ATOM 225 CA ILE A 16 -1.999 -1.743 -9.415 1.00 61.43 C ATOM 226 C ILE A 16 -2.241 -0.296 -9.901 1.00 61.42 C ATOM 227 O ILE A 16 -1.816 0.663 -9.246 1.00 42.31 O ATOM 228 CB ILE A 16 -2.641 -1.934 -7.981 1.00 72.43 C ATOM 229 CG1 ILE A 16 -2.454 -3.402 -7.480 1.00 32.25 C ATOM 230 CG2 ILE A 16 -4.143 -1.524 -7.970 1.00 55.04 C ATOM 231 CD1 ILE A 16 -2.937 -3.661 -6.059 1.00 45.45 C ATOM 0 H ILE A 16 -0.003 -1.355 -8.868 1.00 54.42 H new ATOM 0 HA ILE A 16 -2.475 -2.450 -10.095 1.00 61.43 H new ATOM 0 HB ILE A 16 -2.117 -1.272 -7.292 1.00 72.43 H new ATOM 0 HG12 ILE A 16 -2.985 -4.072 -8.156 1.00 32.25 H new ATOM 0 HG13 ILE A 16 -1.397 -3.660 -7.541 1.00 32.25 H new ATOM 0 HG21 ILE A 16 -4.552 -1.668 -6.970 1.00 55.04 H new ATOM 0 HG22 ILE A 16 -4.236 -0.475 -8.253 1.00 55.04 H new ATOM 0 HG23 ILE A 16 -4.694 -2.141 -8.680 1.00 55.04 H new ATOM 0 HD11 ILE A 16 -2.766 -4.706 -5.801 1.00 45.45 H new ATOM 0 HD12 ILE A 16 -2.389 -3.022 -5.366 1.00 45.45 H new ATOM 0 HD13 ILE A 16 -4.002 -3.441 -5.991 1.00 45.45 H new ATOM 243 N VAL A 17 -2.929 -0.151 -11.043 1.00 22.54 N ATOM 244 CA VAL A 17 -3.309 1.159 -11.610 1.00 54.22 C ATOM 245 C VAL A 17 -4.801 1.432 -11.297 1.00 2.10 C ATOM 246 O VAL A 17 -5.657 0.610 -11.620 1.00 71.21 O ATOM 247 CB VAL A 17 -3.077 1.210 -13.169 1.00 72.20 C ATOM 248 CG1 VAL A 17 -3.302 2.641 -13.735 1.00 21.41 C ATOM 249 CG2 VAL A 17 -1.673 0.675 -13.546 1.00 30.51 C ATOM 0 H VAL A 17 -3.241 -0.942 -11.606 1.00 22.54 H new ATOM 0 HA VAL A 17 -2.679 1.924 -11.156 1.00 54.22 H new ATOM 0 HB VAL A 17 -3.818 0.556 -13.629 1.00 72.20 H new ATOM 0 HG11 VAL A 17 -3.133 2.637 -14.812 1.00 21.41 H new ATOM 0 HG12 VAL A 17 -4.325 2.957 -13.529 1.00 21.41 H new ATOM 0 HG13 VAL A 17 -2.606 3.333 -13.261 1.00 21.41 H new ATOM 0 HG21 VAL A 17 -1.544 0.723 -14.627 1.00 30.51 H new ATOM 0 HG22 VAL A 17 -0.910 1.284 -13.062 1.00 30.51 H new ATOM 0 HG23 VAL A 17 -1.577 -0.359 -13.215 1.00 30.51 H new ATOM 259 N ALA A 18 -5.098 2.585 -10.673 1.00 41.31 N ATOM 260 CA ALA A 18 -6.465 2.958 -10.246 1.00 23.03 C ATOM 261 C ALA A 18 -6.689 4.482 -10.365 1.00 30.43 C ATOM 262 O ALA A 18 -5.895 5.271 -9.857 1.00 74.44 O ATOM 263 CB ALA A 18 -6.701 2.483 -8.801 1.00 72.40 C ATOM 0 H ALA A 18 -4.396 3.290 -10.448 1.00 41.31 H new ATOM 0 HA ALA A 18 -7.183 2.469 -10.904 1.00 23.03 H new ATOM 0 HB1 ALA A 18 -7.708 2.758 -8.487 1.00 72.40 H new ATOM 0 HB2 ALA A 18 -6.589 1.400 -8.751 1.00 72.40 H new ATOM 0 HB3 ALA A 18 -5.974 2.954 -8.140 1.00 72.40 H new ATOM 269 N GLU A 19 -7.790 4.885 -11.027 1.00 41.42 N ATOM 270 CA GLU A 19 -8.114 6.314 -11.283 1.00 2.41 C ATOM 271 C GLU A 19 -9.279 6.782 -10.389 1.00 21.32 C ATOM 272 O GLU A 19 -10.301 6.105 -10.293 1.00 20.34 O ATOM 273 CB GLU A 19 -8.480 6.500 -12.772 1.00 64.11 C ATOM 274 CG GLU A 19 -7.358 6.114 -13.751 1.00 4.24 C ATOM 275 CD GLU A 19 -7.758 6.293 -15.221 1.00 52.42 C ATOM 276 OE1 GLU A 19 -7.564 7.401 -15.772 1.00 73.24 O ATOM 277 OE2 GLU A 19 -8.271 5.331 -15.826 1.00 12.24 O ATOM 0 H GLU A 19 -8.483 4.236 -11.401 1.00 41.42 H new ATOM 0 HA GLU A 19 -7.240 6.919 -11.044 1.00 2.41 H new ATOM 0 HB2 GLU A 19 -9.363 5.901 -12.995 1.00 64.11 H new ATOM 0 HB3 GLU A 19 -8.751 7.542 -12.940 1.00 64.11 H new ATOM 0 HG2 GLU A 19 -6.477 6.721 -13.543 1.00 4.24 H new ATOM 0 HG3 GLU A 19 -7.076 5.075 -13.581 1.00 4.24 H new ATOM 284 N PHE A 20 -9.127 7.950 -9.743 1.00 52.23 N ATOM 285 CA PHE A 20 -10.133 8.483 -8.789 1.00 62.44 C ATOM 286 C PHE A 20 -10.433 9.966 -9.077 1.00 5.33 C ATOM 287 O PHE A 20 -9.547 10.721 -9.495 1.00 75.43 O ATOM 288 CB PHE A 20 -9.634 8.315 -7.329 1.00 21.41 C ATOM 289 CG PHE A 20 -9.308 6.871 -6.942 1.00 54.41 C ATOM 290 CD1 PHE A 20 -10.326 5.943 -6.725 1.00 63.02 C ATOM 291 CD2 PHE A 20 -7.984 6.441 -6.811 1.00 63.31 C ATOM 292 CE1 PHE A 20 -10.034 4.633 -6.392 1.00 72.03 C ATOM 293 CE2 PHE A 20 -7.697 5.133 -6.475 1.00 1.11 C ATOM 294 CZ PHE A 20 -8.720 4.230 -6.268 1.00 43.31 C ATOM 0 H PHE A 20 -8.313 8.553 -9.861 1.00 52.23 H new ATOM 0 HA PHE A 20 -11.054 7.915 -8.917 1.00 62.44 H new ATOM 0 HB2 PHE A 20 -8.743 8.927 -7.188 1.00 21.41 H new ATOM 0 HB3 PHE A 20 -10.395 8.699 -6.650 1.00 21.41 H new ATOM 0 HD1 PHE A 20 -11.357 6.252 -6.818 1.00 63.02 H new ATOM 0 HD2 PHE A 20 -7.177 7.140 -6.974 1.00 63.31 H new ATOM 0 HE1 PHE A 20 -10.834 3.926 -6.229 1.00 72.03 H new ATOM 0 HE2 PHE A 20 -6.670 4.816 -6.374 1.00 1.11 H new ATOM 0 HZ PHE A 20 -8.492 3.207 -6.009 1.00 43.31 H new ATOM 304 N ASP A 21 -11.696 10.366 -8.841 1.00 52.24 N ATOM 305 CA ASP A 21 -12.147 11.759 -9.007 1.00 12.42 C ATOM 306 C ASP A 21 -11.709 12.618 -7.798 1.00 13.12 C ATOM 307 O ASP A 21 -12.454 12.803 -6.822 1.00 72.33 O ATOM 308 CB ASP A 21 -13.680 11.784 -9.211 1.00 70.32 C ATOM 309 CG ASP A 21 -14.107 11.158 -10.550 1.00 72.22 C ATOM 310 OD1 ASP A 21 -13.958 9.928 -10.718 1.00 14.12 O ATOM 311 OD2 ASP A 21 -14.576 11.893 -11.448 1.00 62.02 O ATOM 0 H ASP A 21 -12.432 9.732 -8.530 1.00 52.24 H new ATOM 0 HA ASP A 21 -11.681 12.193 -9.892 1.00 12.42 H new ATOM 0 HB2 ASP A 21 -14.161 11.247 -8.393 1.00 70.32 H new ATOM 0 HB3 ASP A 21 -14.032 12.815 -9.167 1.00 70.32 H new ATOM 316 N ALA A 22 -10.461 13.102 -7.892 1.00 13.11 N ATOM 317 CA ALA A 22 -9.786 13.909 -6.854 1.00 73.33 C ATOM 318 C ALA A 22 -8.457 14.459 -7.405 1.00 63.33 C ATOM 319 O ALA A 22 -7.911 13.910 -8.361 1.00 5.23 O ATOM 320 CB ALA A 22 -9.519 13.056 -5.596 1.00 22.33 C ATOM 0 H ALA A 22 -9.875 12.941 -8.711 1.00 13.11 H new ATOM 0 HA ALA A 22 -10.435 14.740 -6.580 1.00 73.33 H new ATOM 0 HB1 ALA A 22 -9.021 13.666 -4.842 1.00 22.33 H new ATOM 0 HB2 ALA A 22 -10.465 12.688 -5.199 1.00 22.33 H new ATOM 0 HB3 ALA A 22 -8.882 12.211 -5.858 1.00 22.33 H new ATOM 326 N ASP A 23 -7.914 15.516 -6.777 1.00 3.24 N ATOM 327 CA ASP A 23 -6.606 16.083 -7.190 1.00 33.31 C ATOM 328 C ASP A 23 -5.448 15.305 -6.537 1.00 34.12 C ATOM 329 O ASP A 23 -5.655 14.548 -5.584 1.00 52.13 O ATOM 330 CB ASP A 23 -6.502 17.587 -6.850 1.00 41.23 C ATOM 331 CG ASP A 23 -6.694 17.886 -5.354 1.00 54.01 C ATOM 332 OD1 ASP A 23 -7.860 17.984 -4.904 1.00 0.35 O ATOM 333 OD2 ASP A 23 -5.685 18.014 -4.621 1.00 21.20 O ATOM 0 H ASP A 23 -8.350 15.995 -5.989 1.00 3.24 H new ATOM 0 HA ASP A 23 -6.533 15.982 -8.273 1.00 33.31 H new ATOM 0 HB2 ASP A 23 -5.527 17.957 -7.165 1.00 41.23 H new ATOM 0 HB3 ASP A 23 -7.251 18.135 -7.422 1.00 41.23 H new ATOM 338 N VAL A 24 -4.233 15.538 -7.050 1.00 24.20 N ATOM 339 CA VAL A 24 -3.008 14.820 -6.633 1.00 61.54 C ATOM 340 C VAL A 24 -2.735 14.938 -5.110 1.00 3.34 C ATOM 341 O VAL A 24 -2.387 13.951 -4.473 1.00 14.54 O ATOM 342 CB VAL A 24 -1.773 15.336 -7.459 1.00 23.15 C ATOM 343 CG1 VAL A 24 -0.461 14.622 -7.065 1.00 73.11 C ATOM 344 CG2 VAL A 24 -2.023 15.184 -8.972 1.00 44.41 C ATOM 0 H VAL A 24 -4.065 16.236 -7.774 1.00 24.20 H new ATOM 0 HA VAL A 24 -3.167 13.762 -6.841 1.00 61.54 H new ATOM 0 HB VAL A 24 -1.656 16.393 -7.219 1.00 23.15 H new ATOM 0 HG11 VAL A 24 0.361 15.014 -7.664 1.00 73.11 H new ATOM 0 HG12 VAL A 24 -0.255 14.796 -6.009 1.00 73.11 H new ATOM 0 HG13 VAL A 24 -0.561 13.551 -7.244 1.00 73.11 H new ATOM 0 HG21 VAL A 24 -1.155 15.547 -9.522 1.00 44.41 H new ATOM 0 HG22 VAL A 24 -2.189 14.133 -9.210 1.00 44.41 H new ATOM 0 HG23 VAL A 24 -2.901 15.764 -9.256 1.00 44.41 H new ATOM 354 N LYS A 25 -2.937 16.144 -4.542 1.00 3.44 N ATOM 355 CA LYS A 25 -2.765 16.400 -3.090 1.00 60.33 C ATOM 356 C LYS A 25 -3.846 15.701 -2.231 1.00 63.13 C ATOM 357 O LYS A 25 -3.572 15.309 -1.094 1.00 41.31 O ATOM 358 CB LYS A 25 -2.734 17.940 -2.794 1.00 1.54 C ATOM 359 CG LYS A 25 -1.329 18.612 -2.916 1.00 42.22 C ATOM 360 CD LYS A 25 -0.602 18.804 -1.548 1.00 55.41 C ATOM 361 CE LYS A 25 -0.403 17.499 -0.748 1.00 23.25 C ATOM 362 NZ LYS A 25 0.288 17.735 0.543 1.00 14.44 N ATOM 0 H LYS A 25 -3.223 16.968 -5.071 1.00 3.44 H new ATOM 0 HA LYS A 25 -1.805 15.968 -2.807 1.00 60.33 H new ATOM 0 HB2 LYS A 25 -3.419 18.439 -3.479 1.00 1.54 H new ATOM 0 HB3 LYS A 25 -3.113 18.108 -1.786 1.00 1.54 H new ATOM 0 HG2 LYS A 25 -0.701 18.005 -3.568 1.00 42.22 H new ATOM 0 HG3 LYS A 25 -1.442 19.584 -3.397 1.00 42.22 H new ATOM 0 HD2 LYS A 25 0.372 19.259 -1.728 1.00 55.41 H new ATOM 0 HD3 LYS A 25 -1.174 19.505 -0.941 1.00 55.41 H new ATOM 0 HE2 LYS A 25 -1.373 17.038 -0.560 1.00 23.25 H new ATOM 0 HE3 LYS A 25 0.175 16.793 -1.344 1.00 23.25 H new ATOM 0 HZ1 LYS A 25 0.729 16.851 0.868 1.00 14.44 H new ATOM 0 HZ2 LYS A 25 1.022 18.461 0.416 1.00 14.44 H new ATOM 0 HZ3 LYS A 25 -0.401 18.059 1.251 1.00 14.44 H new ATOM 376 N ARG A 26 -5.067 15.560 -2.776 1.00 73.22 N ATOM 377 CA ARG A 26 -6.180 14.858 -2.090 1.00 4.54 C ATOM 378 C ARG A 26 -5.920 13.326 -2.034 1.00 1.13 C ATOM 379 O ARG A 26 -6.152 12.686 -1.001 1.00 2.54 O ATOM 380 CB ARG A 26 -7.527 15.186 -2.790 1.00 72.14 C ATOM 381 CG ARG A 26 -8.763 14.405 -2.278 1.00 4.32 C ATOM 382 CD ARG A 26 -9.066 14.607 -0.779 1.00 73.32 C ATOM 383 NE ARG A 26 -10.165 13.727 -0.324 1.00 23.24 N ATOM 384 CZ ARG A 26 -11.379 14.118 -0.011 1.00 41.23 C ATOM 385 NH1 ARG A 26 -11.719 15.365 -0.072 1.00 25.11 N ATOM 386 NH2 ARG A 26 -12.258 13.252 0.362 1.00 13.35 N ATOM 0 H ARG A 26 -5.315 15.924 -3.696 1.00 73.22 H new ATOM 0 HA ARG A 26 -6.239 15.211 -1.061 1.00 4.54 H new ATOM 0 HB2 ARG A 26 -7.723 16.252 -2.677 1.00 72.14 H new ATOM 0 HB3 ARG A 26 -7.416 14.993 -3.857 1.00 72.14 H new ATOM 0 HG2 ARG A 26 -9.635 14.708 -2.857 1.00 4.32 H new ATOM 0 HG3 ARG A 26 -8.610 13.342 -2.466 1.00 4.32 H new ATOM 0 HD2 ARG A 26 -8.169 14.402 -0.195 1.00 73.32 H new ATOM 0 HD3 ARG A 26 -9.334 15.648 -0.598 1.00 73.32 H new ATOM 0 HE ARG A 26 -9.962 12.730 -0.247 1.00 23.24 H new ATOM 0 HH11 ARG A 26 -11.039 16.065 -0.368 1.00 25.11 H new ATOM 0 HH12 ARG A 26 -12.667 15.648 0.175 1.00 25.11 H new ATOM 0 HH21 ARG A 26 -12.010 12.264 0.414 1.00 13.35 H new ATOM 0 HH22 ARG A 26 -13.201 13.555 0.605 1.00 13.35 H new ATOM 400 N VAL A 27 -5.428 12.756 -3.151 1.00 34.13 N ATOM 401 CA VAL A 27 -5.053 11.321 -3.229 1.00 52.51 C ATOM 402 C VAL A 27 -3.750 11.057 -2.419 1.00 41.21 C ATOM 403 O VAL A 27 -3.545 9.977 -1.885 1.00 71.14 O ATOM 404 CB VAL A 27 -4.884 10.827 -4.721 1.00 41.14 C ATOM 405 CG1 VAL A 27 -4.780 9.277 -4.796 1.00 42.23 C ATOM 406 CG2 VAL A 27 -6.032 11.344 -5.627 1.00 2.51 C ATOM 0 H VAL A 27 -5.278 13.268 -4.021 1.00 34.13 H new ATOM 0 HA VAL A 27 -5.870 10.749 -2.790 1.00 52.51 H new ATOM 0 HB VAL A 27 -3.950 11.247 -5.094 1.00 41.14 H new ATOM 0 HG11 VAL A 27 -4.665 8.970 -5.835 1.00 42.23 H new ATOM 0 HG12 VAL A 27 -3.917 8.942 -4.221 1.00 42.23 H new ATOM 0 HG13 VAL A 27 -5.686 8.831 -4.384 1.00 42.23 H new ATOM 0 HG21 VAL A 27 -5.882 10.984 -6.645 1.00 2.51 H new ATOM 0 HG22 VAL A 27 -6.987 10.977 -5.250 1.00 2.51 H new ATOM 0 HG23 VAL A 27 -6.035 12.434 -5.624 1.00 2.51 H new ATOM 416 N TRP A 28 -2.866 12.065 -2.366 1.00 10.30 N ATOM 417 CA TRP A 28 -1.626 12.028 -1.551 1.00 14.23 C ATOM 418 C TRP A 28 -1.935 12.082 -0.038 1.00 5.24 C ATOM 419 O TRP A 28 -1.219 11.481 0.760 1.00 43.20 O ATOM 420 CB TRP A 28 -0.706 13.207 -1.952 1.00 35.24 C ATOM 421 CG TRP A 28 0.635 13.245 -1.257 1.00 0.20 C ATOM 422 CD1 TRP A 28 1.010 14.061 -0.229 1.00 2.42 C ATOM 423 CD2 TRP A 28 1.774 12.433 -1.553 1.00 70.45 C ATOM 424 NE1 TRP A 28 2.306 13.807 0.128 1.00 24.03 N ATOM 425 CE2 TRP A 28 2.798 12.813 -0.677 1.00 34.20 C ATOM 426 CE3 TRP A 28 2.025 11.422 -2.483 1.00 53.32 C ATOM 427 CZ2 TRP A 28 4.054 12.217 -0.704 1.00 33.22 C ATOM 428 CZ3 TRP A 28 3.266 10.841 -2.511 1.00 53.14 C ATOM 429 CH2 TRP A 28 4.271 11.239 -1.624 1.00 54.42 C ATOM 0 H TRP A 28 -2.985 12.934 -2.886 1.00 10.30 H new ATOM 0 HA TRP A 28 -1.119 11.084 -1.748 1.00 14.23 H new ATOM 0 HB2 TRP A 28 -0.538 13.165 -3.028 1.00 35.24 H new ATOM 0 HB3 TRP A 28 -1.230 14.141 -1.747 1.00 35.24 H new ATOM 0 HD1 TRP A 28 0.375 14.801 0.236 1.00 2.42 H new ATOM 0 HE1 TRP A 28 2.821 14.280 0.871 1.00 24.03 H new ATOM 0 HE3 TRP A 28 1.254 11.103 -3.169 1.00 53.32 H new ATOM 0 HZ2 TRP A 28 4.831 12.520 -0.018 1.00 33.22 H new ATOM 0 HZ3 TRP A 28 3.471 10.062 -3.231 1.00 53.14 H new ATOM 0 HH2 TRP A 28 5.238 10.761 -1.670 1.00 54.42 H new ATOM 440 N ALA A 29 -3.002 12.815 0.333 1.00 24.20 N ATOM 441 CA ALA A 29 -3.421 13.003 1.749 1.00 2.12 C ATOM 442 C ALA A 29 -3.722 11.665 2.479 1.00 51.31 C ATOM 443 O ALA A 29 -3.574 11.570 3.700 1.00 72.23 O ATOM 444 CB ALA A 29 -4.645 13.928 1.795 1.00 44.43 C ATOM 0 H ALA A 29 -3.603 13.297 -0.336 1.00 24.20 H new ATOM 0 HA ALA A 29 -2.585 13.457 2.281 1.00 2.12 H new ATOM 0 HB1 ALA A 29 -4.956 14.069 2.830 1.00 44.43 H new ATOM 0 HB2 ALA A 29 -4.388 14.893 1.359 1.00 44.43 H new ATOM 0 HB3 ALA A 29 -5.461 13.480 1.229 1.00 44.43 H new ATOM 450 N ILE A 30 -4.124 10.633 1.708 1.00 24.53 N ATOM 451 CA ILE A 30 -4.425 9.279 2.250 1.00 71.41 C ATOM 452 C ILE A 30 -3.124 8.551 2.685 1.00 53.24 C ATOM 453 O ILE A 30 -3.162 7.636 3.485 1.00 51.22 O ATOM 454 CB ILE A 30 -5.218 8.398 1.204 1.00 15.52 C ATOM 455 CG1 ILE A 30 -4.267 7.781 0.128 1.00 61.04 C ATOM 456 CG2 ILE A 30 -6.333 9.237 0.541 1.00 75.41 C ATOM 457 CD1 ILE A 30 -4.938 7.016 -0.988 1.00 0.40 C ATOM 0 H ILE A 30 -4.250 10.707 0.699 1.00 24.53 H new ATOM 0 HA ILE A 30 -5.058 9.416 3.127 1.00 71.41 H new ATOM 0 HB ILE A 30 -5.675 7.567 1.741 1.00 15.52 H new ATOM 0 HG12 ILE A 30 -3.679 8.586 -0.313 1.00 61.04 H new ATOM 0 HG13 ILE A 30 -3.567 7.113 0.630 1.00 61.04 H new ATOM 0 HG21 ILE A 30 -6.873 8.621 -0.178 1.00 75.41 H new ATOM 0 HG22 ILE A 30 -7.024 9.593 1.305 1.00 75.41 H new ATOM 0 HG23 ILE A 30 -5.890 10.090 0.027 1.00 75.41 H new ATOM 0 HD11 ILE A 30 -4.181 6.634 -1.674 1.00 0.40 H new ATOM 0 HD12 ILE A 30 -5.502 6.183 -0.570 1.00 0.40 H new ATOM 0 HD13 ILE A 30 -5.615 7.678 -1.527 1.00 0.40 H new ATOM 469 N TRP A 31 -1.987 8.950 2.090 1.00 52.05 N ATOM 470 CA TRP A 31 -0.641 8.451 2.454 1.00 32.05 C ATOM 471 C TRP A 31 0.005 9.358 3.517 1.00 5.35 C ATOM 472 O TRP A 31 0.683 8.887 4.436 1.00 40.41 O ATOM 473 CB TRP A 31 0.256 8.419 1.186 1.00 42.44 C ATOM 474 CG TRP A 31 -0.277 7.512 0.101 1.00 13.25 C ATOM 475 CD1 TRP A 31 -0.891 7.868 -1.072 1.00 33.32 C ATOM 476 CD2 TRP A 31 -0.244 6.080 0.115 1.00 13.50 C ATOM 477 NE1 TRP A 31 -1.254 6.743 -1.769 1.00 53.41 N ATOM 478 CE2 TRP A 31 -0.860 5.635 -1.062 1.00 31.14 C ATOM 479 CE3 TRP A 31 0.250 5.136 1.021 1.00 31.44 C ATOM 480 CZ2 TRP A 31 -0.994 4.281 -1.358 1.00 73.44 C ATOM 481 CZ3 TRP A 31 0.120 3.801 0.729 1.00 12.51 C ATOM 482 CH2 TRP A 31 -0.496 3.379 -0.452 1.00 30.31 C ATOM 0 H TRP A 31 -1.972 9.635 1.334 1.00 52.05 H new ATOM 0 HA TRP A 31 -0.739 7.447 2.866 1.00 32.05 H new ATOM 0 HB2 TRP A 31 0.351 9.430 0.791 1.00 42.44 H new ATOM 0 HB3 TRP A 31 1.257 8.091 1.465 1.00 42.44 H new ATOM 0 HD1 TRP A 31 -1.063 8.883 -1.399 1.00 33.32 H new ATOM 0 HE1 TRP A 31 -1.738 6.732 -2.667 1.00 53.41 H new ATOM 0 HE3 TRP A 31 0.727 5.453 1.937 1.00 31.44 H new ATOM 0 HZ2 TRP A 31 -1.473 3.952 -2.269 1.00 73.44 H new ATOM 0 HZ3 TRP A 31 0.500 3.066 1.423 1.00 12.51 H new ATOM 0 HH2 TRP A 31 -0.582 2.322 -0.656 1.00 30.31 H new ATOM 493 N GLU A 32 -0.244 10.665 3.365 1.00 4.32 N ATOM 494 CA GLU A 32 0.407 11.737 4.136 1.00 52.13 C ATOM 495 C GLU A 32 -0.111 11.814 5.588 1.00 44.25 C ATOM 496 O GLU A 32 0.643 12.155 6.513 1.00 31.31 O ATOM 497 CB GLU A 32 0.177 13.076 3.377 1.00 44.11 C ATOM 498 CG GLU A 32 0.789 14.329 4.029 1.00 33.42 C ATOM 499 CD GLU A 32 0.670 15.580 3.143 1.00 50.25 C ATOM 500 OE1 GLU A 32 -0.364 16.281 3.202 1.00 20.20 O ATOM 501 OE2 GLU A 32 1.604 15.865 2.360 1.00 41.22 O ATOM 0 H GLU A 32 -0.920 11.017 2.687 1.00 4.32 H new ATOM 0 HA GLU A 32 1.473 11.527 4.217 1.00 52.13 H new ATOM 0 HB2 GLU A 32 0.585 12.977 2.371 1.00 44.11 H new ATOM 0 HB3 GLU A 32 -0.897 13.232 3.271 1.00 44.11 H new ATOM 0 HG2 GLU A 32 0.294 14.516 4.982 1.00 33.42 H new ATOM 0 HG3 GLU A 32 1.841 14.143 4.247 1.00 33.42 H new ATOM 508 N ASP A 33 -1.402 11.500 5.781 1.00 0.20 N ATOM 509 CA ASP A 33 -2.061 11.579 7.100 1.00 31.12 C ATOM 510 C ASP A 33 -2.393 10.161 7.641 1.00 30.21 C ATOM 511 O ASP A 33 -3.017 9.365 6.931 1.00 41.10 O ATOM 512 CB ASP A 33 -3.342 12.437 6.987 1.00 43.22 C ATOM 513 CG ASP A 33 -3.851 12.908 8.356 1.00 11.42 C ATOM 514 OD1 ASP A 33 -4.549 12.136 9.049 1.00 13.35 O ATOM 515 OD2 ASP A 33 -3.511 14.040 8.762 1.00 74.10 O ATOM 0 H ASP A 33 -2.019 11.185 5.032 1.00 0.20 H new ATOM 0 HA ASP A 33 -1.379 12.050 7.808 1.00 31.12 H new ATOM 0 HB2 ASP A 33 -3.141 13.305 6.359 1.00 43.22 H new ATOM 0 HB3 ASP A 33 -4.122 11.858 6.492 1.00 43.22 H new ATOM 520 N PRO A 34 -1.979 9.822 8.911 1.00 23.45 N ATOM 521 CA PRO A 34 -2.256 8.492 9.531 1.00 61.33 C ATOM 522 C PRO A 34 -3.768 8.165 9.696 1.00 74.21 C ATOM 523 O PRO A 34 -4.145 7.001 9.611 1.00 55.44 O ATOM 524 CB PRO A 34 -1.544 8.579 10.910 1.00 22.34 C ATOM 525 CG PRO A 34 -1.396 10.050 11.173 1.00 53.23 C ATOM 526 CD PRO A 34 -1.170 10.681 9.821 1.00 41.13 C ATOM 0 HA PRO A 34 -1.895 7.683 8.896 1.00 61.33 H new ATOM 0 HB2 PRO A 34 -2.132 8.095 11.690 1.00 22.34 H new ATOM 0 HB3 PRO A 34 -0.574 8.082 10.887 1.00 22.34 H new ATOM 0 HG2 PRO A 34 -2.288 10.455 11.651 1.00 53.23 H new ATOM 0 HG3 PRO A 34 -0.559 10.247 11.843 1.00 53.23 H new ATOM 0 HD2 PRO A 34 -1.503 11.719 9.799 1.00 41.13 H new ATOM 0 HD3 PRO A 34 -0.115 10.679 9.546 1.00 41.13 H new ATOM 534 N ARG A 35 -4.619 9.193 9.935 1.00 23.35 N ATOM 535 CA ARG A 35 -6.099 9.007 10.065 1.00 41.50 C ATOM 536 C ARG A 35 -6.730 8.635 8.702 1.00 75.54 C ATOM 537 O ARG A 35 -7.524 7.691 8.607 1.00 23.24 O ATOM 538 CB ARG A 35 -6.788 10.281 10.651 1.00 55.32 C ATOM 539 CG ARG A 35 -6.757 10.448 12.196 1.00 61.21 C ATOM 540 CD ARG A 35 -5.343 10.514 12.817 1.00 44.34 C ATOM 541 NE ARG A 35 -4.746 9.179 13.036 1.00 40.44 N ATOM 542 CZ ARG A 35 -3.704 8.924 13.801 1.00 22.32 C ATOM 543 NH1 ARG A 35 -3.078 9.865 14.434 1.00 64.11 N ATOM 544 NH2 ARG A 35 -3.291 7.711 13.930 1.00 14.43 N ATOM 0 H ARG A 35 -4.314 10.160 10.043 1.00 23.35 H new ATOM 0 HA ARG A 35 -6.263 8.185 10.762 1.00 41.50 H new ATOM 0 HB2 ARG A 35 -6.317 11.157 10.205 1.00 55.32 H new ATOM 0 HB3 ARG A 35 -7.830 10.281 10.330 1.00 55.32 H new ATOM 0 HG2 ARG A 35 -7.296 11.358 12.459 1.00 61.21 H new ATOM 0 HG3 ARG A 35 -7.297 9.616 12.647 1.00 61.21 H new ATOM 0 HD2 ARG A 35 -4.692 11.095 12.164 1.00 44.34 H new ATOM 0 HD3 ARG A 35 -5.394 11.044 13.768 1.00 44.34 H new ATOM 0 HE ARG A 35 -5.177 8.390 12.555 1.00 40.44 H new ATOM 0 HH11 ARG A 35 -3.389 10.833 14.347 1.00 64.11 H new ATOM 0 HH12 ARG A 35 -2.274 9.638 15.019 1.00 64.11 H new ATOM 0 HH21 ARG A 35 -3.770 6.954 13.441 1.00 14.43 H new ATOM 0 HH22 ARG A 35 -2.485 7.507 14.521 1.00 14.43 H new ATOM 558 N GLN A 36 -6.352 9.385 7.651 1.00 75.51 N ATOM 559 CA GLN A 36 -6.846 9.154 6.276 1.00 45.22 C ATOM 560 C GLN A 36 -6.266 7.850 5.683 1.00 44.14 C ATOM 561 O GLN A 36 -6.849 7.289 4.769 1.00 34.53 O ATOM 562 CB GLN A 36 -6.504 10.373 5.373 1.00 51.54 C ATOM 563 CG GLN A 36 -6.927 11.726 5.973 1.00 22.04 C ATOM 564 CD GLN A 36 -6.850 12.894 4.990 1.00 11.30 C ATOM 565 OE1 GLN A 36 -5.831 13.558 4.868 1.00 35.32 O ATOM 566 NE2 GLN A 36 -7.941 13.161 4.297 1.00 14.11 N ATOM 0 H GLN A 36 -5.699 10.165 7.727 1.00 75.51 H new ATOM 0 HA GLN A 36 -7.929 9.042 6.317 1.00 45.22 H new ATOM 0 HB2 GLN A 36 -5.430 10.387 5.189 1.00 51.54 H new ATOM 0 HB3 GLN A 36 -6.992 10.246 4.406 1.00 51.54 H new ATOM 0 HG2 GLN A 36 -7.949 11.644 6.344 1.00 22.04 H new ATOM 0 HG3 GLN A 36 -6.293 11.945 6.832 1.00 22.04 H new ATOM 0 HE21 GLN A 36 -8.776 12.589 4.420 1.00 14.11 H new ATOM 0 HE22 GLN A 36 -7.949 13.939 3.638 1.00 14.11 H new ATOM 575 N LEU A 37 -5.112 7.402 6.216 1.00 32.33 N ATOM 576 CA LEU A 37 -4.473 6.117 5.841 1.00 2.44 C ATOM 577 C LEU A 37 -5.173 4.904 6.493 1.00 1.21 C ATOM 578 O LEU A 37 -5.547 3.952 5.803 1.00 75.31 O ATOM 579 CB LEU A 37 -2.978 6.147 6.250 1.00 31.31 C ATOM 580 CG LEU A 37 -2.135 4.867 5.946 1.00 32.04 C ATOM 581 CD1 LEU A 37 -2.087 4.530 4.438 1.00 2.24 C ATOM 582 CD2 LEU A 37 -0.723 5.022 6.519 1.00 32.25 C ATOM 0 H LEU A 37 -4.591 7.921 6.923 1.00 32.33 H new ATOM 0 HA LEU A 37 -4.566 6.001 4.761 1.00 2.44 H new ATOM 0 HB2 LEU A 37 -2.506 6.991 5.747 1.00 31.31 H new ATOM 0 HB3 LEU A 37 -2.923 6.343 7.321 1.00 31.31 H new ATOM 0 HG LEU A 37 -2.630 4.027 6.433 1.00 32.04 H new ATOM 0 HD11 LEU A 37 -1.488 3.632 4.285 1.00 2.24 H new ATOM 0 HD12 LEU A 37 -3.099 4.358 4.071 1.00 2.24 H new ATOM 0 HD13 LEU A 37 -1.640 5.362 3.893 1.00 2.24 H new ATOM 0 HD21 LEU A 37 -0.142 4.125 6.303 1.00 32.25 H new ATOM 0 HD22 LEU A 37 -0.239 5.886 6.065 1.00 32.25 H new ATOM 0 HD23 LEU A 37 -0.782 5.165 7.598 1.00 32.25 H new ATOM 594 N GLU A 38 -5.367 4.963 7.827 1.00 42.12 N ATOM 595 CA GLU A 38 -5.972 3.850 8.608 1.00 70.14 C ATOM 596 C GLU A 38 -7.462 3.650 8.264 1.00 11.13 C ATOM 597 O GLU A 38 -8.043 2.603 8.582 1.00 71.12 O ATOM 598 CB GLU A 38 -5.802 4.091 10.131 1.00 62.31 C ATOM 599 CG GLU A 38 -6.602 5.278 10.698 1.00 14.34 C ATOM 600 CD GLU A 38 -6.319 5.535 12.183 1.00 25.44 C ATOM 601 OE1 GLU A 38 -5.336 6.239 12.503 1.00 33.45 O ATOM 602 OE2 GLU A 38 -7.067 5.027 13.043 1.00 54.34 O ATOM 0 H GLU A 38 -5.114 5.772 8.394 1.00 42.12 H new ATOM 0 HA GLU A 38 -5.442 2.938 8.332 1.00 70.14 H new ATOM 0 HB2 GLU A 38 -6.099 3.186 10.662 1.00 62.31 H new ATOM 0 HB3 GLU A 38 -4.745 4.252 10.342 1.00 62.31 H new ATOM 0 HG2 GLU A 38 -6.364 6.176 10.127 1.00 14.34 H new ATOM 0 HG3 GLU A 38 -7.667 5.089 10.564 1.00 14.34 H new ATOM 609 N ARG A 39 -8.062 4.672 7.614 1.00 61.40 N ATOM 610 CA ARG A 39 -9.437 4.620 7.091 1.00 73.40 C ATOM 611 C ARG A 39 -9.632 3.439 6.095 1.00 12.24 C ATOM 612 O ARG A 39 -10.712 2.840 6.018 1.00 43.14 O ATOM 613 CB ARG A 39 -9.773 5.965 6.372 1.00 74.24 C ATOM 614 CG ARG A 39 -11.258 6.096 5.970 1.00 53.10 C ATOM 615 CD ARG A 39 -11.546 7.159 4.892 1.00 43.32 C ATOM 616 NE ARG A 39 -11.434 8.562 5.328 1.00 13.45 N ATOM 617 CZ ARG A 39 -12.087 9.566 4.768 1.00 44.05 C ATOM 618 NH1 ARG A 39 -12.978 9.367 3.839 1.00 1.43 N ATOM 619 NH2 ARG A 39 -11.856 10.771 5.128 1.00 34.34 N ATOM 0 H ARG A 39 -7.597 5.563 7.438 1.00 61.40 H new ATOM 0 HA ARG A 39 -10.109 4.464 7.934 1.00 73.40 H new ATOM 0 HB2 ARG A 39 -9.508 6.794 7.028 1.00 74.24 H new ATOM 0 HB3 ARG A 39 -9.154 6.055 5.479 1.00 74.24 H new ATOM 0 HG2 ARG A 39 -11.608 5.129 5.609 1.00 53.10 H new ATOM 0 HG3 ARG A 39 -11.841 6.334 6.860 1.00 53.10 H new ATOM 0 HD2 ARG A 39 -10.859 7.001 4.060 1.00 43.32 H new ATOM 0 HD3 ARG A 39 -12.553 6.997 4.509 1.00 43.32 H new ATOM 0 HE ARG A 39 -10.814 8.772 6.110 1.00 13.45 H new ATOM 0 HH11 ARG A 39 -13.186 8.419 3.527 1.00 1.43 H new ATOM 0 HH12 ARG A 39 -13.467 10.160 3.424 1.00 1.43 H new ATOM 0 HH21 ARG A 39 -11.164 10.963 5.852 1.00 34.34 H new ATOM 0 HH22 ARG A 39 -12.364 11.540 4.691 1.00 34.34 H new ATOM 633 N TRP A 40 -8.567 3.108 5.340 1.00 52.14 N ATOM 634 CA TRP A 40 -8.641 2.130 4.230 1.00 24.44 C ATOM 635 C TRP A 40 -7.515 1.074 4.257 1.00 2.13 C ATOM 636 O TRP A 40 -7.583 0.111 3.497 1.00 33.12 O ATOM 637 CB TRP A 40 -8.619 2.883 2.881 1.00 12.24 C ATOM 638 CG TRP A 40 -7.348 3.672 2.650 1.00 20.44 C ATOM 639 CD1 TRP A 40 -7.069 4.931 3.086 1.00 44.13 C ATOM 640 CD2 TRP A 40 -6.184 3.237 1.937 1.00 71.22 C ATOM 641 NE1 TRP A 40 -5.816 5.308 2.679 1.00 24.20 N ATOM 642 CE2 TRP A 40 -5.257 4.286 1.968 1.00 70.22 C ATOM 643 CE3 TRP A 40 -5.847 2.060 1.273 1.00 4.31 C ATOM 644 CZ2 TRP A 40 -4.014 4.193 1.356 1.00 62.02 C ATOM 645 CZ3 TRP A 40 -4.619 1.965 0.664 1.00 12.43 C ATOM 646 CH2 TRP A 40 -3.719 3.028 0.706 1.00 33.03 C ATOM 0 H TRP A 40 -7.638 3.505 5.478 1.00 52.14 H new ATOM 0 HA TRP A 40 -9.576 1.584 4.355 1.00 24.44 H new ATOM 0 HB2 TRP A 40 -8.743 2.164 2.071 1.00 12.24 H new ATOM 0 HB3 TRP A 40 -9.471 3.561 2.839 1.00 12.24 H new ATOM 0 HD1 TRP A 40 -7.739 5.545 3.669 1.00 44.13 H new ATOM 0 HE1 TRP A 40 -5.373 6.206 2.875 1.00 24.20 H new ATOM 0 HE3 TRP A 40 -6.541 1.233 1.237 1.00 4.31 H new ATOM 0 HZ2 TRP A 40 -3.308 5.010 1.392 1.00 62.02 H new ATOM 0 HZ3 TRP A 40 -4.348 1.056 0.147 1.00 12.43 H new ATOM 0 HH2 TRP A 40 -2.764 2.928 0.212 1.00 33.03 H new ATOM 657 N TRP A 41 -6.472 1.280 5.089 1.00 23.42 N ATOM 658 CA TRP A 41 -5.260 0.416 5.080 1.00 13.42 C ATOM 659 C TRP A 41 -5.597 -1.029 5.536 1.00 21.32 C ATOM 660 O TRP A 41 -5.877 -1.274 6.717 1.00 30.40 O ATOM 661 CB TRP A 41 -4.139 1.035 5.960 1.00 42.41 C ATOM 662 CG TRP A 41 -2.768 0.424 5.733 1.00 45.32 C ATOM 663 CD1 TRP A 41 -2.006 -0.288 6.622 1.00 13.04 C ATOM 664 CD2 TRP A 41 -2.010 0.461 4.511 1.00 54.23 C ATOM 665 NE1 TRP A 41 -0.821 -0.655 6.041 1.00 72.23 N ATOM 666 CE2 TRP A 41 -0.805 -0.217 4.749 1.00 72.31 C ATOM 667 CE3 TRP A 41 -2.229 1.006 3.244 1.00 43.22 C ATOM 668 CZ2 TRP A 41 0.172 -0.362 3.773 1.00 52.54 C ATOM 669 CZ3 TRP A 41 -1.264 0.857 2.276 1.00 44.21 C ATOM 670 CH2 TRP A 41 -0.073 0.180 2.541 1.00 52.35 C ATOM 0 H TRP A 41 -6.440 2.034 5.776 1.00 23.42 H new ATOM 0 HA TRP A 41 -4.893 0.359 4.055 1.00 13.42 H new ATOM 0 HB2 TRP A 41 -4.086 2.106 5.762 1.00 42.41 H new ATOM 0 HB3 TRP A 41 -4.409 0.918 7.010 1.00 42.41 H new ATOM 0 HD1 TRP A 41 -2.298 -0.525 7.634 1.00 13.04 H new ATOM 0 HE1 TRP A 41 -0.071 -1.172 6.500 1.00 72.23 H new ATOM 0 HE3 TRP A 41 -3.144 1.537 3.027 1.00 43.22 H new ATOM 0 HZ2 TRP A 41 1.094 -0.885 3.979 1.00 52.54 H new ATOM 0 HZ3 TRP A 41 -1.431 1.271 1.293 1.00 44.21 H new ATOM 0 HH2 TRP A 41 0.667 0.082 1.761 1.00 52.35 H new ATOM 681 N GLY A 42 -5.583 -1.963 4.563 1.00 12.11 N ATOM 682 CA GLY A 42 -6.061 -3.341 4.764 1.00 73.33 C ATOM 683 C GLY A 42 -7.485 -3.557 4.224 1.00 31.42 C ATOM 684 O GLY A 42 -8.180 -2.585 3.916 1.00 33.13 O ATOM 0 H GLY A 42 -5.241 -1.781 3.620 1.00 12.11 H new ATOM 0 HA2 GLY A 42 -5.380 -4.034 4.270 1.00 73.33 H new ATOM 0 HA3 GLY A 42 -6.040 -3.578 5.828 1.00 73.33 H new ATOM 688 N PRO A 43 -7.956 -4.836 4.086 1.00 53.02 N ATOM 689 CA PRO A 43 -9.336 -5.134 3.600 1.00 52.52 C ATOM 690 C PRO A 43 -10.443 -4.639 4.597 1.00 74.21 C ATOM 691 O PRO A 43 -10.138 -4.379 5.766 1.00 44.54 O ATOM 692 CB PRO A 43 -9.322 -6.682 3.446 1.00 22.42 C ATOM 693 CG PRO A 43 -8.263 -7.156 4.391 1.00 12.35 C ATOM 694 CD PRO A 43 -7.194 -6.080 4.381 1.00 51.14 C ATOM 0 HA PRO A 43 -9.582 -4.617 2.672 1.00 52.52 H new ATOM 0 HB2 PRO A 43 -10.293 -7.112 3.693 1.00 22.42 H new ATOM 0 HB3 PRO A 43 -9.096 -6.975 2.421 1.00 22.42 H new ATOM 0 HG2 PRO A 43 -8.667 -7.297 5.393 1.00 12.35 H new ATOM 0 HG3 PRO A 43 -7.856 -8.116 4.073 1.00 12.35 H new ATOM 0 HD2 PRO A 43 -6.679 -6.017 5.339 1.00 51.14 H new ATOM 0 HD3 PRO A 43 -6.435 -6.275 3.623 1.00 51.14 H new ATOM 702 N PRO A 44 -11.738 -4.468 4.132 1.00 22.52 N ATOM 703 CA PRO A 44 -12.873 -3.973 4.985 1.00 55.24 C ATOM 704 C PRO A 44 -13.016 -4.656 6.382 1.00 12.04 C ATOM 705 O PRO A 44 -13.382 -4.001 7.368 1.00 54.43 O ATOM 706 CB PRO A 44 -14.112 -4.258 4.101 1.00 24.41 C ATOM 707 CG PRO A 44 -13.602 -4.137 2.698 1.00 51.23 C ATOM 708 CD PRO A 44 -12.192 -4.689 2.724 1.00 41.12 C ATOM 0 HA PRO A 44 -12.722 -2.927 5.253 1.00 55.24 H new ATOM 0 HB2 PRO A 44 -14.517 -5.252 4.293 1.00 24.41 H new ATOM 0 HB3 PRO A 44 -14.912 -3.544 4.296 1.00 24.41 H new ATOM 0 HG2 PRO A 44 -14.229 -4.697 2.004 1.00 51.23 H new ATOM 0 HG3 PRO A 44 -13.610 -3.098 2.367 1.00 51.23 H new ATOM 0 HD2 PRO A 44 -12.173 -5.747 2.461 1.00 41.12 H new ATOM 0 HD3 PRO A 44 -11.549 -4.172 2.012 1.00 41.12 H new ATOM 716 N THR A 45 -12.719 -5.968 6.453 1.00 71.03 N ATOM 717 CA THR A 45 -12.826 -6.764 7.714 1.00 40.51 C ATOM 718 C THR A 45 -11.562 -6.644 8.615 1.00 20.32 C ATOM 719 O THR A 45 -11.609 -6.998 9.798 1.00 2.04 O ATOM 720 CB THR A 45 -13.114 -8.274 7.404 1.00 3.01 C ATOM 721 OG1 THR A 45 -12.099 -8.799 6.532 1.00 30.25 O ATOM 722 CG2 THR A 45 -14.495 -8.479 6.751 1.00 1.42 C ATOM 0 H THR A 45 -12.400 -6.512 5.651 1.00 71.03 H new ATOM 0 HA THR A 45 -13.664 -6.341 8.268 1.00 40.51 H new ATOM 0 HB THR A 45 -13.107 -8.805 8.356 1.00 3.01 H new ATOM 0 HG1 THR A 45 -12.285 -9.743 6.345 1.00 30.25 H new ATOM 0 HG21 THR A 45 -14.651 -9.540 6.554 1.00 1.42 H new ATOM 0 HG22 THR A 45 -15.273 -8.117 7.423 1.00 1.42 H new ATOM 0 HG23 THR A 45 -14.540 -7.926 5.813 1.00 1.42 H new ATOM 730 N TRP A 46 -10.436 -6.145 8.049 1.00 22.32 N ATOM 731 CA TRP A 46 -9.150 -5.945 8.787 1.00 61.41 C ATOM 732 C TRP A 46 -8.685 -4.450 8.740 1.00 54.51 C ATOM 733 O TRP A 46 -7.865 -4.080 7.885 1.00 52.25 O ATOM 734 CB TRP A 46 -8.036 -6.860 8.193 1.00 61.25 C ATOM 735 CG TRP A 46 -8.262 -8.355 8.336 1.00 75.12 C ATOM 736 CD1 TRP A 46 -9.198 -9.117 7.694 1.00 42.50 C ATOM 737 CD2 TRP A 46 -7.508 -9.265 9.145 1.00 51.13 C ATOM 738 NE1 TRP A 46 -9.097 -10.425 8.093 1.00 34.45 N ATOM 739 CE2 TRP A 46 -8.065 -10.544 8.972 1.00 31.11 C ATOM 740 CE3 TRP A 46 -6.424 -9.118 10.006 1.00 33.20 C ATOM 741 CZ2 TRP A 46 -7.572 -11.670 9.627 1.00 51.25 C ATOM 742 CZ3 TRP A 46 -5.934 -10.235 10.651 1.00 51.25 C ATOM 743 CH2 TRP A 46 -6.507 -11.495 10.463 1.00 13.14 C ATOM 0 H TRP A 46 -10.387 -5.868 7.069 1.00 22.32 H new ATOM 0 HA TRP A 46 -9.325 -6.214 9.829 1.00 61.41 H new ATOM 0 HB2 TRP A 46 -7.928 -6.628 7.134 1.00 61.25 H new ATOM 0 HB3 TRP A 46 -7.090 -6.607 8.673 1.00 61.25 H new ATOM 0 HD1 TRP A 46 -9.913 -8.743 6.977 1.00 42.50 H new ATOM 0 HE1 TRP A 46 -9.699 -11.187 7.781 1.00 34.45 H new ATOM 0 HE3 TRP A 46 -5.975 -8.149 10.166 1.00 33.20 H new ATOM 0 HZ2 TRP A 46 -8.015 -12.644 9.479 1.00 51.25 H new ATOM 0 HZ3 TRP A 46 -5.089 -10.133 11.316 1.00 51.25 H new ATOM 0 HH2 TRP A 46 -6.100 -12.346 10.989 1.00 13.14 H new ATOM 754 N PRO A 47 -9.227 -3.553 9.634 1.00 52.12 N ATOM 755 CA PRO A 47 -8.748 -2.146 9.761 1.00 60.31 C ATOM 756 C PRO A 47 -7.412 -2.042 10.556 1.00 62.54 C ATOM 757 O PRO A 47 -7.312 -2.551 11.682 1.00 35.40 O ATOM 758 CB PRO A 47 -9.919 -1.427 10.514 1.00 1.24 C ATOM 759 CG PRO A 47 -11.028 -2.444 10.611 1.00 62.22 C ATOM 760 CD PRO A 47 -10.358 -3.795 10.554 1.00 1.24 C ATOM 0 HA PRO A 47 -8.522 -1.699 8.793 1.00 60.31 H new ATOM 0 HB2 PRO A 47 -9.603 -1.096 11.504 1.00 1.24 H new ATOM 0 HB3 PRO A 47 -10.247 -0.540 9.971 1.00 1.24 H new ATOM 0 HG2 PRO A 47 -11.587 -2.324 11.539 1.00 62.22 H new ATOM 0 HG3 PRO A 47 -11.739 -2.326 9.793 1.00 62.22 H new ATOM 0 HD2 PRO A 47 -10.019 -4.121 11.537 1.00 1.24 H new ATOM 0 HD3 PRO A 47 -11.030 -4.566 10.177 1.00 1.24 H new ATOM 768 N ALA A 48 -6.400 -1.371 9.971 1.00 4.20 N ATOM 769 CA ALA A 48 -5.082 -1.172 10.617 1.00 22.33 C ATOM 770 C ALA A 48 -5.111 -0.003 11.630 1.00 22.43 C ATOM 771 O ALA A 48 -5.452 1.124 11.277 1.00 2.13 O ATOM 772 CB ALA A 48 -4.009 -0.931 9.551 1.00 4.12 C ATOM 0 H ALA A 48 -6.470 -0.953 9.043 1.00 4.20 H new ATOM 0 HA ALA A 48 -4.840 -2.078 11.173 1.00 22.33 H new ATOM 0 HB1 ALA A 48 -3.043 -0.786 10.034 1.00 4.12 H new ATOM 0 HB2 ALA A 48 -3.956 -1.793 8.886 1.00 4.12 H new ATOM 0 HB3 ALA A 48 -4.263 -0.042 8.973 1.00 4.12 H new ATOM 778 N THR A 49 -4.751 -0.293 12.889 1.00 43.31 N ATOM 779 CA THR A 49 -4.662 0.710 13.975 1.00 71.22 C ATOM 780 C THR A 49 -3.203 1.204 14.099 1.00 13.14 C ATOM 781 O THR A 49 -2.331 0.452 14.546 1.00 14.44 O ATOM 782 CB THR A 49 -5.139 0.099 15.342 1.00 34.12 C ATOM 783 OG1 THR A 49 -6.457 -0.462 15.197 1.00 23.11 O ATOM 784 CG2 THR A 49 -5.146 1.145 16.483 1.00 5.41 C ATOM 0 H THR A 49 -4.510 -1.237 13.191 1.00 43.31 H new ATOM 0 HA THR A 49 -5.314 1.549 13.731 1.00 71.22 H new ATOM 0 HB THR A 49 -4.427 -0.681 15.612 1.00 34.12 H new ATOM 0 HG1 THR A 49 -6.747 -0.842 16.053 1.00 23.11 H new ATOM 0 HG21 THR A 49 -5.483 0.674 17.406 1.00 5.41 H new ATOM 0 HG22 THR A 49 -4.139 1.538 16.623 1.00 5.41 H new ATOM 0 HG23 THR A 49 -5.821 1.961 16.225 1.00 5.41 H new ATOM 792 N PHE A 50 -2.950 2.466 13.694 1.00 70.23 N ATOM 793 CA PHE A 50 -1.583 3.042 13.648 1.00 0.20 C ATOM 794 C PHE A 50 -1.145 3.595 15.017 1.00 54.25 C ATOM 795 O PHE A 50 -1.639 4.630 15.480 1.00 65.14 O ATOM 796 CB PHE A 50 -1.471 4.125 12.532 1.00 0.35 C ATOM 797 CG PHE A 50 -1.264 3.517 11.146 1.00 32.05 C ATOM 798 CD1 PHE A 50 -2.328 2.973 10.433 1.00 44.15 C ATOM 799 CD2 PHE A 50 0.012 3.456 10.577 1.00 53.25 C ATOM 800 CE1 PHE A 50 -2.130 2.386 9.201 1.00 42.02 C ATOM 801 CE2 PHE A 50 0.208 2.873 9.343 1.00 72.23 C ATOM 802 CZ PHE A 50 -0.862 2.338 8.656 1.00 54.43 C ATOM 0 H PHE A 50 -3.679 3.113 13.391 1.00 70.23 H new ATOM 0 HA PHE A 50 -0.896 2.233 13.400 1.00 0.20 H new ATOM 0 HB2 PHE A 50 -2.376 4.732 12.527 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -0.640 4.793 12.760 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -3.323 3.011 10.851 1.00 44.15 H new ATOM 0 HD2 PHE A 50 0.854 3.871 11.111 1.00 53.25 H new ATOM 0 HE1 PHE A 50 -2.966 1.964 8.663 1.00 42.02 H new ATOM 0 HE2 PHE A 50 1.199 2.835 8.914 1.00 72.23 H new ATOM 0 HZ PHE A 50 -0.708 1.881 7.690 1.00 54.43 H new ATOM 812 N GLU A 51 -0.224 2.856 15.655 1.00 44.23 N ATOM 813 CA GLU A 51 0.470 3.260 16.895 1.00 41.34 C ATOM 814 C GLU A 51 1.374 4.489 16.639 1.00 22.54 C ATOM 815 O GLU A 51 1.480 5.389 17.480 1.00 4.44 O ATOM 816 CB GLU A 51 1.307 2.054 17.390 1.00 15.25 C ATOM 817 CG GLU A 51 0.477 0.772 17.627 1.00 74.10 C ATOM 818 CD GLU A 51 1.341 -0.491 17.748 1.00 70.01 C ATOM 819 OE1 GLU A 51 1.726 -1.042 16.697 1.00 65.33 O ATOM 820 OE2 GLU A 51 1.645 -0.935 18.883 1.00 24.45 O ATOM 0 H GLU A 51 0.068 1.939 15.318 1.00 44.23 H new ATOM 0 HA GLU A 51 -0.257 3.546 17.656 1.00 41.34 H new ATOM 0 HB2 GLU A 51 2.087 1.841 16.659 1.00 15.25 H new ATOM 0 HB3 GLU A 51 1.808 2.328 18.319 1.00 15.25 H new ATOM 0 HG2 GLU A 51 -0.112 0.891 18.537 1.00 74.10 H new ATOM 0 HG3 GLU A 51 -0.228 0.646 16.805 1.00 74.10 H new ATOM 827 N THR A 52 2.020 4.503 15.456 1.00 52.20 N ATOM 828 CA THR A 52 2.811 5.659 14.970 1.00 42.50 C ATOM 829 C THR A 52 2.839 5.694 13.427 1.00 13.01 C ATOM 830 O THR A 52 2.585 4.676 12.769 1.00 31.42 O ATOM 831 CB THR A 52 4.281 5.653 15.516 1.00 62.35 C ATOM 832 OG1 THR A 52 4.951 6.880 15.163 1.00 54.14 O ATOM 833 CG2 THR A 52 5.106 4.466 14.984 1.00 62.05 C ATOM 0 H THR A 52 2.010 3.715 14.808 1.00 52.20 H new ATOM 0 HA THR A 52 2.315 6.552 15.350 1.00 42.50 H new ATOM 0 HB THR A 52 4.208 5.556 16.599 1.00 62.35 H new ATOM 0 HG1 THR A 52 5.867 6.864 15.511 1.00 54.14 H new ATOM 0 HG21 THR A 52 6.115 4.511 15.394 1.00 62.05 H new ATOM 0 HG22 THR A 52 4.634 3.531 15.285 1.00 62.05 H new ATOM 0 HG23 THR A 52 5.154 4.515 13.896 1.00 62.05 H new ATOM 841 N HIS A 53 3.151 6.876 12.868 1.00 65.03 N ATOM 842 CA HIS A 53 3.294 7.090 11.414 1.00 61.13 C ATOM 843 C HIS A 53 4.199 8.319 11.154 1.00 2.40 C ATOM 844 O HIS A 53 3.744 9.467 11.209 1.00 43.22 O ATOM 845 CB HIS A 53 1.889 7.259 10.774 1.00 32.42 C ATOM 846 CG HIS A 53 1.874 7.519 9.287 1.00 31.12 C ATOM 847 ND1 HIS A 53 1.717 8.788 8.790 1.00 24.23 N ATOM 848 CD2 HIS A 53 1.958 6.651 8.246 1.00 13.21 C ATOM 849 CE1 HIS A 53 1.706 8.672 7.480 1.00 11.23 C ATOM 850 NE2 HIS A 53 1.848 7.397 7.101 1.00 74.14 N ATOM 0 H HIS A 53 3.313 7.720 13.417 1.00 65.03 H new ATOM 0 HA HIS A 53 3.770 6.225 10.952 1.00 61.13 H new ATOM 0 HB2 HIS A 53 1.309 6.358 10.973 1.00 32.42 H new ATOM 0 HB3 HIS A 53 1.379 8.083 11.273 1.00 32.42 H new ATOM 0 HD2 HIS A 53 2.087 5.580 8.308 1.00 13.21 H new ATOM 0 HE1 HIS A 53 1.596 9.501 6.797 1.00 11.23 H new ATOM 0 HE2 HIS A 53 1.870 7.047 6.143 1.00 74.14 H new ATOM 858 N GLU A 54 5.501 8.063 10.939 1.00 22.13 N ATOM 859 CA GLU A 54 6.488 9.115 10.608 1.00 53.11 C ATOM 860 C GLU A 54 6.550 9.292 9.083 1.00 63.40 C ATOM 861 O GLU A 54 7.294 8.566 8.412 1.00 21.44 O ATOM 862 CB GLU A 54 7.909 8.753 11.140 1.00 13.11 C ATOM 863 CG GLU A 54 7.965 8.363 12.620 1.00 42.42 C ATOM 864 CD GLU A 54 9.385 7.995 13.096 1.00 43.12 C ATOM 865 OE1 GLU A 54 9.901 6.928 12.686 1.00 14.42 O ATOM 866 OE2 GLU A 54 9.988 8.761 13.881 1.00 43.50 O ATOM 0 H GLU A 54 5.901 7.126 10.989 1.00 22.13 H new ATOM 0 HA GLU A 54 6.170 10.041 11.087 1.00 53.11 H new ATOM 0 HB2 GLU A 54 8.303 7.928 10.547 1.00 13.11 H new ATOM 0 HB3 GLU A 54 8.569 9.605 10.979 1.00 13.11 H new ATOM 0 HG2 GLU A 54 7.590 9.191 13.222 1.00 42.42 H new ATOM 0 HG3 GLU A 54 7.300 7.517 12.792 1.00 42.42 H new ATOM 873 N PHE A 55 5.744 10.217 8.529 1.00 51.51 N ATOM 874 CA PHE A 55 5.753 10.509 7.089 1.00 2.22 C ATOM 875 C PHE A 55 6.971 11.400 6.719 1.00 55.11 C ATOM 876 O PHE A 55 6.839 12.592 6.421 1.00 71.13 O ATOM 877 CB PHE A 55 4.404 11.155 6.662 1.00 22.25 C ATOM 878 CG PHE A 55 4.148 11.076 5.159 1.00 72.11 C ATOM 879 CD1 PHE A 55 3.852 9.849 4.573 1.00 63.21 C ATOM 880 CD2 PHE A 55 4.212 12.199 4.338 1.00 21.12 C ATOM 881 CE1 PHE A 55 3.626 9.742 3.215 1.00 14.03 C ATOM 882 CE2 PHE A 55 3.982 12.092 2.980 1.00 1.24 C ATOM 883 CZ PHE A 55 3.688 10.860 2.420 1.00 3.45 C ATOM 0 H PHE A 55 5.077 10.775 9.062 1.00 51.51 H new ATOM 0 HA PHE A 55 5.859 9.575 6.537 1.00 2.22 H new ATOM 0 HB2 PHE A 55 3.589 10.660 7.189 1.00 22.25 H new ATOM 0 HB3 PHE A 55 4.395 12.200 6.971 1.00 22.25 H new ATOM 0 HD1 PHE A 55 3.798 8.965 5.191 1.00 63.21 H new ATOM 0 HD2 PHE A 55 4.444 13.163 4.767 1.00 21.12 H new ATOM 0 HE1 PHE A 55 3.401 8.780 2.779 1.00 14.03 H new ATOM 0 HE2 PHE A 55 4.032 12.971 2.354 1.00 1.24 H new ATOM 0 HZ PHE A 55 3.508 10.778 1.358 1.00 3.45 H new ATOM 893 N THR A 56 8.169 10.797 6.806 1.00 64.20 N ATOM 894 CA THR A 56 9.448 11.429 6.407 1.00 12.42 C ATOM 895 C THR A 56 10.361 10.400 5.685 1.00 41.12 C ATOM 896 O THR A 56 10.129 9.186 5.765 1.00 45.20 O ATOM 897 CB THR A 56 10.188 12.045 7.649 1.00 74.31 C ATOM 898 OG1 THR A 56 11.417 12.674 7.242 1.00 64.11 O ATOM 899 CG2 THR A 56 10.478 10.989 8.730 1.00 54.43 C ATOM 0 H THR A 56 8.283 9.847 7.159 1.00 64.20 H new ATOM 0 HA THR A 56 9.221 12.240 5.715 1.00 12.42 H new ATOM 0 HB THR A 56 9.522 12.792 8.081 1.00 74.31 H new ATOM 0 HG1 THR A 56 11.865 13.054 8.026 1.00 64.11 H new ATOM 0 HG21 THR A 56 10.990 11.459 9.570 1.00 54.43 H new ATOM 0 HG22 THR A 56 9.540 10.554 9.075 1.00 54.43 H new ATOM 0 HG23 THR A 56 11.110 10.205 8.313 1.00 54.43 H new ATOM 907 N VAL A 57 11.384 10.901 4.971 1.00 13.42 N ATOM 908 CA VAL A 57 12.361 10.059 4.241 1.00 34.43 C ATOM 909 C VAL A 57 13.254 9.281 5.247 1.00 75.11 C ATOM 910 O VAL A 57 14.026 9.884 6.003 1.00 21.32 O ATOM 911 CB VAL A 57 13.237 10.949 3.277 1.00 1.20 C ATOM 912 CG1 VAL A 57 14.290 10.105 2.520 1.00 15.44 C ATOM 913 CG2 VAL A 57 12.340 11.737 2.281 1.00 4.32 C ATOM 0 H VAL A 57 11.561 11.901 4.881 1.00 13.42 H new ATOM 0 HA VAL A 57 11.820 9.333 3.633 1.00 34.43 H new ATOM 0 HB VAL A 57 13.775 11.667 3.895 1.00 1.20 H new ATOM 0 HG11 VAL A 57 14.874 10.753 1.866 1.00 15.44 H new ATOM 0 HG12 VAL A 57 14.953 9.621 3.238 1.00 15.44 H new ATOM 0 HG13 VAL A 57 13.786 9.345 1.922 1.00 15.44 H new ATOM 0 HG21 VAL A 57 12.967 12.343 1.627 1.00 4.32 H new ATOM 0 HG22 VAL A 57 11.761 11.036 1.680 1.00 4.32 H new ATOM 0 HG23 VAL A 57 11.662 12.385 2.836 1.00 4.32 H new ATOM 923 N GLY A 58 13.108 7.942 5.270 1.00 21.24 N ATOM 924 CA GLY A 58 13.807 7.083 6.246 1.00 73.02 C ATOM 925 C GLY A 58 12.995 6.819 7.526 1.00 50.54 C ATOM 926 O GLY A 58 13.445 6.072 8.408 1.00 24.41 O ATOM 0 H GLY A 58 12.510 7.430 4.621 1.00 21.24 H new ATOM 0 HA2 GLY A 58 14.045 6.130 5.774 1.00 73.02 H new ATOM 0 HA3 GLY A 58 14.754 7.550 6.516 1.00 73.02 H new ATOM 930 N GLY A 59 11.794 7.429 7.616 1.00 45.50 N ATOM 931 CA GLY A 59 10.908 7.283 8.788 1.00 1.01 C ATOM 932 C GLY A 59 10.025 6.042 8.718 1.00 74.40 C ATOM 933 O GLY A 59 9.834 5.470 7.644 1.00 14.32 O ATOM 0 H GLY A 59 11.415 8.031 6.885 1.00 45.50 H new ATOM 0 HA2 GLY A 59 11.515 7.239 9.692 1.00 1.01 H new ATOM 0 HA3 GLY A 59 10.276 8.167 8.871 1.00 1.01 H new ATOM 937 N LYS A 60 9.470 5.617 9.871 1.00 34.30 N ATOM 938 CA LYS A 60 8.724 4.336 9.976 1.00 1.34 C ATOM 939 C LYS A 60 7.316 4.506 10.591 1.00 43.31 C ATOM 940 O LYS A 60 6.997 5.526 11.197 1.00 71.20 O ATOM 941 CB LYS A 60 9.537 3.303 10.801 1.00 22.23 C ATOM 942 CG LYS A 60 10.925 2.960 10.217 1.00 51.31 C ATOM 943 CD LYS A 60 11.613 1.777 10.932 1.00 31.54 C ATOM 944 CE LYS A 60 10.854 0.442 10.762 1.00 64.40 C ATOM 945 NZ LYS A 60 11.541 -0.678 11.455 1.00 3.11 N ATOM 0 H LYS A 60 9.522 6.139 10.746 1.00 34.30 H new ATOM 0 HA LYS A 60 8.588 3.973 8.957 1.00 1.34 H new ATOM 0 HB2 LYS A 60 9.668 3.688 11.812 1.00 22.23 H new ATOM 0 HB3 LYS A 60 8.955 2.385 10.883 1.00 22.23 H new ATOM 0 HG2 LYS A 60 10.818 2.723 9.159 1.00 51.31 H new ATOM 0 HG3 LYS A 60 11.567 3.839 10.283 1.00 51.31 H new ATOM 0 HD2 LYS A 60 12.625 1.665 10.544 1.00 31.54 H new ATOM 0 HD3 LYS A 60 11.702 2.005 11.994 1.00 31.54 H new ATOM 0 HE2 LYS A 60 9.843 0.547 11.155 1.00 64.40 H new ATOM 0 HE3 LYS A 60 10.761 0.210 9.701 1.00 64.40 H new ATOM 0 HZ1 LYS A 60 11.000 -1.556 11.317 1.00 3.11 H new ATOM 0 HZ2 LYS A 60 12.497 -0.795 11.062 1.00 3.11 H new ATOM 0 HZ3 LYS A 60 11.607 -0.469 12.472 1.00 3.11 H new ATOM 959 N ALA A 61 6.497 3.453 10.443 1.00 44.52 N ATOM 960 CA ALA A 61 5.120 3.405 10.972 1.00 21.12 C ATOM 961 C ALA A 61 4.836 2.029 11.610 1.00 41.31 C ATOM 962 O ALA A 61 5.233 0.994 11.067 1.00 43.24 O ATOM 963 CB ALA A 61 4.108 3.717 9.854 1.00 61.44 C ATOM 0 H ALA A 61 6.771 2.603 9.950 1.00 44.52 H new ATOM 0 HA ALA A 61 5.014 4.164 11.747 1.00 21.12 H new ATOM 0 HB1 ALA A 61 3.096 3.678 10.258 1.00 61.44 H new ATOM 0 HB2 ALA A 61 4.302 4.713 9.455 1.00 61.44 H new ATOM 0 HB3 ALA A 61 4.209 2.981 9.056 1.00 61.44 H new ATOM 969 N ALA A 62 4.161 2.032 12.770 1.00 40.54 N ATOM 970 CA ALA A 62 3.771 0.798 13.489 1.00 13.02 C ATOM 971 C ALA A 62 2.243 0.676 13.491 1.00 12.01 C ATOM 972 O ALA A 62 1.542 1.660 13.758 1.00 44.43 O ATOM 973 CB ALA A 62 4.314 0.801 14.929 1.00 33.31 C ATOM 0 H ALA A 62 3.868 2.888 13.240 1.00 40.54 H new ATOM 0 HA ALA A 62 4.204 -0.061 12.976 1.00 13.02 H new ATOM 0 HB1 ALA A 62 4.012 -0.117 15.433 1.00 33.31 H new ATOM 0 HB2 ALA A 62 5.402 0.863 14.907 1.00 33.31 H new ATOM 0 HB3 ALA A 62 3.913 1.660 15.467 1.00 33.31 H new ATOM 979 N TYR A 63 1.738 -0.525 13.180 1.00 52.04 N ATOM 980 CA TYR A 63 0.288 -0.785 13.104 1.00 23.21 C ATOM 981 C TYR A 63 -0.031 -2.279 13.290 1.00 5.13 C ATOM 982 O TYR A 63 0.865 -3.132 13.327 1.00 5.22 O ATOM 983 CB TYR A 63 -0.292 -0.273 11.750 1.00 64.51 C ATOM 984 CG TYR A 63 0.321 -0.927 10.493 1.00 13.32 C ATOM 985 CD1 TYR A 63 1.507 -0.440 9.933 1.00 32.14 C ATOM 986 CD2 TYR A 63 -0.284 -2.027 9.871 1.00 73.41 C ATOM 987 CE1 TYR A 63 2.059 -1.018 8.810 1.00 72.44 C ATOM 988 CE2 TYR A 63 0.272 -2.609 8.747 1.00 22.22 C ATOM 989 CZ TYR A 63 1.445 -2.099 8.220 1.00 63.01 C ATOM 990 OH TYR A 63 2.000 -2.672 7.096 1.00 24.11 O ATOM 0 H TYR A 63 2.315 -1.341 12.975 1.00 52.04 H new ATOM 0 HA TYR A 63 -0.185 -0.239 13.920 1.00 23.21 H new ATOM 0 HB2 TYR A 63 -1.368 -0.446 11.744 1.00 64.51 H new ATOM 0 HB3 TYR A 63 -0.142 0.805 11.691 1.00 64.51 H new ATOM 0 HD1 TYR A 63 2.000 0.406 10.390 1.00 32.14 H new ATOM 0 HD2 TYR A 63 -1.201 -2.427 10.277 1.00 73.41 H new ATOM 0 HE1 TYR A 63 2.973 -0.622 8.393 1.00 72.44 H new ATOM 0 HE2 TYR A 63 -0.207 -3.458 8.282 1.00 22.22 H new ATOM 0 HH TYR A 63 1.445 -3.425 6.805 1.00 24.11 H new ATOM 1000 N TYR A 64 -1.333 -2.573 13.406 1.00 32.21 N ATOM 1001 CA TYR A 64 -1.857 -3.949 13.431 1.00 12.34 C ATOM 1002 C TYR A 64 -3.317 -3.963 12.924 1.00 3.02 C ATOM 1003 O TYR A 64 -4.127 -3.127 13.327 1.00 0.15 O ATOM 1004 CB TYR A 64 -1.739 -4.554 14.866 1.00 24.13 C ATOM 1005 CG TYR A 64 -2.402 -3.716 15.977 1.00 32.35 C ATOM 1006 CD1 TYR A 64 -1.745 -2.620 16.556 1.00 53.20 C ATOM 1007 CD2 TYR A 64 -3.686 -4.017 16.442 1.00 13.31 C ATOM 1008 CE1 TYR A 64 -2.344 -1.870 17.547 1.00 2.42 C ATOM 1009 CE2 TYR A 64 -4.288 -3.266 17.433 1.00 61.12 C ATOM 1010 CZ TYR A 64 -3.614 -2.195 17.984 1.00 74.52 C ATOM 1011 OH TYR A 64 -4.217 -1.446 18.975 1.00 51.11 O ATOM 0 H TYR A 64 -2.058 -1.860 13.486 1.00 32.21 H new ATOM 0 HA TYR A 64 -1.261 -4.573 12.765 1.00 12.34 H new ATOM 0 HB2 TYR A 64 -2.186 -5.548 14.864 1.00 24.13 H new ATOM 0 HB3 TYR A 64 -0.683 -4.680 15.106 1.00 24.13 H new ATOM 0 HD1 TYR A 64 -0.752 -2.359 16.220 1.00 53.20 H new ATOM 0 HD2 TYR A 64 -4.219 -4.855 16.017 1.00 13.31 H new ATOM 0 HE1 TYR A 64 -1.821 -1.030 17.981 1.00 2.42 H new ATOM 0 HE2 TYR A 64 -5.281 -3.516 17.775 1.00 61.12 H new ATOM 0 HH TYR A 64 -5.108 -1.809 19.163 1.00 51.11 H new ATOM 1021 N MET A 65 -3.644 -4.920 12.046 1.00 45.24 N ATOM 1022 CA MET A 65 -4.990 -5.040 11.454 1.00 1.11 C ATOM 1023 C MET A 65 -5.887 -5.917 12.348 1.00 2.14 C ATOM 1024 O MET A 65 -5.672 -7.125 12.445 1.00 31.22 O ATOM 1025 CB MET A 65 -4.902 -5.640 10.027 1.00 61.25 C ATOM 1026 CG MET A 65 -4.100 -4.799 9.025 1.00 62.20 C ATOM 1027 SD MET A 65 -4.080 -5.513 7.362 1.00 41.33 S ATOM 1028 CE MET A 65 -3.318 -7.113 7.642 1.00 65.20 C ATOM 0 H MET A 65 -2.988 -5.632 11.725 1.00 45.24 H new ATOM 0 HA MET A 65 -5.430 -4.045 11.384 1.00 1.11 H new ATOM 0 HB2 MET A 65 -4.452 -6.631 10.091 1.00 61.25 H new ATOM 0 HB3 MET A 65 -5.913 -5.774 9.641 1.00 61.25 H new ATOM 0 HG2 MET A 65 -4.524 -3.796 8.979 1.00 62.20 H new ATOM 0 HG3 MET A 65 -3.076 -4.696 9.383 1.00 62.20 H new ATOM 0 HE1 MET A 65 -3.004 -7.538 6.689 1.00 65.20 H new ATOM 0 HE2 MET A 65 -2.449 -6.994 8.290 1.00 65.20 H new ATOM 0 HE3 MET A 65 -4.037 -7.780 8.118 1.00 65.20 H new ATOM 1038 N THR A 66 -6.876 -5.298 13.011 1.00 74.44 N ATOM 1039 CA THR A 66 -7.820 -6.025 13.887 1.00 30.22 C ATOM 1040 C THR A 66 -8.813 -6.842 13.029 1.00 1.53 C ATOM 1041 O THR A 66 -9.666 -6.273 12.352 1.00 63.41 O ATOM 1042 CB THR A 66 -8.604 -5.056 14.839 1.00 32.33 C ATOM 1043 OG1 THR A 66 -7.673 -4.276 15.619 1.00 74.42 O ATOM 1044 CG2 THR A 66 -9.554 -5.820 15.796 1.00 42.02 C ATOM 0 H THR A 66 -7.046 -4.294 12.960 1.00 74.44 H new ATOM 0 HA THR A 66 -7.236 -6.699 14.514 1.00 30.22 H new ATOM 0 HB THR A 66 -9.211 -4.405 14.210 1.00 32.33 H new ATOM 0 HG1 THR A 66 -8.168 -3.671 16.211 1.00 74.42 H new ATOM 0 HG21 THR A 66 -10.075 -5.108 16.436 1.00 42.02 H new ATOM 0 HG22 THR A 66 -10.282 -6.384 15.213 1.00 42.02 H new ATOM 0 HG23 THR A 66 -8.974 -6.506 16.413 1.00 42.02 H new ATOM 1052 N GLY A 67 -8.670 -8.174 13.058 1.00 3.24 N ATOM 1053 CA GLY A 67 -9.503 -9.077 12.249 1.00 1.41 C ATOM 1054 C GLY A 67 -10.957 -9.193 12.719 1.00 63.34 C ATOM 1055 O GLY A 67 -11.286 -8.751 13.827 1.00 14.44 O ATOM 0 H GLY A 67 -7.981 -8.653 13.637 1.00 3.24 H new ATOM 0 HA2 GLY A 67 -9.495 -8.730 11.216 1.00 1.41 H new ATOM 0 HA3 GLY A 67 -9.052 -10.069 12.255 1.00 1.41 H new ATOM 1059 N PRO A 68 -11.859 -9.821 11.892 1.00 1.00 N ATOM 1060 CA PRO A 68 -13.302 -9.990 12.237 1.00 54.43 C ATOM 1061 C PRO A 68 -13.519 -10.881 13.490 1.00 32.35 C ATOM 1062 O PRO A 68 -14.498 -10.719 14.225 1.00 42.01 O ATOM 1063 CB PRO A 68 -13.896 -10.644 10.953 1.00 34.43 C ATOM 1064 CG PRO A 68 -12.725 -11.323 10.303 1.00 52.42 C ATOM 1065 CD PRO A 68 -11.546 -10.413 10.561 1.00 52.34 C ATOM 0 HA PRO A 68 -13.779 -9.047 12.503 1.00 54.43 H new ATOM 0 HB2 PRO A 68 -14.683 -11.357 11.198 1.00 34.43 H new ATOM 0 HB3 PRO A 68 -14.338 -9.896 10.294 1.00 34.43 H new ATOM 0 HG2 PRO A 68 -12.559 -12.313 10.727 1.00 52.42 H new ATOM 0 HG3 PRO A 68 -12.892 -11.458 9.234 1.00 52.42 H new ATOM 0 HD2 PRO A 68 -10.607 -10.966 10.577 1.00 52.34 H new ATOM 0 HD3 PRO A 68 -11.452 -9.647 9.791 1.00 52.34 H new ATOM 1073 N ASP A 69 -12.582 -11.821 13.714 1.00 70.33 N ATOM 1074 CA ASP A 69 -12.610 -12.746 14.875 1.00 54.43 C ATOM 1075 C ASP A 69 -11.787 -12.193 16.070 1.00 62.05 C ATOM 1076 O ASP A 69 -11.713 -12.821 17.133 1.00 11.00 O ATOM 1077 CB ASP A 69 -12.060 -14.126 14.436 1.00 62.42 C ATOM 1078 CG ASP A 69 -12.647 -14.593 13.093 1.00 35.55 C ATOM 1079 OD1 ASP A 69 -13.836 -14.961 13.050 1.00 51.33 O ATOM 1080 OD2 ASP A 69 -11.920 -14.565 12.073 1.00 2.11 O ATOM 0 H ASP A 69 -11.782 -11.965 13.098 1.00 70.33 H new ATOM 0 HA ASP A 69 -13.642 -12.847 15.213 1.00 54.43 H new ATOM 0 HB2 ASP A 69 -10.974 -14.072 14.355 1.00 62.42 H new ATOM 0 HB3 ASP A 69 -12.286 -14.865 15.205 1.00 62.42 H new ATOM 1085 N GLY A 70 -11.182 -11.005 15.879 1.00 73.42 N ATOM 1086 CA GLY A 70 -10.318 -10.371 16.888 1.00 21.22 C ATOM 1087 C GLY A 70 -8.818 -10.598 16.653 1.00 73.23 C ATOM 1088 O GLY A 70 -7.986 -10.060 17.395 1.00 61.43 O ATOM 0 H GLY A 70 -11.279 -10.460 15.022 1.00 73.42 H new ATOM 0 HA2 GLY A 70 -10.516 -9.299 16.900 1.00 21.22 H new ATOM 0 HA3 GLY A 70 -10.584 -10.755 17.873 1.00 21.22 H new ATOM 1092 N THR A 71 -8.475 -11.390 15.616 1.00 60.05 N ATOM 1093 CA THR A 71 -7.068 -11.701 15.255 1.00 15.13 C ATOM 1094 C THR A 71 -6.333 -10.439 14.738 1.00 72.33 C ATOM 1095 O THR A 71 -6.566 -9.997 13.620 1.00 51.51 O ATOM 1096 CB THR A 71 -6.992 -12.839 14.170 1.00 22.31 C ATOM 1097 OG1 THR A 71 -7.692 -14.000 14.639 1.00 21.12 O ATOM 1098 CG2 THR A 71 -5.537 -13.232 13.823 1.00 71.42 C ATOM 0 H THR A 71 -9.160 -11.833 15.004 1.00 60.05 H new ATOM 0 HA THR A 71 -6.575 -12.051 16.162 1.00 15.13 H new ATOM 0 HB THR A 71 -7.455 -12.449 13.264 1.00 22.31 H new ATOM 0 HG1 THR A 71 -7.645 -14.706 13.961 1.00 21.12 H new ATOM 0 HG21 THR A 71 -5.543 -14.020 13.070 1.00 71.42 H new ATOM 0 HG22 THR A 71 -5.008 -12.362 13.433 1.00 71.42 H new ATOM 0 HG23 THR A 71 -5.033 -13.591 14.720 1.00 71.42 H new ATOM 1106 N LYS A 72 -5.476 -9.852 15.581 1.00 45.32 N ATOM 1107 CA LYS A 72 -4.678 -8.662 15.222 1.00 74.33 C ATOM 1108 C LYS A 72 -3.387 -9.077 14.481 1.00 72.12 C ATOM 1109 O LYS A 72 -2.509 -9.725 15.065 1.00 1.03 O ATOM 1110 CB LYS A 72 -4.352 -7.850 16.504 1.00 53.02 C ATOM 1111 CG LYS A 72 -5.603 -7.289 17.224 1.00 41.11 C ATOM 1112 CD LYS A 72 -5.276 -6.698 18.612 1.00 12.43 C ATOM 1113 CE LYS A 72 -6.513 -6.129 19.334 1.00 73.13 C ATOM 1114 NZ LYS A 72 -6.205 -5.723 20.731 1.00 2.32 N ATOM 0 H LYS A 72 -5.312 -10.184 16.531 1.00 45.32 H new ATOM 0 HA LYS A 72 -5.256 -8.031 14.547 1.00 74.33 H new ATOM 0 HB2 LYS A 72 -3.801 -8.487 17.196 1.00 53.02 H new ATOM 0 HB3 LYS A 72 -3.694 -7.022 16.241 1.00 53.02 H new ATOM 0 HG2 LYS A 72 -6.059 -6.518 16.603 1.00 41.11 H new ATOM 0 HG3 LYS A 72 -6.340 -8.084 17.337 1.00 41.11 H new ATOM 0 HD2 LYS A 72 -4.825 -7.472 19.233 1.00 12.43 H new ATOM 0 HD3 LYS A 72 -4.534 -5.908 18.498 1.00 12.43 H new ATOM 0 HE2 LYS A 72 -6.891 -5.269 18.782 1.00 73.13 H new ATOM 0 HE3 LYS A 72 -7.305 -6.878 19.340 1.00 73.13 H new ATOM 0 HZ1 LYS A 72 -7.064 -5.346 21.180 1.00 2.32 H new ATOM 0 HZ2 LYS A 72 -5.868 -6.549 21.266 1.00 2.32 H new ATOM 0 HZ3 LYS A 72 -5.467 -4.990 20.725 1.00 2.32 H new ATOM 1128 N ALA A 73 -3.290 -8.720 13.186 1.00 44.32 N ATOM 1129 CA ALA A 73 -2.104 -9.014 12.354 1.00 51.12 C ATOM 1130 C ALA A 73 -1.154 -7.805 12.363 1.00 75.34 C ATOM 1131 O ALA A 73 -1.390 -6.810 11.667 1.00 1.20 O ATOM 1132 CB ALA A 73 -2.516 -9.373 10.918 1.00 43.02 C ATOM 0 H ALA A 73 -4.027 -8.222 12.687 1.00 44.32 H new ATOM 0 HA ALA A 73 -1.585 -9.876 12.774 1.00 51.12 H new ATOM 0 HB1 ALA A 73 -1.626 -9.585 10.326 1.00 43.02 H new ATOM 0 HB2 ALA A 73 -3.159 -10.253 10.933 1.00 43.02 H new ATOM 0 HB3 ALA A 73 -3.056 -8.536 10.474 1.00 43.02 H new ATOM 1138 N ARG A 74 -0.087 -7.896 13.167 1.00 20.51 N ATOM 1139 CA ARG A 74 0.896 -6.812 13.323 1.00 34.13 C ATOM 1140 C ARG A 74 1.755 -6.642 12.053 1.00 1.40 C ATOM 1141 O ARG A 74 2.229 -7.618 11.472 1.00 2.45 O ATOM 1142 CB ARG A 74 1.768 -7.069 14.579 1.00 61.54 C ATOM 1143 CG ARG A 74 2.965 -6.107 14.768 1.00 20.45 C ATOM 1144 CD ARG A 74 3.522 -6.119 16.205 1.00 24.42 C ATOM 1145 NE ARG A 74 2.554 -5.563 17.160 1.00 34.24 N ATOM 1146 CZ ARG A 74 2.419 -4.284 17.448 1.00 3.35 C ATOM 1147 NH1 ARG A 74 3.240 -3.398 16.971 1.00 2.31 N ATOM 1148 NH2 ARG A 74 1.470 -3.899 18.228 1.00 61.23 N ATOM 0 H ARG A 74 0.121 -8.722 13.728 1.00 20.51 H new ATOM 0 HA ARG A 74 0.361 -5.873 13.464 1.00 34.13 H new ATOM 0 HB2 ARG A 74 1.131 -7.006 15.461 1.00 61.54 H new ATOM 0 HB3 ARG A 74 2.148 -8.089 14.533 1.00 61.54 H new ATOM 0 HG2 ARG A 74 3.759 -6.382 14.074 1.00 20.45 H new ATOM 0 HG3 ARG A 74 2.655 -5.094 14.512 1.00 20.45 H new ATOM 0 HD2 ARG A 74 3.772 -7.141 16.491 1.00 24.42 H new ATOM 0 HD3 ARG A 74 4.446 -5.542 16.244 1.00 24.42 H new ATOM 0 HE ARG A 74 1.937 -6.219 17.638 1.00 34.24 H new ATOM 0 HH11 ARG A 74 4.005 -3.688 16.362 1.00 2.31 H new ATOM 0 HH12 ARG A 74 3.119 -2.413 17.205 1.00 2.31 H new ATOM 0 HH21 ARG A 74 0.824 -4.583 18.622 1.00 61.23 H new ATOM 0 HH22 ARG A 74 1.364 -2.910 18.452 1.00 61.23 H new ATOM 1162 N GLY A 75 1.915 -5.388 11.617 1.00 22.34 N ATOM 1163 CA GLY A 75 2.747 -5.052 10.464 1.00 44.22 C ATOM 1164 C GLY A 75 3.667 -3.873 10.749 1.00 41.13 C ATOM 1165 O GLY A 75 3.303 -2.951 11.493 1.00 43.42 O ATOM 0 H GLY A 75 1.471 -4.581 12.055 1.00 22.34 H new ATOM 0 HA2 GLY A 75 3.345 -5.919 10.183 1.00 44.22 H new ATOM 0 HA3 GLY A 75 2.109 -4.816 9.613 1.00 44.22 H new ATOM 1169 N TRP A 76 4.862 -3.907 10.157 1.00 55.41 N ATOM 1170 CA TRP A 76 5.821 -2.787 10.206 1.00 64.33 C ATOM 1171 C TRP A 76 5.778 -2.040 8.862 1.00 25.23 C ATOM 1172 O TRP A 76 5.356 -2.601 7.843 1.00 53.10 O ATOM 1173 CB TRP A 76 7.259 -3.292 10.521 1.00 73.35 C ATOM 1174 CG TRP A 76 7.853 -4.196 9.459 1.00 72.24 C ATOM 1175 CD1 TRP A 76 7.693 -5.546 9.345 1.00 2.13 C ATOM 1176 CD2 TRP A 76 8.700 -3.803 8.366 1.00 60.03 C ATOM 1177 NE1 TRP A 76 8.360 -6.011 8.244 1.00 43.10 N ATOM 1178 CE2 TRP A 76 8.989 -4.963 7.630 1.00 41.53 C ATOM 1179 CE3 TRP A 76 9.232 -2.580 7.933 1.00 24.30 C ATOM 1180 CZ2 TRP A 76 9.780 -4.941 6.489 1.00 30.25 C ATOM 1181 CZ3 TRP A 76 10.025 -2.560 6.802 1.00 2.24 C ATOM 1182 CH2 TRP A 76 10.289 -3.735 6.090 1.00 12.53 C ATOM 0 H TRP A 76 5.199 -4.711 9.627 1.00 55.41 H new ATOM 0 HA TRP A 76 5.541 -2.105 11.009 1.00 64.33 H new ATOM 0 HB2 TRP A 76 7.913 -2.430 10.654 1.00 73.35 H new ATOM 0 HB3 TRP A 76 7.243 -3.829 11.470 1.00 73.35 H new ATOM 0 HD1 TRP A 76 7.122 -6.160 10.026 1.00 2.13 H new ATOM 0 HE1 TRP A 76 8.384 -6.982 7.932 1.00 43.10 H new ATOM 0 HE3 TRP A 76 9.025 -1.669 8.475 1.00 24.30 H new ATOM 0 HZ2 TRP A 76 9.987 -5.845 5.935 1.00 30.25 H new ATOM 0 HZ3 TRP A 76 10.447 -1.625 6.463 1.00 2.24 H new ATOM 0 HH2 TRP A 76 10.908 -3.689 5.206 1.00 12.53 H new ATOM 1193 N TRP A 77 6.184 -0.773 8.867 1.00 73.54 N ATOM 1194 CA TRP A 77 6.241 0.051 7.637 1.00 24.21 C ATOM 1195 C TRP A 77 7.483 0.964 7.673 1.00 33.51 C ATOM 1196 O TRP A 77 7.907 1.376 8.754 1.00 63.45 O ATOM 1197 CB TRP A 77 4.920 0.885 7.536 1.00 61.24 C ATOM 1198 CG TRP A 77 4.289 0.958 6.168 1.00 0.11 C ATOM 1199 CD1 TRP A 77 4.299 0.000 5.192 1.00 13.35 C ATOM 1200 CD2 TRP A 77 3.501 2.037 5.659 1.00 62.32 C ATOM 1201 NE1 TRP A 77 3.597 0.437 4.103 1.00 24.11 N ATOM 1202 CE2 TRP A 77 3.094 1.686 4.366 1.00 62.41 C ATOM 1203 CE3 TRP A 77 3.108 3.269 6.171 1.00 42.32 C ATOM 1204 CZ2 TRP A 77 2.315 2.527 3.578 1.00 62.12 C ATOM 1205 CZ3 TRP A 77 2.336 4.097 5.387 1.00 75.04 C ATOM 1206 CH2 TRP A 77 1.946 3.727 4.102 1.00 50.23 C ATOM 0 H TRP A 77 6.483 -0.281 9.709 1.00 73.54 H new ATOM 0 HA TRP A 77 6.327 -0.584 6.755 1.00 24.21 H new ATOM 0 HB2 TRP A 77 4.192 0.462 8.228 1.00 61.24 H new ATOM 0 HB3 TRP A 77 5.128 1.900 7.874 1.00 61.24 H new ATOM 0 HD1 TRP A 77 4.789 -0.959 5.270 1.00 13.35 H new ATOM 0 HE1 TRP A 77 3.468 -0.082 3.235 1.00 24.11 H new ATOM 0 HE3 TRP A 77 3.403 3.571 7.165 1.00 42.32 H new ATOM 0 HZ2 TRP A 77 2.013 2.237 2.583 1.00 62.12 H new ATOM 0 HZ3 TRP A 77 2.026 5.055 5.777 1.00 75.04 H new ATOM 0 HH2 TRP A 77 1.342 4.402 3.514 1.00 50.23 H new ATOM 1217 N GLN A 78 8.066 1.275 6.498 1.00 23.11 N ATOM 1218 CA GLN A 78 9.226 2.194 6.411 1.00 52.02 C ATOM 1219 C GLN A 78 9.296 2.914 5.050 1.00 52.52 C ATOM 1220 O GLN A 78 9.452 2.279 4.014 1.00 1.51 O ATOM 1221 CB GLN A 78 10.558 1.443 6.693 1.00 53.12 C ATOM 1222 CG GLN A 78 11.816 2.344 6.612 1.00 13.30 C ATOM 1223 CD GLN A 78 13.072 1.723 7.229 1.00 14.25 C ATOM 1224 OE1 GLN A 78 13.242 0.509 7.254 1.00 5.32 O ATOM 1225 NE2 GLN A 78 13.961 2.557 7.733 1.00 4.52 N ATOM 0 H GLN A 78 7.757 0.907 5.598 1.00 23.11 H new ATOM 0 HA GLN A 78 9.083 2.954 7.179 1.00 52.02 H new ATOM 0 HB2 GLN A 78 10.508 0.994 7.685 1.00 53.12 H new ATOM 0 HB3 GLN A 78 10.661 0.626 5.979 1.00 53.12 H new ATOM 0 HG2 GLN A 78 12.016 2.577 5.566 1.00 13.30 H new ATOM 0 HG3 GLN A 78 11.606 3.288 7.115 1.00 13.30 H new ATOM 0 HE21 GLN A 78 13.794 3.563 7.699 1.00 4.52 H new ATOM 0 HE22 GLN A 78 14.816 2.196 8.157 1.00 4.52 H new ATOM 1234 N PHE A 79 9.207 4.254 5.089 1.00 30.45 N ATOM 1235 CA PHE A 79 9.325 5.119 3.897 1.00 13.21 C ATOM 1236 C PHE A 79 10.796 5.279 3.466 1.00 33.05 C ATOM 1237 O PHE A 79 11.669 5.553 4.297 1.00 60.10 O ATOM 1238 CB PHE A 79 8.733 6.514 4.187 1.00 25.32 C ATOM 1239 CG PHE A 79 7.285 6.491 4.656 1.00 42.43 C ATOM 1240 CD1 PHE A 79 6.238 6.385 3.743 1.00 32.02 C ATOM 1241 CD2 PHE A 79 6.970 6.584 6.012 1.00 33.13 C ATOM 1242 CE1 PHE A 79 4.929 6.377 4.170 1.00 74.31 C ATOM 1243 CE2 PHE A 79 5.660 6.579 6.437 1.00 63.34 C ATOM 1244 CZ PHE A 79 4.643 6.477 5.517 1.00 30.42 C ATOM 0 H PHE A 79 9.050 4.773 5.953 1.00 30.45 H new ATOM 0 HA PHE A 79 8.770 4.642 3.089 1.00 13.21 H new ATOM 0 HB2 PHE A 79 9.342 7.004 4.947 1.00 25.32 H new ATOM 0 HB3 PHE A 79 8.801 7.120 3.284 1.00 25.32 H new ATOM 0 HD1 PHE A 79 6.456 6.308 2.688 1.00 32.02 H new ATOM 0 HD2 PHE A 79 7.765 6.661 6.739 1.00 33.13 H new ATOM 0 HE1 PHE A 79 4.127 6.293 3.452 1.00 74.31 H new ATOM 0 HE2 PHE A 79 5.432 6.655 7.490 1.00 63.34 H new ATOM 0 HZ PHE A 79 3.616 6.475 5.850 1.00 30.42 H new ATOM 1254 N THR A 80 11.061 5.113 2.163 1.00 52.35 N ATOM 1255 CA THR A 80 12.409 5.295 1.581 1.00 20.52 C ATOM 1256 C THR A 80 12.524 6.636 0.822 1.00 0.23 C ATOM 1257 O THR A 80 13.508 7.364 0.981 1.00 14.10 O ATOM 1258 CB THR A 80 12.764 4.125 0.609 1.00 32.13 C ATOM 1259 OG1 THR A 80 11.877 4.137 -0.522 1.00 5.12 O ATOM 1260 CG2 THR A 80 12.675 2.756 1.308 1.00 75.52 C ATOM 0 H THR A 80 10.352 4.849 1.479 1.00 52.35 H new ATOM 0 HA THR A 80 13.113 5.300 2.413 1.00 20.52 H new ATOM 0 HB THR A 80 13.792 4.275 0.279 1.00 32.13 H new ATOM 0 HG1 THR A 80 12.382 3.930 -1.336 1.00 5.12 H new ATOM 0 HG21 THR A 80 12.929 1.968 0.599 1.00 75.52 H new ATOM 0 HG22 THR A 80 13.372 2.729 2.145 1.00 75.52 H new ATOM 0 HG23 THR A 80 11.661 2.600 1.675 1.00 75.52 H new ATOM 1268 N THR A 81 11.495 6.972 0.012 1.00 15.14 N ATOM 1269 CA THR A 81 11.536 8.132 -0.917 1.00 33.35 C ATOM 1270 C THR A 81 10.203 8.913 -0.880 1.00 2.24 C ATOM 1271 O THR A 81 9.205 8.476 -1.452 1.00 41.34 O ATOM 1272 CB THR A 81 11.825 7.668 -2.398 1.00 32.21 C ATOM 1273 OG1 THR A 81 12.996 6.839 -2.442 1.00 42.51 O ATOM 1274 CG2 THR A 81 12.013 8.853 -3.368 1.00 34.44 C ATOM 0 H THR A 81 10.617 6.453 -0.019 1.00 15.14 H new ATOM 0 HA THR A 81 12.345 8.783 -0.586 1.00 33.35 H new ATOM 0 HB THR A 81 10.949 7.106 -2.722 1.00 32.21 H new ATOM 0 HG1 THR A 81 13.163 6.557 -3.366 1.00 42.51 H new ATOM 0 HG21 THR A 81 12.209 8.474 -4.371 1.00 34.44 H new ATOM 0 HG22 THR A 81 11.108 9.461 -3.380 1.00 34.44 H new ATOM 0 HG23 THR A 81 12.855 9.462 -3.039 1.00 34.44 H new ATOM 1282 N ILE A 82 10.188 10.065 -0.185 1.00 15.31 N ATOM 1283 CA ILE A 82 9.018 10.978 -0.160 1.00 21.32 C ATOM 1284 C ILE A 82 9.386 12.305 -0.860 1.00 13.03 C ATOM 1285 O ILE A 82 10.051 13.166 -0.275 1.00 40.42 O ATOM 1286 CB ILE A 82 8.512 11.258 1.313 1.00 43.02 C ATOM 1287 CG1 ILE A 82 8.191 9.915 2.049 1.00 10.11 C ATOM 1288 CG2 ILE A 82 7.278 12.203 1.309 1.00 60.21 C ATOM 1289 CD1 ILE A 82 7.533 10.059 3.411 1.00 53.41 C ATOM 0 H ILE A 82 10.977 10.392 0.373 1.00 15.31 H new ATOM 0 HA ILE A 82 8.201 10.491 -0.693 1.00 21.32 H new ATOM 0 HB ILE A 82 9.311 11.761 1.858 1.00 43.02 H new ATOM 0 HG12 ILE A 82 7.540 9.318 1.411 1.00 10.11 H new ATOM 0 HG13 ILE A 82 9.119 9.356 2.170 1.00 10.11 H new ATOM 0 HG21 ILE A 82 6.951 12.379 2.334 1.00 60.21 H new ATOM 0 HG22 ILE A 82 7.548 13.152 0.847 1.00 60.21 H new ATOM 0 HG23 ILE A 82 6.468 11.742 0.744 1.00 60.21 H new ATOM 0 HD11 ILE A 82 7.353 9.071 3.835 1.00 53.41 H new ATOM 0 HD12 ILE A 82 8.188 10.624 4.074 1.00 53.41 H new ATOM 0 HD13 ILE A 82 6.585 10.585 3.303 1.00 53.41 H new ATOM 1301 N GLU A 83 8.981 12.439 -2.133 1.00 31.10 N ATOM 1302 CA GLU A 83 9.236 13.657 -2.937 1.00 74.22 C ATOM 1303 C GLU A 83 8.037 14.631 -2.859 1.00 3.03 C ATOM 1304 O GLU A 83 8.223 15.844 -2.675 1.00 63.34 O ATOM 1305 CB GLU A 83 9.551 13.261 -4.403 1.00 52.13 C ATOM 1306 CG GLU A 83 10.802 12.360 -4.540 1.00 31.44 C ATOM 1307 CD GLU A 83 11.184 11.961 -5.980 1.00 71.44 C ATOM 1308 OE1 GLU A 83 10.540 12.428 -6.949 1.00 43.32 O ATOM 1309 OE2 GLU A 83 12.126 11.153 -6.142 1.00 32.15 O ATOM 0 H GLU A 83 8.470 11.714 -2.636 1.00 31.10 H new ATOM 0 HA GLU A 83 10.102 14.178 -2.527 1.00 74.22 H new ATOM 0 HB2 GLU A 83 8.690 12.742 -4.824 1.00 52.13 H new ATOM 0 HB3 GLU A 83 9.698 14.166 -4.993 1.00 52.13 H new ATOM 0 HG2 GLU A 83 11.650 12.875 -4.088 1.00 31.44 H new ATOM 0 HG3 GLU A 83 10.637 11.451 -3.962 1.00 31.44 H new ATOM 1316 N ALA A 84 6.813 14.071 -3.018 1.00 60.51 N ATOM 1317 CA ALA A 84 5.521 14.798 -2.858 1.00 51.41 C ATOM 1318 C ALA A 84 5.245 15.861 -3.979 1.00 41.33 C ATOM 1319 O ALA A 84 6.175 16.481 -4.496 1.00 1.25 O ATOM 1320 CB ALA A 84 5.414 15.425 -1.444 1.00 4.13 C ATOM 0 H ALA A 84 6.689 13.089 -3.264 1.00 60.51 H new ATOM 0 HA ALA A 84 4.737 14.049 -2.972 1.00 51.41 H new ATOM 0 HB1 ALA A 84 4.464 15.950 -1.350 1.00 4.13 H new ATOM 0 HB2 ALA A 84 5.470 14.638 -0.692 1.00 4.13 H new ATOM 0 HB3 ALA A 84 6.233 16.128 -1.295 1.00 4.13 H new ATOM 1326 N PRO A 85 3.946 16.080 -4.397 1.00 14.43 N ATOM 1327 CA PRO A 85 2.753 15.323 -3.924 1.00 44.22 C ATOM 1328 C PRO A 85 2.430 14.068 -4.786 1.00 61.24 C ATOM 1329 O PRO A 85 1.328 13.532 -4.701 1.00 4.34 O ATOM 1330 CB PRO A 85 1.648 16.388 -4.063 1.00 40.04 C ATOM 1331 CG PRO A 85 2.011 17.106 -5.334 1.00 43.10 C ATOM 1332 CD PRO A 85 3.540 17.141 -5.369 1.00 65.30 C ATOM 0 HA PRO A 85 2.882 14.914 -2.922 1.00 44.22 H new ATOM 0 HB2 PRO A 85 0.659 15.934 -4.127 1.00 40.04 H new ATOM 0 HB3 PRO A 85 1.634 17.065 -3.209 1.00 40.04 H new ATOM 0 HG2 PRO A 85 1.611 16.586 -6.205 1.00 43.10 H new ATOM 0 HG3 PRO A 85 1.596 18.114 -5.346 1.00 43.10 H new ATOM 0 HD2 PRO A 85 3.922 16.934 -6.369 1.00 65.30 H new ATOM 0 HD3 PRO A 85 3.924 18.118 -5.077 1.00 65.30 H new ATOM 1340 N ASP A 86 3.399 13.607 -5.598 1.00 65.51 N ATOM 1341 CA ASP A 86 3.182 12.528 -6.591 1.00 15.12 C ATOM 1342 C ASP A 86 3.977 11.234 -6.251 1.00 61.35 C ATOM 1343 O ASP A 86 3.400 10.144 -6.194 1.00 21.30 O ATOM 1344 CB ASP A 86 3.550 13.059 -8.010 1.00 62.32 C ATOM 1345 CG ASP A 86 5.041 13.425 -8.175 1.00 62.22 C ATOM 1346 OD1 ASP A 86 5.546 14.272 -7.398 1.00 24.31 O ATOM 1347 OD2 ASP A 86 5.720 12.857 -9.060 1.00 64.03 O ATOM 0 H ASP A 86 4.353 13.968 -5.588 1.00 65.51 H new ATOM 0 HA ASP A 86 2.129 12.249 -6.565 1.00 15.12 H new ATOM 0 HB2 ASP A 86 3.288 12.302 -8.749 1.00 62.32 H new ATOM 0 HB3 ASP A 86 2.944 13.939 -8.226 1.00 62.32 H new ATOM 1352 N HIS A 87 5.297 11.368 -6.019 1.00 22.14 N ATOM 1353 CA HIS A 87 6.217 10.214 -5.897 1.00 22.43 C ATOM 1354 C HIS A 87 6.408 9.792 -4.417 1.00 3.32 C ATOM 1355 O HIS A 87 6.890 10.569 -3.581 1.00 20.22 O ATOM 1356 CB HIS A 87 7.576 10.570 -6.563 1.00 20.13 C ATOM 1357 CG HIS A 87 8.568 9.427 -6.741 1.00 30.41 C ATOM 1358 ND1 HIS A 87 9.710 9.558 -7.501 1.00 71.53 N ATOM 1359 CD2 HIS A 87 8.606 8.150 -6.258 1.00 3.14 C ATOM 1360 CE1 HIS A 87 10.398 8.436 -7.476 1.00 74.03 C ATOM 1361 NE2 HIS A 87 9.754 7.567 -6.733 1.00 13.24 N ATOM 0 H HIS A 87 5.756 12.272 -5.911 1.00 22.14 H new ATOM 0 HA HIS A 87 5.780 9.359 -6.412 1.00 22.43 H new ATOM 0 HB2 HIS A 87 7.373 11.001 -7.543 1.00 20.13 H new ATOM 0 HB3 HIS A 87 8.055 11.347 -5.967 1.00 20.13 H new ATOM 0 HD2 HIS A 87 7.869 7.685 -5.620 1.00 3.14 H new ATOM 0 HE1 HIS A 87 11.336 8.260 -7.982 1.00 74.03 H new ATOM 0 HE2 HIS A 87 10.058 6.613 -6.540 1.00 13.24 H new ATOM 1370 N LEU A 88 6.045 8.532 -4.136 1.00 15.31 N ATOM 1371 CA LEU A 88 6.221 7.871 -2.831 1.00 55.51 C ATOM 1372 C LEU A 88 6.839 6.476 -3.045 1.00 31.22 C ATOM 1373 O LEU A 88 6.499 5.782 -4.003 1.00 22.21 O ATOM 1374 CB LEU A 88 4.857 7.735 -2.107 1.00 60.10 C ATOM 1375 CG LEU A 88 4.868 7.068 -0.698 1.00 34.13 C ATOM 1376 CD1 LEU A 88 5.787 7.819 0.284 1.00 63.12 C ATOM 1377 CD2 LEU A 88 3.442 6.948 -0.130 1.00 11.23 C ATOM 0 H LEU A 88 5.608 7.925 -4.830 1.00 15.31 H new ATOM 0 HA LEU A 88 6.885 8.475 -2.212 1.00 55.51 H new ATOM 0 HB2 LEU A 88 4.426 8.731 -2.007 1.00 60.10 H new ATOM 0 HB3 LEU A 88 4.189 7.161 -2.749 1.00 60.10 H new ATOM 0 HG LEU A 88 5.272 6.063 -0.821 1.00 34.13 H new ATOM 0 HD11 LEU A 88 5.766 7.322 1.254 1.00 63.12 H new ATOM 0 HD12 LEU A 88 6.807 7.821 -0.101 1.00 63.12 H new ATOM 0 HD13 LEU A 88 5.439 8.846 0.395 1.00 63.12 H new ATOM 0 HD21 LEU A 88 3.480 6.479 0.853 1.00 11.23 H new ATOM 0 HD22 LEU A 88 3.001 7.941 -0.042 1.00 11.23 H new ATOM 0 HD23 LEU A 88 2.834 6.339 -0.799 1.00 11.23 H new ATOM 1389 N GLU A 89 7.782 6.101 -2.174 1.00 4.51 N ATOM 1390 CA GLU A 89 8.335 4.737 -2.097 1.00 24.11 C ATOM 1391 C GLU A 89 8.478 4.332 -0.624 1.00 43.25 C ATOM 1392 O GLU A 89 8.829 5.160 0.228 1.00 32.42 O ATOM 1393 CB GLU A 89 9.708 4.626 -2.812 1.00 33.11 C ATOM 1394 CG GLU A 89 9.656 4.800 -4.335 1.00 4.22 C ATOM 1395 CD GLU A 89 11.011 4.592 -5.020 1.00 63.44 C ATOM 1396 OE1 GLU A 89 11.413 3.421 -5.210 1.00 44.13 O ATOM 1397 OE2 GLU A 89 11.693 5.591 -5.343 1.00 32.42 O ATOM 0 H GLU A 89 8.190 6.741 -1.493 1.00 4.51 H new ATOM 0 HA GLU A 89 7.647 4.063 -2.608 1.00 24.11 H new ATOM 0 HB2 GLU A 89 10.380 5.378 -2.397 1.00 33.11 H new ATOM 0 HB3 GLU A 89 10.142 3.652 -2.586 1.00 33.11 H new ATOM 0 HG2 GLU A 89 8.936 4.094 -4.749 1.00 4.22 H new ATOM 0 HG3 GLU A 89 9.291 5.801 -4.566 1.00 4.22 H new ATOM 1404 N PHE A 90 8.196 3.057 -0.354 1.00 71.24 N ATOM 1405 CA PHE A 90 8.270 2.464 0.989 1.00 52.21 C ATOM 1406 C PHE A 90 8.396 0.936 0.895 1.00 14.51 C ATOM 1407 O PHE A 90 8.360 0.363 -0.195 1.00 11.01 O ATOM 1408 CB PHE A 90 7.030 2.869 1.852 1.00 14.03 C ATOM 1409 CG PHE A 90 5.669 2.531 1.244 1.00 42.13 C ATOM 1410 CD1 PHE A 90 5.121 1.252 1.354 1.00 12.53 C ATOM 1411 CD2 PHE A 90 4.933 3.497 0.565 1.00 45.03 C ATOM 1412 CE1 PHE A 90 3.891 0.961 0.806 1.00 24.15 C ATOM 1413 CE2 PHE A 90 3.705 3.203 0.019 1.00 13.45 C ATOM 1414 CZ PHE A 90 3.182 1.935 0.137 1.00 51.33 C ATOM 0 H PHE A 90 7.905 2.393 -1.072 1.00 71.24 H new ATOM 0 HA PHE A 90 9.160 2.853 1.484 1.00 52.21 H new ATOM 0 HB2 PHE A 90 7.108 2.378 2.822 1.00 14.03 H new ATOM 0 HB3 PHE A 90 7.071 3.943 2.034 1.00 14.03 H new ATOM 0 HD1 PHE A 90 5.668 0.481 1.875 1.00 12.53 H new ATOM 0 HD2 PHE A 90 5.333 4.495 0.465 1.00 45.03 H new ATOM 0 HE1 PHE A 90 3.481 -0.034 0.901 1.00 24.15 H new ATOM 0 HE2 PHE A 90 3.150 3.968 -0.503 1.00 13.45 H new ATOM 0 HZ PHE A 90 2.219 1.704 -0.294 1.00 51.33 H new ATOM 1424 N ASP A 91 8.558 0.297 2.056 1.00 25.12 N ATOM 1425 CA ASP A 91 8.550 -1.163 2.186 1.00 70.12 C ATOM 1426 C ASP A 91 7.313 -1.611 2.983 1.00 40.31 C ATOM 1427 O ASP A 91 7.132 -1.201 4.141 1.00 24.21 O ATOM 1428 CB ASP A 91 9.847 -1.651 2.863 1.00 71.24 C ATOM 1429 CG ASP A 91 11.086 -1.317 2.023 1.00 24.31 C ATOM 1430 OD1 ASP A 91 11.428 -2.087 1.099 1.00 20.03 O ATOM 1431 OD2 ASP A 91 11.708 -0.261 2.259 1.00 74.54 O ATOM 0 H ASP A 91 8.700 0.783 2.941 1.00 25.12 H new ATOM 0 HA ASP A 91 8.502 -1.608 1.192 1.00 70.12 H new ATOM 0 HB2 ASP A 91 9.939 -1.191 3.847 1.00 71.24 H new ATOM 0 HB3 ASP A 91 9.793 -2.728 3.019 1.00 71.24 H new ATOM 1436 N ASP A 92 6.459 -2.427 2.336 1.00 60.41 N ATOM 1437 CA ASP A 92 5.258 -3.001 2.969 1.00 52.40 C ATOM 1438 C ASP A 92 5.689 -4.022 4.039 1.00 23.13 C ATOM 1439 O ASP A 92 5.579 -3.776 5.245 1.00 64.14 O ATOM 1440 CB ASP A 92 4.347 -3.706 1.914 1.00 51.22 C ATOM 1441 CG ASP A 92 4.205 -2.932 0.600 1.00 12.32 C ATOM 1442 OD1 ASP A 92 5.126 -3.036 -0.253 1.00 43.11 O ATOM 1443 OD2 ASP A 92 3.189 -2.227 0.412 1.00 1.13 O ATOM 0 H ASP A 92 6.582 -2.706 1.363 1.00 60.41 H new ATOM 0 HA ASP A 92 4.688 -2.193 3.427 1.00 52.40 H new ATOM 0 HB2 ASP A 92 4.754 -4.694 1.700 1.00 51.22 H new ATOM 0 HB3 ASP A 92 3.357 -3.855 2.345 1.00 51.22 H new ATOM 1448 N GLY A 93 6.230 -5.162 3.551 1.00 45.43 N ATOM 1449 CA GLY A 93 6.642 -6.279 4.402 1.00 5.05 C ATOM 1450 C GLY A 93 5.513 -6.871 5.260 1.00 2.12 C ATOM 1451 O GLY A 93 4.328 -6.582 5.049 1.00 33.32 O ATOM 0 H GLY A 93 6.389 -5.324 2.556 1.00 45.43 H new ATOM 0 HA2 GLY A 93 7.055 -7.067 3.772 1.00 5.05 H new ATOM 0 HA3 GLY A 93 7.444 -5.943 5.059 1.00 5.05 H new ATOM 1455 N PHE A 94 5.892 -7.734 6.210 1.00 71.10 N ATOM 1456 CA PHE A 94 4.981 -8.263 7.254 1.00 33.15 C ATOM 1457 C PHE A 94 5.754 -8.443 8.568 1.00 1.53 C ATOM 1458 O PHE A 94 6.963 -8.679 8.558 1.00 12.41 O ATOM 1459 CB PHE A 94 4.343 -9.619 6.830 1.00 14.43 C ATOM 1460 CG PHE A 94 3.186 -9.507 5.836 1.00 32.31 C ATOM 1461 CD1 PHE A 94 1.905 -9.168 6.276 1.00 61.14 C ATOM 1462 CD2 PHE A 94 3.369 -9.746 4.474 1.00 12.14 C ATOM 1463 CE1 PHE A 94 0.851 -9.068 5.389 1.00 4.41 C ATOM 1464 CE2 PHE A 94 2.312 -9.646 3.588 1.00 30.04 C ATOM 1465 CZ PHE A 94 1.055 -9.310 4.045 1.00 14.21 C ATOM 0 H PHE A 94 6.844 -8.093 6.284 1.00 71.10 H new ATOM 0 HA PHE A 94 4.174 -7.543 7.391 1.00 33.15 H new ATOM 0 HB2 PHE A 94 5.119 -10.247 6.392 1.00 14.43 H new ATOM 0 HB3 PHE A 94 3.986 -10.130 7.724 1.00 14.43 H new ATOM 0 HD1 PHE A 94 1.736 -8.981 7.326 1.00 61.14 H new ATOM 0 HD2 PHE A 94 4.349 -10.013 4.107 1.00 12.14 H new ATOM 0 HE1 PHE A 94 -0.132 -8.801 5.747 1.00 4.41 H new ATOM 0 HE2 PHE A 94 2.471 -9.831 2.536 1.00 30.04 H new ATOM 0 HZ PHE A 94 0.230 -9.236 3.352 1.00 14.21 H new ATOM 1475 N ALA A 95 5.044 -8.315 9.693 1.00 52.21 N ATOM 1476 CA ALA A 95 5.584 -8.589 11.037 1.00 31.13 C ATOM 1477 C ALA A 95 4.754 -9.687 11.722 1.00 51.24 C ATOM 1478 O ALA A 95 3.633 -9.993 11.295 1.00 72.21 O ATOM 1479 CB ALA A 95 5.591 -7.307 11.877 1.00 71.15 C ATOM 0 H ALA A 95 4.069 -8.016 9.701 1.00 52.21 H new ATOM 0 HA ALA A 95 6.612 -8.940 10.944 1.00 31.13 H new ATOM 0 HB1 ALA A 95 5.992 -7.523 12.867 1.00 71.15 H new ATOM 0 HB2 ALA A 95 6.213 -6.556 11.390 1.00 71.15 H new ATOM 0 HB3 ALA A 95 4.573 -6.929 11.972 1.00 71.15 H new ATOM 1485 N ASP A 96 5.321 -10.309 12.755 1.00 73.31 N ATOM 1486 CA ASP A 96 4.602 -11.296 13.586 1.00 71.52 C ATOM 1487 C ASP A 96 4.018 -10.595 14.843 1.00 51.03 C ATOM 1488 O ASP A 96 4.044 -9.363 14.934 1.00 64.34 O ATOM 1489 CB ASP A 96 5.571 -12.445 13.966 1.00 2.25 C ATOM 1490 CG ASP A 96 6.614 -12.028 15.013 1.00 53.55 C ATOM 1491 OD1 ASP A 96 7.442 -11.144 14.732 1.00 74.55 O ATOM 1492 OD2 ASP A 96 6.583 -12.567 16.129 1.00 74.11 O ATOM 0 H ASP A 96 6.286 -10.150 13.045 1.00 73.31 H new ATOM 0 HA ASP A 96 3.769 -11.725 13.029 1.00 71.52 H new ATOM 0 HB2 ASP A 96 4.995 -13.287 14.350 1.00 2.25 H new ATOM 0 HB3 ASP A 96 6.083 -12.792 13.069 1.00 2.25 H new ATOM 1497 N GLU A 97 3.531 -11.386 15.823 1.00 23.13 N ATOM 1498 CA GLU A 97 2.941 -10.857 17.084 1.00 22.44 C ATOM 1499 C GLU A 97 3.927 -9.970 17.898 1.00 14.10 C ATOM 1500 O GLU A 97 3.501 -9.083 18.646 1.00 70.22 O ATOM 1501 CB GLU A 97 2.439 -12.036 17.960 1.00 52.40 C ATOM 1502 CG GLU A 97 3.539 -13.030 18.404 1.00 54.42 C ATOM 1503 CD GLU A 97 2.991 -14.215 19.209 1.00 53.13 C ATOM 1504 OE1 GLU A 97 2.240 -15.033 18.631 1.00 62.44 O ATOM 1505 OE2 GLU A 97 3.308 -14.340 20.411 1.00 31.22 O ATOM 0 H GLU A 97 3.533 -12.405 15.769 1.00 23.13 H new ATOM 0 HA GLU A 97 2.108 -10.214 16.800 1.00 22.44 H new ATOM 0 HB2 GLU A 97 1.956 -11.630 18.849 1.00 52.40 H new ATOM 0 HB3 GLU A 97 1.677 -12.583 17.405 1.00 52.40 H new ATOM 0 HG2 GLU A 97 4.057 -13.406 17.522 1.00 54.42 H new ATOM 0 HG3 GLU A 97 4.277 -12.500 19.006 1.00 54.42 H new ATOM 1512 N HIS A 98 5.244 -10.223 17.736 1.00 41.42 N ATOM 1513 CA HIS A 98 6.316 -9.482 18.448 1.00 21.43 C ATOM 1514 C HIS A 98 6.772 -8.217 17.679 1.00 11.51 C ATOM 1515 O HIS A 98 7.328 -7.290 18.282 1.00 74.32 O ATOM 1516 CB HIS A 98 7.527 -10.417 18.716 1.00 45.31 C ATOM 1517 CG HIS A 98 7.172 -11.668 19.484 1.00 51.42 C ATOM 1518 ND1 HIS A 98 6.696 -11.649 20.775 1.00 51.02 N ATOM 1519 CD2 HIS A 98 7.190 -12.971 19.118 1.00 74.32 C ATOM 1520 CE1 HIS A 98 6.435 -12.881 21.166 1.00 53.52 C ATOM 1521 NE2 HIS A 98 6.729 -13.699 20.182 1.00 60.33 N ATOM 0 H HIS A 98 5.597 -10.946 17.109 1.00 41.42 H new ATOM 0 HA HIS A 98 5.900 -9.146 19.398 1.00 21.43 H new ATOM 0 HB2 HIS A 98 7.973 -10.701 17.763 1.00 45.31 H new ATOM 0 HB3 HIS A 98 8.285 -9.864 19.270 1.00 45.31 H new ATOM 0 HD2 HIS A 98 7.509 -13.364 18.164 1.00 74.32 H new ATOM 0 HE1 HIS A 98 6.046 -13.168 22.132 1.00 53.52 H new ATOM 0 HE2 HIS A 98 6.630 -14.714 20.206 1.00 60.33 H new ATOM 1530 N GLY A 99 6.535 -8.180 16.354 1.00 30.31 N ATOM 1531 CA GLY A 99 6.897 -7.014 15.523 1.00 61.10 C ATOM 1532 C GLY A 99 8.156 -7.204 14.684 1.00 23.32 C ATOM 1533 O GLY A 99 8.619 -6.256 14.036 1.00 53.15 O ATOM 0 H GLY A 99 6.096 -8.941 15.836 1.00 30.31 H new ATOM 0 HA2 GLY A 99 6.064 -6.784 14.859 1.00 61.10 H new ATOM 0 HA3 GLY A 99 7.035 -6.149 16.172 1.00 61.10 H new ATOM 1537 N ALA A 100 8.701 -8.429 14.678 1.00 3.22 N ATOM 1538 CA ALA A 100 9.878 -8.768 13.858 1.00 51.13 C ATOM 1539 C ALA A 100 9.441 -9.068 12.400 1.00 21.02 C ATOM 1540 O ALA A 100 8.430 -9.759 12.199 1.00 41.34 O ATOM 1541 CB ALA A 100 10.612 -9.972 14.471 1.00 75.25 C ATOM 0 H ALA A 100 8.345 -9.206 15.234 1.00 3.22 H new ATOM 0 HA ALA A 100 10.563 -7.920 13.841 1.00 51.13 H new ATOM 0 HB1 ALA A 100 11.481 -10.218 13.861 1.00 75.25 H new ATOM 0 HB2 ALA A 100 10.937 -9.724 15.481 1.00 75.25 H new ATOM 0 HB3 ALA A 100 9.939 -10.829 14.506 1.00 75.25 H new ATOM 1547 N PRO A 101 10.153 -8.510 11.359 1.00 71.42 N ATOM 1548 CA PRO A 101 9.927 -8.884 9.937 1.00 12.21 C ATOM 1549 C PRO A 101 9.904 -10.417 9.711 1.00 65.45 C ATOM 1550 O PRO A 101 10.895 -11.108 9.988 1.00 15.51 O ATOM 1551 CB PRO A 101 11.123 -8.225 9.205 1.00 4.15 C ATOM 1552 CG PRO A 101 11.427 -7.018 10.036 1.00 75.24 C ATOM 1553 CD PRO A 101 11.192 -7.444 11.474 1.00 4.54 C ATOM 0 HA PRO A 101 8.954 -8.550 9.576 1.00 12.21 H new ATOM 0 HB2 PRO A 101 11.978 -8.898 9.149 1.00 4.15 H new ATOM 0 HB3 PRO A 101 10.865 -7.952 8.182 1.00 4.15 H new ATOM 0 HG2 PRO A 101 12.455 -6.689 9.888 1.00 75.24 H new ATOM 0 HG3 PRO A 101 10.782 -6.182 9.764 1.00 75.24 H new ATOM 0 HD2 PRO A 101 12.105 -7.822 11.934 1.00 4.54 H new ATOM 0 HD3 PRO A 101 10.846 -6.612 12.087 1.00 4.54 H new ATOM 1561 N VAL A 102 8.744 -10.931 9.255 1.00 71.54 N ATOM 1562 CA VAL A 102 8.537 -12.370 8.986 1.00 23.42 C ATOM 1563 C VAL A 102 9.534 -12.889 7.926 1.00 41.13 C ATOM 1564 O VAL A 102 9.738 -12.258 6.890 1.00 72.15 O ATOM 1565 CB VAL A 102 7.056 -12.660 8.533 1.00 34.31 C ATOM 1566 CG1 VAL A 102 6.838 -14.158 8.191 1.00 31.24 C ATOM 1567 CG2 VAL A 102 6.050 -12.198 9.612 1.00 35.42 C ATOM 0 H VAL A 102 7.922 -10.359 9.062 1.00 71.54 H new ATOM 0 HA VAL A 102 8.719 -12.904 9.919 1.00 23.42 H new ATOM 0 HB VAL A 102 6.879 -12.086 7.623 1.00 34.31 H new ATOM 0 HG11 VAL A 102 5.804 -14.314 7.883 1.00 31.24 H new ATOM 0 HG12 VAL A 102 7.506 -14.447 7.379 1.00 31.24 H new ATOM 0 HG13 VAL A 102 7.051 -14.767 9.070 1.00 31.24 H new ATOM 0 HG21 VAL A 102 5.034 -12.409 9.277 1.00 35.42 H new ATOM 0 HG22 VAL A 102 6.243 -12.732 10.542 1.00 35.42 H new ATOM 0 HG23 VAL A 102 6.162 -11.127 9.779 1.00 35.42 H new ATOM 1577 N ASP A 103 10.136 -14.049 8.213 1.00 31.43 N ATOM 1578 CA ASP A 103 11.211 -14.638 7.394 1.00 41.50 C ATOM 1579 C ASP A 103 10.646 -15.255 6.085 1.00 60.35 C ATOM 1580 O ASP A 103 11.283 -15.191 5.031 1.00 22.45 O ATOM 1581 CB ASP A 103 11.944 -15.690 8.263 1.00 13.54 C ATOM 1582 CG ASP A 103 13.113 -16.400 7.555 1.00 14.04 C ATOM 1583 OD1 ASP A 103 14.226 -15.836 7.511 1.00 52.42 O ATOM 1584 OD2 ASP A 103 12.919 -17.525 7.047 1.00 73.02 O ATOM 0 H ASP A 103 9.891 -14.613 9.027 1.00 31.43 H new ATOM 0 HA ASP A 103 11.916 -13.868 7.082 1.00 41.50 H new ATOM 0 HB2 ASP A 103 12.322 -15.201 9.161 1.00 13.54 H new ATOM 0 HB3 ASP A 103 11.223 -16.440 8.588 1.00 13.54 H new ATOM 1589 N GLU A 104 9.445 -15.851 6.187 1.00 24.33 N ATOM 1590 CA GLU A 104 8.728 -16.460 5.043 1.00 22.21 C ATOM 1591 C GLU A 104 8.098 -15.388 4.103 1.00 52.20 C ATOM 1592 O GLU A 104 8.297 -15.420 2.881 1.00 54.25 O ATOM 1593 CB GLU A 104 7.638 -17.426 5.587 1.00 71.23 C ATOM 1594 CG GLU A 104 6.737 -18.060 4.509 1.00 43.10 C ATOM 1595 CD GLU A 104 5.726 -19.077 5.067 1.00 64.33 C ATOM 1596 OE1 GLU A 104 4.883 -18.685 5.901 1.00 54.43 O ATOM 1597 OE2 GLU A 104 5.740 -20.258 4.656 1.00 54.00 O ATOM 0 H GLU A 104 8.938 -15.926 7.069 1.00 24.33 H new ATOM 0 HA GLU A 104 9.448 -17.014 4.441 1.00 22.21 H new ATOM 0 HB2 GLU A 104 8.127 -18.224 6.147 1.00 71.23 H new ATOM 0 HB3 GLU A 104 7.009 -16.881 6.291 1.00 71.23 H new ATOM 0 HG2 GLU A 104 6.195 -17.269 3.990 1.00 43.10 H new ATOM 0 HG3 GLU A 104 7.365 -18.555 3.768 1.00 43.10 H new ATOM 1604 N LEU A 105 7.337 -14.448 4.697 1.00 72.30 N ATOM 1605 CA LEU A 105 6.629 -13.368 3.956 1.00 20.24 C ATOM 1606 C LEU A 105 7.607 -12.273 3.458 1.00 10.43 C ATOM 1607 O LEU A 105 7.340 -11.594 2.458 1.00 3.42 O ATOM 1608 CB LEU A 105 5.528 -12.766 4.871 1.00 60.42 C ATOM 1609 CG LEU A 105 4.406 -13.768 5.317 1.00 75.41 C ATOM 1610 CD1 LEU A 105 3.468 -13.163 6.383 1.00 53.44 C ATOM 1611 CD2 LEU A 105 3.606 -14.264 4.102 1.00 1.53 C ATOM 0 H LEU A 105 7.191 -14.410 5.706 1.00 72.30 H new ATOM 0 HA LEU A 105 6.167 -13.796 3.066 1.00 20.24 H new ATOM 0 HB2 LEU A 105 6.003 -12.358 5.763 1.00 60.42 H new ATOM 0 HB3 LEU A 105 5.060 -11.932 4.348 1.00 60.42 H new ATOM 0 HG LEU A 105 4.904 -14.620 5.780 1.00 75.41 H new ATOM 0 HD11 LEU A 105 2.709 -13.896 6.658 1.00 53.44 H new ATOM 0 HD12 LEU A 105 4.047 -12.892 7.266 1.00 53.44 H new ATOM 0 HD13 LEU A 105 2.984 -12.274 5.979 1.00 53.44 H new ATOM 0 HD21 LEU A 105 2.833 -14.958 4.434 1.00 1.53 H new ATOM 0 HD22 LEU A 105 3.141 -13.415 3.601 1.00 1.53 H new ATOM 0 HD23 LEU A 105 4.276 -14.772 3.408 1.00 1.53 H new ATOM 1623 N GLY A 106 8.723 -12.102 4.193 1.00 65.00 N ATOM 1624 CA GLY A 106 9.846 -11.249 3.769 1.00 72.01 C ATOM 1625 C GLY A 106 9.560 -9.738 3.738 1.00 61.24 C ATOM 1626 O GLY A 106 8.566 -9.250 4.296 1.00 21.53 O ATOM 0 H GLY A 106 8.870 -12.552 5.097 1.00 65.00 H new ATOM 0 HA2 GLY A 106 10.687 -11.427 4.439 1.00 72.01 H new ATOM 0 HA3 GLY A 106 10.160 -11.561 2.773 1.00 72.01 H new ATOM 1630 N VAL A 107 10.484 -9.000 3.095 1.00 3.10 N ATOM 1631 CA VAL A 107 10.372 -7.548 2.850 1.00 45.13 C ATOM 1632 C VAL A 107 10.058 -7.303 1.354 1.00 61.35 C ATOM 1633 O VAL A 107 10.669 -7.924 0.475 1.00 64.21 O ATOM 1634 CB VAL A 107 11.708 -6.801 3.236 1.00 23.11 C ATOM 1635 CG1 VAL A 107 11.603 -5.268 2.997 1.00 25.30 C ATOM 1636 CG2 VAL A 107 12.116 -7.105 4.703 1.00 24.04 C ATOM 0 H VAL A 107 11.345 -9.402 2.724 1.00 3.10 H new ATOM 0 HA VAL A 107 9.568 -7.155 3.472 1.00 45.13 H new ATOM 0 HB VAL A 107 12.490 -7.182 2.579 1.00 23.11 H new ATOM 0 HG11 VAL A 107 12.543 -4.791 3.275 1.00 25.30 H new ATOM 0 HG12 VAL A 107 11.397 -5.077 1.944 1.00 25.30 H new ATOM 0 HG13 VAL A 107 10.795 -4.860 3.604 1.00 25.30 H new ATOM 0 HG21 VAL A 107 13.040 -6.577 4.941 1.00 24.04 H new ATOM 0 HG22 VAL A 107 11.325 -6.774 5.377 1.00 24.04 H new ATOM 0 HG23 VAL A 107 12.270 -8.177 4.823 1.00 24.04 H new ATOM 1646 N THR A 108 9.096 -6.412 1.076 1.00 21.22 N ATOM 1647 CA THR A 108 8.748 -5.992 -0.305 1.00 72.50 C ATOM 1648 C THR A 108 8.612 -4.461 -0.385 1.00 54.43 C ATOM 1649 O THR A 108 8.279 -3.828 0.610 1.00 10.25 O ATOM 1650 CB THR A 108 7.442 -6.674 -0.812 1.00 53.01 C ATOM 1651 OG1 THR A 108 7.152 -6.241 -2.152 1.00 32.11 O ATOM 1652 CG2 THR A 108 6.229 -6.407 0.102 1.00 32.55 C ATOM 0 H THR A 108 8.533 -5.958 1.795 1.00 21.22 H new ATOM 0 HA THR A 108 9.562 -6.314 -0.955 1.00 72.50 H new ATOM 0 HB THR A 108 7.619 -7.749 -0.796 1.00 53.01 H new ATOM 0 HG1 THR A 108 6.292 -5.771 -2.165 1.00 32.11 H new ATOM 0 HG21 THR A 108 5.350 -6.908 -0.304 1.00 32.55 H new ATOM 0 HG22 THR A 108 6.435 -6.790 1.102 1.00 32.55 H new ATOM 0 HG23 THR A 108 6.043 -5.334 0.155 1.00 32.55 H new ATOM 1660 N HIS A 109 8.851 -3.879 -1.576 1.00 14.05 N ATOM 1661 CA HIS A 109 8.985 -2.413 -1.744 1.00 33.45 C ATOM 1662 C HIS A 109 7.933 -1.841 -2.730 1.00 61.55 C ATOM 1663 O HIS A 109 8.072 -1.989 -3.945 1.00 11.22 O ATOM 1664 CB HIS A 109 10.420 -2.108 -2.239 1.00 61.52 C ATOM 1665 CG HIS A 109 10.787 -0.648 -2.302 1.00 1.25 C ATOM 1666 ND1 HIS A 109 11.457 -0.008 -1.290 1.00 63.12 N ATOM 1667 CD2 HIS A 109 10.613 0.289 -3.274 1.00 62.44 C ATOM 1668 CE1 HIS A 109 11.687 1.234 -1.637 1.00 65.42 C ATOM 1669 NE2 HIS A 109 11.187 1.444 -2.828 1.00 45.30 N ATOM 0 H HIS A 109 8.956 -4.404 -2.444 1.00 14.05 H new ATOM 0 HA HIS A 109 8.805 -1.930 -0.784 1.00 33.45 H new ATOM 0 HB2 HIS A 109 11.128 -2.615 -1.583 1.00 61.52 H new ATOM 0 HB3 HIS A 109 10.542 -2.539 -3.233 1.00 61.52 H new ATOM 0 HD1 HIS A 109 11.733 -0.433 -0.405 1.00 63.12 H new ATOM 0 HD2 HIS A 109 10.114 0.145 -4.221 1.00 62.44 H new ATOM 0 HE1 HIS A 109 12.206 1.967 -1.037 1.00 65.42 H new ATOM 1678 N ALA A 110 6.912 -1.138 -2.204 1.00 21.34 N ATOM 1679 CA ALA A 110 5.847 -0.533 -3.038 1.00 2.12 C ATOM 1680 C ALA A 110 6.208 0.905 -3.470 1.00 54.24 C ATOM 1681 O ALA A 110 6.710 1.703 -2.671 1.00 0.24 O ATOM 1682 CB ALA A 110 4.506 -0.552 -2.308 1.00 23.11 C ATOM 0 H ALA A 110 6.799 -0.973 -1.204 1.00 21.34 H new ATOM 0 HA ALA A 110 5.759 -1.138 -3.940 1.00 2.12 H new ATOM 0 HB1 ALA A 110 3.741 -0.103 -2.941 1.00 23.11 H new ATOM 0 HB2 ALA A 110 4.230 -1.582 -2.081 1.00 23.11 H new ATOM 0 HB3 ALA A 110 4.589 0.015 -1.381 1.00 23.11 H new ATOM 1688 N THR A 111 5.930 1.227 -4.747 1.00 0.32 N ATOM 1689 CA THR A 111 6.203 2.555 -5.336 1.00 21.14 C ATOM 1690 C THR A 111 4.879 3.205 -5.799 1.00 24.42 C ATOM 1691 O THR A 111 4.310 2.800 -6.809 1.00 71.50 O ATOM 1692 CB THR A 111 7.187 2.423 -6.557 1.00 71.31 C ATOM 1693 OG1 THR A 111 8.385 1.730 -6.146 1.00 5.24 O ATOM 1694 CG2 THR A 111 7.565 3.790 -7.161 1.00 63.14 C ATOM 0 H THR A 111 5.507 0.571 -5.404 1.00 0.32 H new ATOM 0 HA THR A 111 6.669 3.184 -4.578 1.00 21.14 H new ATOM 0 HB THR A 111 6.667 1.856 -7.330 1.00 71.31 H new ATOM 0 HG1 THR A 111 8.994 1.648 -6.909 1.00 5.24 H new ATOM 0 HG21 THR A 111 8.245 3.642 -8.000 1.00 63.14 H new ATOM 0 HG22 THR A 111 6.664 4.295 -7.509 1.00 63.14 H new ATOM 0 HG23 THR A 111 8.053 4.401 -6.402 1.00 63.14 H new ATOM 1702 N VAL A 112 4.410 4.220 -5.055 1.00 4.31 N ATOM 1703 CA VAL A 112 3.153 4.948 -5.345 1.00 53.31 C ATOM 1704 C VAL A 112 3.449 6.200 -6.192 1.00 32.55 C ATOM 1705 O VAL A 112 4.116 7.125 -5.730 1.00 32.25 O ATOM 1706 CB VAL A 112 2.426 5.387 -4.021 1.00 44.54 C ATOM 1707 CG1 VAL A 112 1.070 6.087 -4.317 1.00 31.22 C ATOM 1708 CG2 VAL A 112 2.247 4.185 -3.066 1.00 22.21 C ATOM 0 H VAL A 112 4.894 4.565 -4.226 1.00 4.31 H new ATOM 0 HA VAL A 112 2.500 4.270 -5.895 1.00 53.31 H new ATOM 0 HB VAL A 112 3.061 6.119 -3.521 1.00 44.54 H new ATOM 0 HG11 VAL A 112 0.597 6.376 -3.378 1.00 31.22 H new ATOM 0 HG12 VAL A 112 1.244 6.975 -4.924 1.00 31.22 H new ATOM 0 HG13 VAL A 112 0.417 5.401 -4.856 1.00 31.22 H new ATOM 0 HG21 VAL A 112 1.742 4.514 -2.158 1.00 22.21 H new ATOM 0 HG22 VAL A 112 1.649 3.417 -3.556 1.00 22.21 H new ATOM 0 HG23 VAL A 112 3.224 3.775 -2.810 1.00 22.21 H new ATOM 1718 N LYS A 113 2.966 6.218 -7.439 1.00 33.54 N ATOM 1719 CA LYS A 113 3.170 7.355 -8.357 1.00 52.32 C ATOM 1720 C LYS A 113 1.805 7.925 -8.809 1.00 33.42 C ATOM 1721 O LYS A 113 1.017 7.239 -9.474 1.00 5.41 O ATOM 1722 CB LYS A 113 4.020 6.891 -9.569 1.00 3.34 C ATOM 1723 CG LYS A 113 5.346 6.183 -9.190 1.00 53.24 C ATOM 1724 CD LYS A 113 6.230 5.772 -10.399 1.00 64.02 C ATOM 1725 CE LYS A 113 5.568 4.758 -11.364 1.00 4.11 C ATOM 1726 NZ LYS A 113 4.466 5.342 -12.181 1.00 61.41 N ATOM 0 H LYS A 113 2.426 5.453 -7.843 1.00 33.54 H new ATOM 0 HA LYS A 113 3.708 8.152 -7.844 1.00 52.32 H new ATOM 0 HB2 LYS A 113 3.422 6.213 -10.178 1.00 3.34 H new ATOM 0 HB3 LYS A 113 4.250 7.758 -10.189 1.00 3.34 H new ATOM 0 HG2 LYS A 113 5.923 6.844 -8.543 1.00 53.24 H new ATOM 0 HG3 LYS A 113 5.113 5.291 -8.608 1.00 53.24 H new ATOM 0 HD2 LYS A 113 6.495 6.668 -10.960 1.00 64.02 H new ATOM 0 HD3 LYS A 113 7.160 5.344 -10.024 1.00 64.02 H new ATOM 0 HE2 LYS A 113 6.329 4.355 -12.032 1.00 4.11 H new ATOM 0 HE3 LYS A 113 5.176 3.922 -10.785 1.00 4.11 H new ATOM 0 HZ1 LYS A 113 3.551 4.992 -11.831 1.00 61.41 H new ATOM 0 HZ2 LYS A 113 4.491 6.379 -12.107 1.00 61.41 H new ATOM 0 HZ3 LYS A 113 4.586 5.062 -13.176 1.00 61.41 H new ATOM 1740 N LEU A 114 1.523 9.173 -8.403 1.00 74.10 N ATOM 1741 CA LEU A 114 0.270 9.882 -8.740 1.00 12.11 C ATOM 1742 C LEU A 114 0.440 10.733 -10.015 1.00 51.33 C ATOM 1743 O LEU A 114 1.376 11.533 -10.117 1.00 30.20 O ATOM 1744 CB LEU A 114 -0.148 10.782 -7.550 1.00 41.22 C ATOM 1745 CG LEU A 114 -0.368 10.048 -6.190 1.00 72.10 C ATOM 1746 CD1 LEU A 114 -0.677 11.047 -5.066 1.00 64.44 C ATOM 1747 CD2 LEU A 114 -1.480 8.995 -6.294 1.00 3.42 C ATOM 0 H LEU A 114 2.159 9.725 -7.828 1.00 74.10 H new ATOM 0 HA LEU A 114 -0.508 9.143 -8.931 1.00 12.11 H new ATOM 0 HB2 LEU A 114 0.617 11.546 -7.410 1.00 41.22 H new ATOM 0 HB3 LEU A 114 -1.070 11.299 -7.816 1.00 41.22 H new ATOM 0 HG LEU A 114 0.561 9.533 -5.945 1.00 72.10 H new ATOM 0 HD11 LEU A 114 -0.826 10.508 -4.131 1.00 64.44 H new ATOM 0 HD12 LEU A 114 0.157 11.741 -4.956 1.00 64.44 H new ATOM 0 HD13 LEU A 114 -1.582 11.603 -5.312 1.00 64.44 H new ATOM 0 HD21 LEU A 114 -1.607 8.503 -5.330 1.00 3.42 H new ATOM 0 HD22 LEU A 114 -2.414 9.479 -6.580 1.00 3.42 H new ATOM 0 HD23 LEU A 114 -1.210 8.254 -7.046 1.00 3.42 H new ATOM 1759 N GLU A 115 -0.479 10.561 -10.973 1.00 22.44 N ATOM 1760 CA GLU A 115 -0.468 11.294 -12.256 1.00 60.31 C ATOM 1761 C GLU A 115 -1.588 12.368 -12.284 1.00 33.01 C ATOM 1762 O GLU A 115 -2.769 12.019 -12.191 1.00 11.32 O ATOM 1763 CB GLU A 115 -0.660 10.309 -13.434 1.00 74.43 C ATOM 1764 CG GLU A 115 -0.699 10.979 -14.822 1.00 3.43 C ATOM 1765 CD GLU A 115 -0.801 9.971 -15.978 1.00 14.43 C ATOM 1766 OE1 GLU A 115 -1.921 9.515 -16.293 1.00 44.44 O ATOM 1767 OE2 GLU A 115 0.236 9.646 -16.590 1.00 52.43 O ATOM 0 H GLU A 115 -1.257 9.907 -10.885 1.00 22.44 H new ATOM 0 HA GLU A 115 0.496 11.792 -12.357 1.00 60.31 H new ATOM 0 HB2 GLU A 115 0.150 9.580 -13.418 1.00 74.43 H new ATOM 0 HB3 GLU A 115 -1.588 9.758 -13.284 1.00 74.43 H new ATOM 0 HG2 GLU A 115 -1.549 11.660 -14.866 1.00 3.43 H new ATOM 0 HG3 GLU A 115 0.199 11.582 -14.953 1.00 3.43 H new ATOM 1774 N PRO A 116 -1.238 13.687 -12.412 1.00 12.41 N ATOM 1775 CA PRO A 116 -2.241 14.781 -12.535 1.00 12.41 C ATOM 1776 C PRO A 116 -3.133 14.651 -13.802 1.00 63.53 C ATOM 1777 O PRO A 116 -2.643 14.704 -14.936 1.00 54.11 O ATOM 1778 CB PRO A 116 -1.365 16.068 -12.576 1.00 30.21 C ATOM 1779 CG PRO A 116 -0.009 15.599 -13.010 1.00 25.30 C ATOM 1780 CD PRO A 116 0.153 14.222 -12.414 1.00 44.51 C ATOM 0 HA PRO A 116 -2.958 14.772 -11.714 1.00 12.41 H new ATOM 0 HB2 PRO A 116 -1.772 16.800 -13.274 1.00 30.21 H new ATOM 0 HB3 PRO A 116 -1.323 16.548 -11.598 1.00 30.21 H new ATOM 0 HG2 PRO A 116 0.066 15.567 -14.097 1.00 25.30 H new ATOM 0 HG3 PRO A 116 0.771 16.274 -12.657 1.00 25.30 H new ATOM 0 HD2 PRO A 116 0.822 13.601 -13.010 1.00 44.51 H new ATOM 0 HD3 PRO A 116 0.569 14.265 -11.408 1.00 44.51 H new ATOM 1788 N LEU A 117 -4.441 14.429 -13.592 1.00 51.51 N ATOM 1789 CA LEU A 117 -5.466 14.476 -14.670 1.00 74.12 C ATOM 1790 C LEU A 117 -6.399 15.705 -14.456 1.00 5.24 C ATOM 1791 O LEU A 117 -7.571 15.688 -14.865 1.00 1.42 O ATOM 1792 CB LEU A 117 -6.287 13.150 -14.682 1.00 74.13 C ATOM 1793 CG LEU A 117 -5.473 11.812 -14.712 1.00 21.02 C ATOM 1794 CD1 LEU A 117 -6.410 10.585 -14.640 1.00 32.43 C ATOM 1795 CD2 LEU A 117 -4.549 11.736 -15.945 1.00 4.40 C ATOM 0 H LEU A 117 -4.827 14.211 -12.673 1.00 51.51 H new ATOM 0 HA LEU A 117 -4.972 14.581 -15.636 1.00 74.12 H new ATOM 0 HB2 LEU A 117 -6.926 13.139 -13.799 1.00 74.13 H new ATOM 0 HB3 LEU A 117 -6.945 13.166 -15.551 1.00 74.13 H new ATOM 0 HG LEU A 117 -4.837 11.799 -13.827 1.00 21.02 H new ATOM 0 HD11 LEU A 117 -5.816 9.672 -14.663 1.00 32.43 H new ATOM 0 HD12 LEU A 117 -6.986 10.620 -13.715 1.00 32.43 H new ATOM 0 HD13 LEU A 117 -7.091 10.596 -15.491 1.00 32.43 H new ATOM 0 HD21 LEU A 117 -4.001 10.794 -15.931 1.00 4.40 H new ATOM 0 HD22 LEU A 117 -5.149 11.794 -16.853 1.00 4.40 H new ATOM 0 HD23 LEU A 117 -3.844 12.567 -15.923 1.00 4.40 H new ATOM 1807 N GLU A 118 -5.830 16.769 -13.824 1.00 50.51 N ATOM 1808 CA GLU A 118 -6.537 18.026 -13.454 1.00 54.52 C ATOM 1809 C GLU A 118 -7.675 17.792 -12.433 1.00 73.51 C ATOM 1810 O GLU A 118 -7.495 17.989 -11.225 1.00 22.02 O ATOM 1811 CB GLU A 118 -7.055 18.791 -14.716 1.00 20.33 C ATOM 1812 CG GLU A 118 -5.947 19.334 -15.650 1.00 2.24 C ATOM 1813 CD GLU A 118 -5.072 20.430 -14.999 1.00 53.42 C ATOM 1814 OE1 GLU A 118 -4.108 20.099 -14.269 1.00 71.32 O ATOM 1815 OE2 GLU A 118 -5.357 21.633 -15.196 1.00 31.30 O ATOM 0 H GLU A 118 -4.847 16.776 -13.552 1.00 50.51 H new ATOM 0 HA GLU A 118 -5.798 18.658 -12.961 1.00 54.52 H new ATOM 0 HB2 GLU A 118 -7.698 18.123 -15.289 1.00 20.33 H new ATOM 0 HB3 GLU A 118 -7.675 19.626 -14.388 1.00 20.33 H new ATOM 0 HG2 GLU A 118 -5.308 18.507 -15.961 1.00 2.24 H new ATOM 0 HG3 GLU A 118 -6.408 19.737 -16.552 1.00 2.24 H new ATOM 1822 N ASN A 119 -8.837 17.358 -12.935 1.00 4.15 N ATOM 1823 CA ASN A 119 -10.052 17.134 -12.129 1.00 42.34 C ATOM 1824 C ASN A 119 -10.030 15.727 -11.471 1.00 2.13 C ATOM 1825 O ASN A 119 -10.743 15.464 -10.493 1.00 23.15 O ATOM 1826 CB ASN A 119 -11.271 17.316 -13.072 1.00 2.25 C ATOM 1827 CG ASN A 119 -12.624 17.306 -12.374 1.00 54.14 C ATOM 1828 OD1 ASN A 119 -12.748 17.660 -11.205 1.00 61.41 O ATOM 1829 ND2 ASN A 119 -13.651 16.932 -13.102 1.00 22.42 N ATOM 0 H ASN A 119 -8.966 17.149 -13.925 1.00 4.15 H new ATOM 0 HA ASN A 119 -10.111 17.849 -11.308 1.00 42.34 H new ATOM 0 HB2 ASN A 119 -11.161 18.259 -13.607 1.00 2.25 H new ATOM 0 HB3 ASN A 119 -11.257 16.522 -13.819 1.00 2.25 H new ATOM 0 HD21 ASN A 119 -14.588 16.930 -12.699 1.00 22.42 H new ATOM 0 HD22 ASN A 119 -13.512 16.644 -14.070 1.00 22.42 H new ATOM 1836 N ARG A 120 -9.203 14.824 -12.036 1.00 12.01 N ATOM 1837 CA ARG A 120 -8.983 13.450 -11.516 1.00 43.33 C ATOM 1838 C ARG A 120 -7.465 13.191 -11.307 1.00 75.02 C ATOM 1839 O ARG A 120 -6.640 14.086 -11.536 1.00 54.14 O ATOM 1840 CB ARG A 120 -9.597 12.412 -12.496 1.00 51.01 C ATOM 1841 CG ARG A 120 -11.125 12.564 -12.697 1.00 23.24 C ATOM 1842 CD ARG A 120 -11.711 11.557 -13.703 1.00 65.14 C ATOM 1843 NE ARG A 120 -11.137 11.720 -15.054 1.00 1.13 N ATOM 1844 CZ ARG A 120 -11.727 12.301 -16.079 1.00 33.03 C ATOM 1845 NH1 ARG A 120 -12.901 12.852 -15.967 1.00 41.32 N ATOM 1846 NH2 ARG A 120 -11.118 12.355 -17.219 1.00 20.14 N ATOM 0 H ARG A 120 -8.661 15.026 -12.876 1.00 12.01 H new ATOM 0 HA ARG A 120 -9.478 13.347 -10.550 1.00 43.33 H new ATOM 0 HB2 ARG A 120 -9.103 12.504 -13.463 1.00 51.01 H new ATOM 0 HB3 ARG A 120 -9.388 11.409 -12.125 1.00 51.01 H new ATOM 0 HG2 ARG A 120 -11.625 12.440 -11.736 1.00 23.24 H new ATOM 0 HG3 ARG A 120 -11.340 13.576 -13.040 1.00 23.24 H new ATOM 0 HD2 ARG A 120 -11.524 10.543 -13.350 1.00 65.14 H new ATOM 0 HD3 ARG A 120 -12.793 11.683 -13.752 1.00 65.14 H new ATOM 0 HE ARG A 120 -10.199 11.349 -15.207 1.00 1.13 H new ATOM 0 HH11 ARG A 120 -13.386 12.841 -15.070 1.00 41.32 H new ATOM 0 HH12 ARG A 120 -13.336 13.295 -16.776 1.00 41.32 H new ATOM 0 HH21 ARG A 120 -10.188 11.949 -17.320 1.00 20.14 H new ATOM 0 HH22 ARG A 120 -11.568 12.803 -18.017 1.00 20.14 H new ATOM 1860 N THR A 121 -7.103 11.978 -10.845 1.00 74.54 N ATOM 1861 CA THR A 121 -5.682 11.555 -10.690 1.00 32.50 C ATOM 1862 C THR A 121 -5.550 10.027 -10.899 1.00 33.33 C ATOM 1863 O THR A 121 -6.390 9.254 -10.420 1.00 31.33 O ATOM 1864 CB THR A 121 -5.093 11.967 -9.287 1.00 64.23 C ATOM 1865 OG1 THR A 121 -5.093 13.399 -9.156 1.00 35.12 O ATOM 1866 CG2 THR A 121 -3.657 11.453 -9.059 1.00 22.23 C ATOM 0 H THR A 121 -7.776 11.263 -10.568 1.00 74.54 H new ATOM 0 HA THR A 121 -5.102 12.074 -11.454 1.00 32.50 H new ATOM 0 HB THR A 121 -5.735 11.505 -8.537 1.00 64.23 H new ATOM 0 HG1 THR A 121 -5.987 13.703 -8.893 1.00 35.12 H new ATOM 0 HG21 THR A 121 -3.309 11.770 -8.076 1.00 22.23 H new ATOM 0 HG22 THR A 121 -3.647 10.364 -9.114 1.00 22.23 H new ATOM 0 HG23 THR A 121 -2.998 11.861 -9.826 1.00 22.23 H new ATOM 1874 N ARG A 122 -4.483 9.602 -11.611 1.00 71.34 N ATOM 1875 CA ARG A 122 -4.208 8.186 -11.913 1.00 62.03 C ATOM 1876 C ARG A 122 -3.045 7.665 -11.032 1.00 73.44 C ATOM 1877 O ARG A 122 -1.897 8.077 -11.199 1.00 4.24 O ATOM 1878 CB ARG A 122 -3.863 8.048 -13.421 1.00 23.24 C ATOM 1879 CG ARG A 122 -3.611 6.600 -13.895 1.00 12.23 C ATOM 1880 CD ARG A 122 -3.388 6.503 -15.418 1.00 32.32 C ATOM 1881 NE ARG A 122 -4.546 7.014 -16.186 1.00 43.24 N ATOM 1882 CZ ARG A 122 -4.677 6.978 -17.496 1.00 22.50 C ATOM 1883 NH1 ARG A 122 -3.786 6.427 -18.258 1.00 24.20 N ATOM 1884 NH2 ARG A 122 -5.747 7.461 -18.031 1.00 23.31 N ATOM 0 H ARG A 122 -3.785 10.240 -11.994 1.00 71.34 H new ATOM 0 HA ARG A 122 -5.090 7.585 -11.692 1.00 62.03 H new ATOM 0 HB2 ARG A 122 -4.679 8.471 -14.007 1.00 23.24 H new ATOM 0 HB3 ARG A 122 -2.976 8.645 -13.633 1.00 23.24 H new ATOM 0 HG2 ARG A 122 -2.739 6.199 -13.378 1.00 12.23 H new ATOM 0 HG3 ARG A 122 -4.461 5.977 -13.616 1.00 12.23 H new ATOM 0 HD2 ARG A 122 -2.496 7.068 -15.690 1.00 32.32 H new ATOM 0 HD3 ARG A 122 -3.203 5.464 -15.691 1.00 32.32 H new ATOM 0 HE ARG A 122 -5.310 7.431 -15.654 1.00 43.24 H new ATOM 0 HH11 ARG A 122 -2.954 6.005 -17.846 1.00 24.20 H new ATOM 0 HH12 ARG A 122 -3.917 6.415 -19.270 1.00 24.20 H new ATOM 0 HH21 ARG A 122 -6.476 7.863 -17.441 1.00 23.31 H new ATOM 0 HH22 ARG A 122 -5.864 7.441 -19.044 1.00 23.31 H new ATOM 1898 N MET A 123 -3.350 6.747 -10.109 1.00 52.41 N ATOM 1899 CA MET A 123 -2.359 6.181 -9.167 1.00 20.01 C ATOM 1900 C MET A 123 -1.830 4.831 -9.692 1.00 31.24 C ATOM 1901 O MET A 123 -2.593 4.043 -10.242 1.00 51.40 O ATOM 1902 CB MET A 123 -3.005 5.984 -7.771 1.00 21.02 C ATOM 1903 CG MET A 123 -2.049 5.419 -6.704 1.00 44.44 C ATOM 1904 SD MET A 123 -2.833 5.208 -5.093 1.00 2.05 S ATOM 1905 CE MET A 123 -4.087 3.985 -5.473 1.00 42.11 C ATOM 0 H MET A 123 -4.290 6.370 -9.988 1.00 52.41 H new ATOM 0 HA MET A 123 -1.525 6.877 -9.081 1.00 20.01 H new ATOM 0 HB2 MET A 123 -3.392 6.942 -7.424 1.00 21.02 H new ATOM 0 HB3 MET A 123 -3.858 5.313 -7.870 1.00 21.02 H new ATOM 0 HG2 MET A 123 -1.663 4.457 -7.043 1.00 44.44 H new ATOM 0 HG3 MET A 123 -1.194 6.087 -6.601 1.00 44.44 H new ATOM 0 HE1 MET A 123 -5.076 4.419 -5.323 1.00 42.11 H new ATOM 0 HE2 MET A 123 -3.983 3.668 -6.511 1.00 42.11 H new ATOM 0 HE3 MET A 123 -3.966 3.123 -4.816 1.00 42.11 H new ATOM 1915 N THR A 124 -0.520 4.579 -9.541 1.00 64.34 N ATOM 1916 CA THR A 124 0.083 3.260 -9.855 1.00 53.33 C ATOM 1917 C THR A 124 1.067 2.841 -8.742 1.00 33.14 C ATOM 1918 O THR A 124 2.062 3.531 -8.506 1.00 64.42 O ATOM 1919 CB THR A 124 0.803 3.277 -11.245 1.00 75.43 C ATOM 1920 OG1 THR A 124 -0.115 3.712 -12.266 1.00 31.23 O ATOM 1921 CG2 THR A 124 1.356 1.893 -11.633 1.00 52.33 C ATOM 0 H THR A 124 0.150 5.270 -9.202 1.00 64.34 H new ATOM 0 HA THR A 124 -0.723 2.528 -9.907 1.00 53.33 H new ATOM 0 HB THR A 124 1.642 3.968 -11.162 1.00 75.43 H new ATOM 0 HG1 THR A 124 0.341 3.722 -13.133 1.00 31.23 H new ATOM 0 HG21 THR A 124 1.846 1.956 -12.605 1.00 52.33 H new ATOM 0 HG22 THR A 124 2.077 1.566 -10.884 1.00 52.33 H new ATOM 0 HG23 THR A 124 0.537 1.176 -11.686 1.00 52.33 H new ATOM 1929 N ILE A 125 0.771 1.719 -8.052 1.00 31.21 N ATOM 1930 CA ILE A 125 1.594 1.217 -6.925 1.00 32.41 C ATOM 1931 C ILE A 125 2.287 -0.116 -7.305 1.00 74.10 C ATOM 1932 O ILE A 125 1.612 -1.131 -7.487 1.00 64.32 O ATOM 1933 CB ILE A 125 0.727 0.996 -5.628 1.00 61.32 C ATOM 1934 CG1 ILE A 125 -0.196 2.228 -5.346 1.00 11.23 C ATOM 1935 CG2 ILE A 125 1.647 0.704 -4.412 1.00 51.42 C ATOM 1936 CD1 ILE A 125 -1.132 2.064 -4.154 1.00 20.24 C ATOM 0 H ILE A 125 -0.041 1.136 -8.257 1.00 31.21 H new ATOM 0 HA ILE A 125 2.348 1.976 -6.716 1.00 32.41 H new ATOM 0 HB ILE A 125 0.082 0.133 -5.792 1.00 61.32 H new ATOM 0 HG12 ILE A 125 0.431 3.104 -5.180 1.00 11.23 H new ATOM 0 HG13 ILE A 125 -0.794 2.428 -6.235 1.00 11.23 H new ATOM 0 HG21 ILE A 125 1.036 0.553 -3.522 1.00 51.42 H new ATOM 0 HG22 ILE A 125 2.233 -0.194 -4.607 1.00 51.42 H new ATOM 0 HG23 ILE A 125 2.318 1.548 -4.253 1.00 51.42 H new ATOM 0 HD11 ILE A 125 -1.732 2.966 -4.036 1.00 20.24 H new ATOM 0 HD12 ILE A 125 -1.789 1.211 -4.322 1.00 20.24 H new ATOM 0 HD13 ILE A 125 -0.545 1.898 -3.251 1.00 20.24 H new ATOM 1948 N ILE A 126 3.635 -0.106 -7.410 1.00 20.42 N ATOM 1949 CA ILE A 126 4.426 -1.291 -7.836 1.00 21.45 C ATOM 1950 C ILE A 126 5.224 -1.876 -6.634 1.00 53.04 C ATOM 1951 O ILE A 126 6.196 -1.266 -6.187 1.00 24.43 O ATOM 1952 CB ILE A 126 5.442 -0.958 -9.011 1.00 32.13 C ATOM 1953 CG1 ILE A 126 4.776 -0.145 -10.184 1.00 34.31 C ATOM 1954 CG2 ILE A 126 6.077 -2.265 -9.552 1.00 72.42 C ATOM 1955 CD1 ILE A 126 4.612 1.348 -9.938 1.00 20.55 C ATOM 0 H ILE A 126 4.205 0.715 -7.205 1.00 20.42 H new ATOM 0 HA ILE A 126 3.707 -2.022 -8.206 1.00 21.45 H new ATOM 0 HB ILE A 126 6.219 -0.320 -8.590 1.00 32.13 H new ATOM 0 HG12 ILE A 126 5.375 -0.283 -11.084 1.00 34.31 H new ATOM 0 HG13 ILE A 126 3.794 -0.572 -10.386 1.00 34.31 H new ATOM 0 HG21 ILE A 126 6.772 -2.026 -10.357 1.00 72.42 H new ATOM 0 HG22 ILE A 126 6.613 -2.769 -8.748 1.00 72.42 H new ATOM 0 HG23 ILE A 126 5.293 -2.920 -9.932 1.00 72.42 H new ATOM 0 HD11 ILE A 126 4.144 1.811 -10.807 1.00 20.55 H new ATOM 0 HD12 ILE A 126 3.984 1.505 -9.061 1.00 20.55 H new ATOM 0 HD13 ILE A 126 5.590 1.799 -9.770 1.00 20.55 H new ATOM 1967 N SER A 127 4.813 -3.057 -6.138 1.00 54.33 N ATOM 1968 CA SER A 127 5.440 -3.735 -4.974 1.00 55.22 C ATOM 1969 C SER A 127 6.447 -4.805 -5.458 1.00 63.24 C ATOM 1970 O SER A 127 6.076 -5.744 -6.163 1.00 15.22 O ATOM 1971 CB SER A 127 4.338 -4.363 -4.080 1.00 3.45 C ATOM 1972 OG SER A 127 4.868 -4.892 -2.875 1.00 73.12 O ATOM 0 H SER A 127 4.030 -3.578 -6.533 1.00 54.33 H new ATOM 0 HA SER A 127 5.989 -3.004 -4.380 1.00 55.22 H new ATOM 0 HB2 SER A 127 3.588 -3.608 -3.845 1.00 3.45 H new ATOM 0 HB3 SER A 127 3.831 -5.155 -4.632 1.00 3.45 H new ATOM 0 HG SER A 127 4.905 -4.186 -2.196 1.00 73.12 H new ATOM 1978 N THR A 128 7.731 -4.634 -5.092 1.00 42.01 N ATOM 1979 CA THR A 128 8.851 -5.469 -5.593 1.00 60.05 C ATOM 1980 C THR A 128 9.359 -6.461 -4.513 1.00 22.32 C ATOM 1981 O THR A 128 9.923 -6.064 -3.489 1.00 4.14 O ATOM 1982 CB THR A 128 10.032 -4.571 -6.097 1.00 11.24 C ATOM 1983 OG1 THR A 128 10.487 -3.701 -5.048 1.00 1.14 O ATOM 1984 CG2 THR A 128 9.629 -3.719 -7.317 1.00 13.12 C ATOM 0 H THR A 128 8.027 -3.910 -4.437 1.00 42.01 H new ATOM 0 HA THR A 128 8.467 -6.053 -6.430 1.00 60.05 H new ATOM 0 HB THR A 128 10.835 -5.244 -6.397 1.00 11.24 H new ATOM 0 HG1 THR A 128 10.607 -4.217 -4.224 1.00 1.14 H new ATOM 0 HG21 THR A 128 10.477 -3.112 -7.633 1.00 13.12 H new ATOM 0 HG22 THR A 128 9.327 -4.374 -8.134 1.00 13.12 H new ATOM 0 HG23 THR A 128 8.798 -3.068 -7.047 1.00 13.12 H new ATOM 1992 N PHE A 129 9.144 -7.759 -4.779 1.00 54.04 N ATOM 1993 CA PHE A 129 9.481 -8.881 -3.867 1.00 42.24 C ATOM 1994 C PHE A 129 10.908 -9.414 -4.157 1.00 54.01 C ATOM 1995 O PHE A 129 11.435 -9.224 -5.257 1.00 0.20 O ATOM 1996 CB PHE A 129 8.426 -10.010 -4.051 1.00 63.13 C ATOM 1997 CG PHE A 129 6.984 -9.491 -4.048 1.00 31.15 C ATOM 1998 CD1 PHE A 129 6.305 -9.261 -2.859 1.00 44.34 C ATOM 1999 CD2 PHE A 129 6.324 -9.200 -5.242 1.00 53.51 C ATOM 2000 CE1 PHE A 129 5.013 -8.758 -2.864 1.00 31.32 C ATOM 2001 CE2 PHE A 129 5.034 -8.709 -5.242 1.00 11.22 C ATOM 2002 CZ PHE A 129 4.378 -8.486 -4.054 1.00 43.34 C ATOM 0 H PHE A 129 8.721 -8.073 -5.653 1.00 54.04 H new ATOM 0 HA PHE A 129 9.464 -8.529 -2.835 1.00 42.24 H new ATOM 0 HB2 PHE A 129 8.617 -10.528 -4.991 1.00 63.13 H new ATOM 0 HB3 PHE A 129 8.544 -10.743 -3.253 1.00 63.13 H new ATOM 0 HD1 PHE A 129 6.789 -9.477 -1.918 1.00 44.34 H new ATOM 0 HD2 PHE A 129 6.831 -9.362 -6.182 1.00 53.51 H new ATOM 0 HE1 PHE A 129 4.502 -8.579 -1.929 1.00 31.32 H new ATOM 0 HE2 PHE A 129 4.538 -8.499 -6.178 1.00 11.22 H new ATOM 0 HZ PHE A 129 3.370 -8.099 -4.055 1.00 43.34 H new ATOM 2012 N GLU A 130 11.521 -10.097 -3.175 1.00 3.32 N ATOM 2013 CA GLU A 130 12.919 -10.593 -3.295 1.00 51.51 C ATOM 2014 C GLU A 130 13.022 -11.969 -4.001 1.00 64.21 C ATOM 2015 O GLU A 130 13.965 -12.201 -4.769 1.00 33.32 O ATOM 2016 CB GLU A 130 13.579 -10.644 -1.893 1.00 15.43 C ATOM 2017 CG GLU A 130 13.749 -9.264 -1.213 1.00 72.44 C ATOM 2018 CD GLU A 130 14.680 -8.314 -1.992 1.00 21.23 C ATOM 2019 OE1 GLU A 130 15.919 -8.436 -1.859 1.00 45.53 O ATOM 2020 OE2 GLU A 130 14.182 -7.453 -2.751 1.00 45.41 O ATOM 0 H GLU A 130 11.077 -10.323 -2.285 1.00 3.32 H new ATOM 0 HA GLU A 130 13.456 -9.888 -3.930 1.00 51.51 H new ATOM 0 HB2 GLU A 130 12.978 -11.282 -1.245 1.00 15.43 H new ATOM 0 HB3 GLU A 130 14.559 -11.114 -1.983 1.00 15.43 H new ATOM 0 HG2 GLU A 130 12.770 -8.796 -1.106 1.00 72.44 H new ATOM 0 HG3 GLU A 130 14.146 -9.408 -0.208 1.00 72.44 H new ATOM 2027 N SER A 131 12.063 -12.881 -3.753 1.00 13.43 N ATOM 2028 CA SER A 131 12.104 -14.265 -4.319 1.00 2.14 C ATOM 2029 C SER A 131 10.745 -14.675 -4.934 1.00 10.34 C ATOM 2030 O SER A 131 9.703 -14.109 -4.590 1.00 0.54 O ATOM 2031 CB SER A 131 12.505 -15.270 -3.215 1.00 24.50 C ATOM 2032 OG SER A 131 13.757 -14.933 -2.616 1.00 22.24 O ATOM 0 H SER A 131 11.248 -12.696 -3.168 1.00 13.43 H new ATOM 0 HA SER A 131 12.846 -14.277 -5.117 1.00 2.14 H new ATOM 0 HB2 SER A 131 11.731 -15.295 -2.448 1.00 24.50 H new ATOM 0 HB3 SER A 131 12.564 -16.272 -3.640 1.00 24.50 H new ATOM 0 HG SER A 131 13.975 -15.590 -1.922 1.00 22.24 H new ATOM 2038 N GLU A 132 10.785 -15.659 -5.864 1.00 32.23 N ATOM 2039 CA GLU A 132 9.581 -16.242 -6.512 1.00 12.13 C ATOM 2040 C GLU A 132 8.615 -16.851 -5.479 1.00 75.55 C ATOM 2041 O GLU A 132 7.430 -16.544 -5.487 1.00 33.05 O ATOM 2042 CB GLU A 132 9.976 -17.327 -7.559 1.00 74.22 C ATOM 2043 CG GLU A 132 8.770 -17.994 -8.273 1.00 32.54 C ATOM 2044 CD GLU A 132 9.167 -19.160 -9.198 1.00 32.54 C ATOM 2045 OE1 GLU A 132 9.329 -20.301 -8.701 1.00 41.33 O ATOM 2046 OE2 GLU A 132 9.321 -18.949 -10.421 1.00 44.43 O ATOM 0 H GLU A 132 11.658 -16.074 -6.189 1.00 32.23 H new ATOM 0 HA GLU A 132 9.071 -15.424 -7.021 1.00 12.13 H new ATOM 0 HB2 GLU A 132 10.622 -16.872 -8.310 1.00 74.22 H new ATOM 0 HB3 GLU A 132 10.561 -18.100 -7.061 1.00 74.22 H new ATOM 0 HG2 GLU A 132 8.071 -18.360 -7.521 1.00 32.54 H new ATOM 0 HG3 GLU A 132 8.243 -17.240 -8.858 1.00 32.54 H new ATOM 2053 N GLU A 133 9.147 -17.718 -4.595 1.00 33.33 N ATOM 2054 CA GLU A 133 8.350 -18.381 -3.528 1.00 31.00 C ATOM 2055 C GLU A 133 7.696 -17.357 -2.558 1.00 2.32 C ATOM 2056 O GLU A 133 6.648 -17.636 -1.974 1.00 42.51 O ATOM 2057 CB GLU A 133 9.232 -19.382 -2.744 1.00 74.40 C ATOM 2058 CG GLU A 133 10.442 -18.749 -2.025 1.00 62.43 C ATOM 2059 CD GLU A 133 11.229 -19.759 -1.183 1.00 74.13 C ATOM 2060 OE1 GLU A 133 10.792 -20.072 -0.055 1.00 34.51 O ATOM 2061 OE2 GLU A 133 12.285 -20.252 -1.639 1.00 62.04 O ATOM 0 H GLU A 133 10.133 -17.981 -4.594 1.00 33.33 H new ATOM 0 HA GLU A 133 7.540 -18.922 -4.017 1.00 31.00 H new ATOM 0 HB2 GLU A 133 8.612 -19.890 -2.005 1.00 74.40 H new ATOM 0 HB3 GLU A 133 9.594 -20.144 -3.434 1.00 74.40 H new ATOM 0 HG2 GLU A 133 11.107 -18.304 -2.766 1.00 62.43 H new ATOM 0 HG3 GLU A 133 10.094 -17.940 -1.382 1.00 62.43 H new ATOM 2068 N GLN A 134 8.334 -16.172 -2.401 1.00 72.42 N ATOM 2069 CA GLN A 134 7.791 -15.052 -1.594 1.00 74.53 C ATOM 2070 C GLN A 134 6.600 -14.406 -2.337 1.00 74.42 C ATOM 2071 O GLN A 134 5.527 -14.231 -1.776 1.00 42.21 O ATOM 2072 CB GLN A 134 8.897 -13.986 -1.343 1.00 32.41 C ATOM 2073 CG GLN A 134 8.472 -12.807 -0.433 1.00 31.01 C ATOM 2074 CD GLN A 134 9.473 -11.642 -0.413 1.00 44.30 C ATOM 2075 OE1 GLN A 134 10.664 -11.819 -0.652 1.00 41.42 O ATOM 2076 NE2 GLN A 134 9.004 -10.445 -0.099 1.00 51.51 N ATOM 0 H GLN A 134 9.237 -15.966 -2.829 1.00 72.42 H new ATOM 0 HA GLN A 134 7.451 -15.439 -0.633 1.00 74.53 H new ATOM 0 HB2 GLN A 134 9.761 -14.478 -0.896 1.00 32.41 H new ATOM 0 HB3 GLN A 134 9.220 -13.586 -2.304 1.00 32.41 H new ATOM 0 HG2 GLN A 134 7.503 -12.435 -0.766 1.00 31.01 H new ATOM 0 HG3 GLN A 134 8.339 -13.176 0.584 1.00 31.01 H new ATOM 0 HE21 GLN A 134 8.010 -10.322 0.096 1.00 51.51 H new ATOM 0 HE22 GLN A 134 9.636 -9.646 -0.052 1.00 51.51 H new ATOM 2085 N MET A 135 6.842 -14.082 -3.619 1.00 75.25 N ATOM 2086 CA MET A 135 5.851 -13.513 -4.574 1.00 10.42 C ATOM 2087 C MET A 135 4.565 -14.385 -4.671 1.00 3.00 C ATOM 2088 O MET A 135 3.441 -13.867 -4.700 1.00 33.50 O ATOM 2089 CB MET A 135 6.568 -13.393 -5.948 1.00 1.12 C ATOM 2090 CG MET A 135 5.711 -13.014 -7.158 1.00 62.05 C ATOM 2091 SD MET A 135 4.835 -11.447 -6.946 1.00 44.03 S ATOM 2092 CE MET A 135 4.456 -10.967 -8.631 1.00 32.44 C ATOM 0 H MET A 135 7.761 -14.210 -4.042 1.00 75.25 H new ATOM 0 HA MET A 135 5.511 -12.536 -4.230 1.00 10.42 H new ATOM 0 HB2 MET A 135 7.361 -12.651 -5.851 1.00 1.12 H new ATOM 0 HB3 MET A 135 7.049 -14.347 -6.162 1.00 1.12 H new ATOM 0 HG2 MET A 135 6.347 -12.951 -8.041 1.00 62.05 H new ATOM 0 HG3 MET A 135 4.986 -13.806 -7.344 1.00 62.05 H new ATOM 0 HE1 MET A 135 3.982 -9.986 -8.632 1.00 32.44 H new ATOM 0 HE2 MET A 135 5.376 -10.926 -9.213 1.00 32.44 H new ATOM 0 HE3 MET A 135 3.779 -11.698 -9.074 1.00 32.44 H new ATOM 2102 N GLN A 136 4.768 -15.710 -4.697 1.00 35.14 N ATOM 2103 CA GLN A 136 3.678 -16.710 -4.697 1.00 74.42 C ATOM 2104 C GLN A 136 2.941 -16.716 -3.342 1.00 4.25 C ATOM 2105 O GLN A 136 1.709 -16.686 -3.299 1.00 12.42 O ATOM 2106 CB GLN A 136 4.258 -18.118 -5.001 1.00 3.31 C ATOM 2107 CG GLN A 136 4.891 -18.266 -6.405 1.00 45.10 C ATOM 2108 CD GLN A 136 3.888 -18.116 -7.558 1.00 71.44 C ATOM 2109 OE1 GLN A 136 2.725 -18.486 -7.442 1.00 0.02 O ATOM 2110 NE2 GLN A 136 4.324 -17.561 -8.674 1.00 13.41 N ATOM 0 H GLN A 136 5.699 -16.126 -4.719 1.00 35.14 H new ATOM 0 HA GLN A 136 2.960 -16.444 -5.472 1.00 74.42 H new ATOM 0 HB2 GLN A 136 5.012 -18.355 -4.250 1.00 3.31 H new ATOM 0 HB3 GLN A 136 3.461 -18.855 -4.897 1.00 3.31 H new ATOM 0 HG2 GLN A 136 5.676 -17.519 -6.520 1.00 45.10 H new ATOM 0 HG3 GLN A 136 5.368 -19.243 -6.476 1.00 45.10 H new ATOM 0 HE21 GLN A 136 5.296 -17.261 -8.748 1.00 13.41 H new ATOM 0 HE22 GLN A 136 3.689 -17.433 -9.462 1.00 13.41 H new ATOM 2119 N LYS A 137 3.727 -16.730 -2.241 1.00 51.43 N ATOM 2120 CA LYS A 137 3.205 -16.764 -0.850 1.00 24.23 C ATOM 2121 C LYS A 137 2.288 -15.553 -0.543 1.00 72.12 C ATOM 2122 O LYS A 137 1.311 -15.681 0.200 1.00 44.31 O ATOM 2123 CB LYS A 137 4.384 -16.815 0.161 1.00 61.55 C ATOM 2124 CG LYS A 137 3.962 -16.896 1.644 1.00 40.43 C ATOM 2125 CD LYS A 137 3.251 -18.220 2.012 1.00 3.34 C ATOM 2126 CE LYS A 137 2.677 -18.195 3.441 1.00 33.15 C ATOM 2127 NZ LYS A 137 2.389 -19.553 3.957 1.00 54.32 N ATOM 0 H LYS A 137 4.746 -16.718 -2.290 1.00 51.43 H new ATOM 0 HA LYS A 137 2.600 -17.665 -0.748 1.00 24.23 H new ATOM 0 HB2 LYS A 137 5.007 -17.678 -0.072 1.00 61.55 H new ATOM 0 HB3 LYS A 137 5.002 -15.928 0.022 1.00 61.55 H new ATOM 0 HG2 LYS A 137 4.846 -16.781 2.272 1.00 40.43 H new ATOM 0 HG3 LYS A 137 3.299 -16.061 1.871 1.00 40.43 H new ATOM 0 HD2 LYS A 137 2.445 -18.407 1.302 1.00 3.34 H new ATOM 0 HD3 LYS A 137 3.956 -19.047 1.920 1.00 3.34 H new ATOM 0 HE2 LYS A 137 3.385 -17.699 4.105 1.00 33.15 H new ATOM 0 HE3 LYS A 137 1.762 -17.603 3.452 1.00 33.15 H new ATOM 0 HZ1 LYS A 137 2.005 -19.484 4.921 1.00 54.32 H new ATOM 0 HZ2 LYS A 137 1.693 -20.019 3.340 1.00 54.32 H new ATOM 0 HZ3 LYS A 137 3.266 -20.111 3.973 1.00 54.32 H new ATOM 2141 N MET A 138 2.620 -14.385 -1.124 1.00 3.11 N ATOM 2142 CA MET A 138 1.784 -13.164 -1.027 1.00 2.21 C ATOM 2143 C MET A 138 0.352 -13.444 -1.517 1.00 0.00 C ATOM 2144 O MET A 138 -0.631 -13.171 -0.824 1.00 34.54 O ATOM 2145 CB MET A 138 2.401 -12.023 -1.871 1.00 30.51 C ATOM 2146 CG MET A 138 3.827 -11.603 -1.488 1.00 15.15 C ATOM 2147 SD MET A 138 3.933 -10.617 0.027 1.00 42.14 S ATOM 2148 CE MET A 138 4.013 -11.870 1.298 1.00 23.13 C ATOM 0 H MET A 138 3.470 -14.257 -1.672 1.00 3.11 H new ATOM 0 HA MET A 138 1.748 -12.862 0.020 1.00 2.21 H new ATOM 0 HB2 MET A 138 2.402 -12.330 -2.917 1.00 30.51 H new ATOM 0 HB3 MET A 138 1.753 -11.150 -1.796 1.00 30.51 H new ATOM 0 HG2 MET A 138 4.437 -12.498 -1.368 1.00 15.15 H new ATOM 0 HG3 MET A 138 4.258 -11.032 -2.310 1.00 15.15 H new ATOM 0 HE1 MET A 138 4.826 -11.638 1.987 1.00 23.13 H new ATOM 0 HE2 MET A 138 3.070 -11.895 1.844 1.00 23.13 H new ATOM 0 HE3 MET A 138 4.192 -12.842 0.839 1.00 23.13 H new ATOM 2158 N ALA A 139 0.272 -14.025 -2.718 1.00 21.30 N ATOM 2159 CA ALA A 139 -0.997 -14.380 -3.362 1.00 74.22 C ATOM 2160 C ALA A 139 -1.774 -15.455 -2.544 1.00 41.24 C ATOM 2161 O ALA A 139 -3.005 -15.416 -2.474 1.00 73.44 O ATOM 2162 CB ALA A 139 -0.717 -14.826 -4.809 1.00 73.05 C ATOM 0 H ALA A 139 1.092 -14.264 -3.275 1.00 21.30 H new ATOM 0 HA ALA A 139 -1.647 -13.506 -3.391 1.00 74.22 H new ATOM 0 HB1 ALA A 139 -1.655 -15.092 -5.296 1.00 73.05 H new ATOM 0 HB2 ALA A 139 -0.243 -14.011 -5.356 1.00 73.05 H new ATOM 0 HB3 ALA A 139 -0.054 -15.691 -4.801 1.00 73.05 H new ATOM 2168 N GLU A 140 -1.031 -16.374 -1.884 1.00 52.23 N ATOM 2169 CA GLU A 140 -1.621 -17.419 -1.002 1.00 2.24 C ATOM 2170 C GLU A 140 -2.287 -16.802 0.254 1.00 52.51 C ATOM 2171 O GLU A 140 -3.332 -17.273 0.707 1.00 30.12 O ATOM 2172 CB GLU A 140 -0.539 -18.448 -0.559 1.00 1.54 C ATOM 2173 CG GLU A 140 0.281 -19.087 -1.699 1.00 1.42 C ATOM 2174 CD GLU A 140 -0.579 -19.681 -2.824 1.00 10.34 C ATOM 2175 OE1 GLU A 140 -1.099 -20.806 -2.661 1.00 41.34 O ATOM 2176 OE2 GLU A 140 -0.733 -19.027 -3.882 1.00 65.31 O ATOM 0 H GLU A 140 -0.014 -16.416 -1.944 1.00 52.23 H new ATOM 0 HA GLU A 140 -2.388 -17.928 -1.585 1.00 2.24 H new ATOM 0 HB2 GLU A 140 0.149 -17.952 0.125 1.00 1.54 H new ATOM 0 HB3 GLU A 140 -1.029 -19.244 0.002 1.00 1.54 H new ATOM 0 HG2 GLU A 140 0.946 -18.334 -2.122 1.00 1.42 H new ATOM 0 HG3 GLU A 140 0.912 -19.873 -1.284 1.00 1.42 H new ATOM 2183 N MET A 141 -1.655 -15.748 0.806 1.00 24.34 N ATOM 2184 CA MET A 141 -2.149 -15.027 2.012 1.00 45.13 C ATOM 2185 C MET A 141 -3.347 -14.098 1.692 1.00 50.32 C ATOM 2186 O MET A 141 -4.003 -13.584 2.608 1.00 44.01 O ATOM 2187 CB MET A 141 -0.990 -14.194 2.627 1.00 52.25 C ATOM 2188 CG MET A 141 0.169 -15.035 3.181 1.00 72.22 C ATOM 2189 SD MET A 141 -0.287 -16.001 4.640 1.00 71.43 S ATOM 2190 CE MET A 141 -0.559 -14.715 5.868 1.00 42.12 C ATOM 0 H MET A 141 -0.786 -15.366 0.433 1.00 24.34 H new ATOM 0 HA MET A 141 -2.498 -15.775 2.724 1.00 45.13 H new ATOM 0 HB2 MET A 141 -0.601 -13.518 1.866 1.00 52.25 H new ATOM 0 HB3 MET A 141 -1.390 -13.575 3.430 1.00 52.25 H new ATOM 0 HG2 MET A 141 0.524 -15.710 2.402 1.00 72.22 H new ATOM 0 HG3 MET A 141 0.999 -14.376 3.434 1.00 72.22 H new ATOM 0 HE1 MET A 141 -0.582 -15.161 6.862 1.00 42.12 H new ATOM 0 HE2 MET A 141 0.249 -13.985 5.816 1.00 42.12 H new ATOM 0 HE3 MET A 141 -1.509 -14.219 5.671 1.00 42.12 H new ATOM 2200 N GLY A 142 -3.628 -13.898 0.391 1.00 63.24 N ATOM 2201 CA GLY A 142 -4.644 -12.941 -0.046 1.00 41.32 C ATOM 2202 C GLY A 142 -4.166 -11.489 0.049 1.00 71.42 C ATOM 2203 O GLY A 142 -4.956 -10.585 0.309 1.00 33.22 O ATOM 0 H GLY A 142 -3.162 -14.390 -0.371 1.00 63.24 H new ATOM 0 HA2 GLY A 142 -4.925 -13.160 -1.076 1.00 41.32 H new ATOM 0 HA3 GLY A 142 -5.540 -13.065 0.562 1.00 41.32 H new ATOM 2207 N MET A 143 -2.850 -11.283 -0.148 1.00 1.35 N ATOM 2208 CA MET A 143 -2.217 -9.943 -0.143 1.00 75.03 C ATOM 2209 C MET A 143 -2.544 -9.169 -1.445 1.00 45.12 C ATOM 2210 O MET A 143 -2.630 -7.941 -1.429 1.00 71.45 O ATOM 2211 CB MET A 143 -0.682 -10.091 0.050 1.00 52.54 C ATOM 2212 CG MET A 143 0.110 -8.777 0.116 1.00 44.23 C ATOM 2213 SD MET A 143 -0.469 -7.684 1.435 1.00 11.44 S ATOM 2214 CE MET A 143 0.772 -6.384 1.415 1.00 44.05 C ATOM 0 H MET A 143 -2.190 -12.042 -0.316 1.00 1.35 H new ATOM 0 HA MET A 143 -2.621 -9.365 0.688 1.00 75.03 H new ATOM 0 HB2 MET A 143 -0.502 -10.649 0.969 1.00 52.54 H new ATOM 0 HB3 MET A 143 -0.287 -10.691 -0.770 1.00 52.54 H new ATOM 0 HG2 MET A 143 1.166 -9.000 0.271 1.00 44.23 H new ATOM 0 HG3 MET A 143 0.031 -8.260 -0.840 1.00 44.23 H new ATOM 0 HE1 MET A 143 0.536 -5.644 2.180 1.00 44.05 H new ATOM 0 HE2 MET A 143 1.753 -6.814 1.617 1.00 44.05 H new ATOM 0 HE3 MET A 143 0.781 -5.904 0.436 1.00 44.05 H new ATOM 2224 N GLU A 144 -2.743 -9.908 -2.566 1.00 1.31 N ATOM 2225 CA GLU A 144 -3.140 -9.301 -3.861 1.00 33.32 C ATOM 2226 C GLU A 144 -4.539 -8.646 -3.751 1.00 34.44 C ATOM 2227 O GLU A 144 -4.677 -7.431 -3.918 1.00 21.03 O ATOM 2228 CB GLU A 144 -3.129 -10.361 -5.001 1.00 74.51 C ATOM 2229 CG GLU A 144 -3.661 -9.828 -6.359 1.00 44.51 C ATOM 2230 CD GLU A 144 -3.481 -10.797 -7.536 1.00 40.13 C ATOM 2231 OE1 GLU A 144 -2.343 -11.280 -7.748 1.00 3.41 O ATOM 2232 OE2 GLU A 144 -4.458 -11.061 -8.268 1.00 65.34 O ATOM 0 H GLU A 144 -2.635 -10.922 -2.599 1.00 1.31 H new ATOM 0 HA GLU A 144 -2.411 -8.528 -4.106 1.00 33.32 H new ATOM 0 HB2 GLU A 144 -2.110 -10.723 -5.138 1.00 74.51 H new ATOM 0 HB3 GLU A 144 -3.733 -11.216 -4.695 1.00 74.51 H new ATOM 0 HG2 GLU A 144 -4.721 -9.596 -6.254 1.00 44.51 H new ATOM 0 HG3 GLU A 144 -3.152 -8.893 -6.593 1.00 44.51 H new ATOM 2239 N GLU A 145 -5.560 -9.463 -3.417 1.00 0.32 N ATOM 2240 CA GLU A 145 -6.951 -8.988 -3.237 1.00 40.12 C ATOM 2241 C GLU A 145 -7.129 -8.148 -1.952 1.00 22.45 C ATOM 2242 O GLU A 145 -7.966 -7.264 -1.934 1.00 2.40 O ATOM 2243 CB GLU A 145 -7.961 -10.183 -3.268 1.00 53.00 C ATOM 2244 CG GLU A 145 -8.520 -10.538 -4.665 1.00 21.21 C ATOM 2245 CD GLU A 145 -7.443 -10.861 -5.722 1.00 14.40 C ATOM 2246 OE1 GLU A 145 -6.847 -11.960 -5.655 1.00 1.23 O ATOM 2247 OE2 GLU A 145 -7.213 -10.029 -6.633 1.00 41.20 O ATOM 0 H GLU A 145 -5.446 -10.465 -3.265 1.00 0.32 H new ATOM 0 HA GLU A 145 -7.169 -8.329 -4.078 1.00 40.12 H new ATOM 0 HB2 GLU A 145 -7.469 -11.064 -2.857 1.00 53.00 H new ATOM 0 HB3 GLU A 145 -8.797 -9.948 -2.609 1.00 53.00 H new ATOM 0 HG2 GLU A 145 -9.185 -11.396 -4.569 1.00 21.21 H new ATOM 0 HG3 GLU A 145 -9.124 -9.704 -5.023 1.00 21.21 H new ATOM 2254 N GLY A 146 -6.342 -8.423 -0.898 1.00 20.03 N ATOM 2255 CA GLY A 146 -6.407 -7.636 0.356 1.00 62.01 C ATOM 2256 C GLY A 146 -5.982 -6.172 0.165 1.00 5.01 C ATOM 2257 O GLY A 146 -6.642 -5.244 0.654 1.00 33.50 O ATOM 0 H GLY A 146 -5.656 -9.178 -0.884 1.00 20.03 H new ATOM 0 HA2 GLY A 146 -7.425 -7.666 0.746 1.00 62.01 H new ATOM 0 HA3 GLY A 146 -5.765 -8.101 1.105 1.00 62.01 H new ATOM 2261 N MET A 147 -4.874 -5.986 -0.579 1.00 2.14 N ATOM 2262 CA MET A 147 -4.383 -4.656 -1.010 1.00 23.14 C ATOM 2263 C MET A 147 -5.367 -3.996 -2.016 1.00 13.44 C ATOM 2264 O MET A 147 -5.615 -2.793 -1.967 1.00 70.35 O ATOM 2265 CB MET A 147 -2.983 -4.823 -1.661 1.00 2.21 C ATOM 2266 CG MET A 147 -2.306 -3.527 -2.103 1.00 11.14 C ATOM 2267 SD MET A 147 -0.735 -3.826 -2.941 1.00 35.51 S ATOM 2268 CE MET A 147 -0.238 -2.157 -3.343 1.00 65.13 C ATOM 0 H MET A 147 -4.289 -6.757 -0.901 1.00 2.14 H new ATOM 0 HA MET A 147 -4.312 -4.004 -0.139 1.00 23.14 H new ATOM 0 HB2 MET A 147 -2.330 -5.330 -0.951 1.00 2.21 H new ATOM 0 HB3 MET A 147 -3.080 -5.476 -2.528 1.00 2.21 H new ATOM 0 HG2 MET A 147 -2.973 -2.981 -2.770 1.00 11.14 H new ATOM 0 HG3 MET A 147 -2.136 -2.893 -1.233 1.00 11.14 H new ATOM 0 HE1 MET A 147 0.743 -2.174 -3.818 1.00 65.13 H new ATOM 0 HE2 MET A 147 -0.964 -1.716 -4.026 1.00 65.13 H new ATOM 0 HE3 MET A 147 -0.189 -1.562 -2.431 1.00 65.13 H new ATOM 2278 N ARG A 148 -5.925 -4.826 -2.902 1.00 33.42 N ATOM 2279 CA ARG A 148 -6.864 -4.407 -3.969 1.00 5.21 C ATOM 2280 C ARG A 148 -8.212 -3.898 -3.380 1.00 43.22 C ATOM 2281 O ARG A 148 -8.792 -2.943 -3.887 1.00 52.30 O ATOM 2282 CB ARG A 148 -7.067 -5.622 -4.908 1.00 73.22 C ATOM 2283 CG ARG A 148 -7.803 -5.372 -6.241 1.00 35.44 C ATOM 2284 CD ARG A 148 -7.760 -6.639 -7.124 1.00 44.53 C ATOM 2285 NE ARG A 148 -8.467 -6.496 -8.404 1.00 41.41 N ATOM 2286 CZ ARG A 148 -8.542 -7.441 -9.321 1.00 52.43 C ATOM 2287 NH1 ARG A 148 -7.962 -8.600 -9.155 1.00 52.35 N ATOM 2288 NH2 ARG A 148 -9.209 -7.220 -10.399 1.00 64.31 N ATOM 0 H ARG A 148 -5.739 -5.829 -2.905 1.00 33.42 H new ATOM 0 HA ARG A 148 -6.452 -3.567 -4.528 1.00 5.21 H new ATOM 0 HB2 ARG A 148 -6.086 -6.038 -5.137 1.00 73.22 H new ATOM 0 HB3 ARG A 148 -7.617 -6.385 -4.357 1.00 73.22 H new ATOM 0 HG2 ARG A 148 -8.838 -5.092 -6.046 1.00 35.44 H new ATOM 0 HG3 ARG A 148 -7.341 -4.537 -6.768 1.00 35.44 H new ATOM 0 HD2 ARG A 148 -6.720 -6.897 -7.322 1.00 44.53 H new ATOM 0 HD3 ARG A 148 -8.195 -7.471 -6.570 1.00 44.53 H new ATOM 0 HE ARG A 148 -8.930 -5.608 -8.596 1.00 41.41 H new ATOM 0 HH11 ARG A 148 -7.437 -8.790 -8.301 1.00 52.35 H new ATOM 0 HH12 ARG A 148 -8.034 -9.315 -9.879 1.00 52.35 H new ATOM 0 HH21 ARG A 148 -9.672 -6.322 -10.537 1.00 64.31 H new ATOM 0 HH22 ARG A 148 -9.274 -7.943 -11.116 1.00 64.31 H new ATOM 2302 N GLU A 149 -8.674 -4.543 -2.281 1.00 60.42 N ATOM 2303 CA GLU A 149 -9.876 -4.118 -1.507 1.00 54.01 C ATOM 2304 C GLU A 149 -9.621 -2.772 -0.804 1.00 62.44 C ATOM 2305 O GLU A 149 -10.507 -1.914 -0.740 1.00 21.34 O ATOM 2306 CB GLU A 149 -10.250 -5.192 -0.443 1.00 43.40 C ATOM 2307 CG GLU A 149 -10.811 -6.506 -1.008 1.00 33.33 C ATOM 2308 CD GLU A 149 -11.015 -7.574 0.081 1.00 44.35 C ATOM 2309 OE1 GLU A 149 -10.055 -8.324 0.383 1.00 60.12 O ATOM 2310 OE2 GLU A 149 -12.124 -7.663 0.653 1.00 34.03 O ATOM 0 H GLU A 149 -8.225 -5.376 -1.902 1.00 60.42 H new ATOM 0 HA GLU A 149 -10.702 -4.005 -2.209 1.00 54.01 H new ATOM 0 HB2 GLU A 149 -9.363 -5.419 0.148 1.00 43.40 H new ATOM 0 HB3 GLU A 149 -10.986 -4.765 0.238 1.00 43.40 H new ATOM 0 HG2 GLU A 149 -11.762 -6.309 -1.502 1.00 33.33 H new ATOM 0 HG3 GLU A 149 -10.131 -6.891 -1.768 1.00 33.33 H new ATOM 2317 N ALA A 150 -8.388 -2.621 -0.276 1.00 41.41 N ATOM 2318 CA ALA A 150 -7.916 -1.365 0.349 1.00 73.12 C ATOM 2319 C ALA A 150 -7.935 -0.195 -0.667 1.00 11.33 C ATOM 2320 O ALA A 150 -8.327 0.924 -0.337 1.00 61.03 O ATOM 2321 CB ALA A 150 -6.500 -1.568 0.928 1.00 42.40 C ATOM 0 H ALA A 150 -7.691 -3.366 -0.270 1.00 41.41 H new ATOM 0 HA ALA A 150 -8.594 -1.105 1.162 1.00 73.12 H new ATOM 0 HB1 ALA A 150 -6.158 -0.640 1.387 1.00 42.40 H new ATOM 0 HB2 ALA A 150 -6.524 -2.357 1.680 1.00 42.40 H new ATOM 0 HB3 ALA A 150 -5.817 -1.850 0.127 1.00 42.40 H new ATOM 2327 N ILE A 151 -7.529 -0.487 -1.916 1.00 62.52 N ATOM 2328 CA ILE A 151 -7.496 0.507 -3.017 1.00 72.21 C ATOM 2329 C ILE A 151 -8.918 0.784 -3.591 1.00 42.23 C ATOM 2330 O ILE A 151 -9.198 1.883 -4.086 1.00 1.45 O ATOM 2331 CB ILE A 151 -6.458 0.063 -4.121 1.00 51.12 C ATOM 2332 CG1 ILE A 151 -5.026 -0.026 -3.482 1.00 61.22 C ATOM 2333 CG2 ILE A 151 -6.456 1.015 -5.346 1.00 0.02 C ATOM 2334 CD1 ILE A 151 -3.921 -0.503 -4.411 1.00 54.21 C ATOM 0 H ILE A 151 -7.214 -1.416 -2.196 1.00 62.52 H new ATOM 0 HA ILE A 151 -7.154 1.461 -2.616 1.00 72.21 H new ATOM 0 HB ILE A 151 -6.757 -0.918 -4.491 1.00 51.12 H new ATOM 0 HG12 ILE A 151 -4.756 0.959 -3.101 1.00 61.22 H new ATOM 0 HG13 ILE A 151 -5.071 -0.698 -2.625 1.00 61.22 H new ATOM 0 HG21 ILE A 151 -5.726 0.667 -6.076 1.00 0.02 H new ATOM 0 HG22 ILE A 151 -7.447 1.026 -5.800 1.00 0.02 H new ATOM 0 HG23 ILE A 151 -6.194 2.023 -5.023 1.00 0.02 H new ATOM 0 HD11 ILE A 151 -2.975 -0.527 -3.869 1.00 54.21 H new ATOM 0 HD12 ILE A 151 -4.157 -1.503 -4.774 1.00 54.21 H new ATOM 0 HD13 ILE A 151 -3.837 0.179 -5.257 1.00 54.21 H new ATOM 2346 N GLU A 152 -9.830 -0.196 -3.479 1.00 2.22 N ATOM 2347 CA GLU A 152 -11.275 0.026 -3.760 1.00 60.05 C ATOM 2348 C GLU A 152 -11.975 0.761 -2.599 1.00 42.30 C ATOM 2349 O GLU A 152 -13.084 1.280 -2.761 1.00 3.51 O ATOM 2350 CB GLU A 152 -11.988 -1.316 -4.088 1.00 15.51 C ATOM 2351 CG GLU A 152 -11.528 -1.970 -5.412 1.00 72.40 C ATOM 2352 CD GLU A 152 -11.737 -1.057 -6.638 1.00 24.13 C ATOM 2353 OE1 GLU A 152 -10.897 -0.160 -6.878 1.00 53.21 O ATOM 2354 OE2 GLU A 152 -12.757 -1.200 -7.352 1.00 33.51 O ATOM 0 H GLU A 152 -9.602 -1.150 -3.197 1.00 2.22 H new ATOM 0 HA GLU A 152 -11.345 0.669 -4.637 1.00 60.05 H new ATOM 0 HB2 GLU A 152 -11.815 -2.016 -3.271 1.00 15.51 H new ATOM 0 HB3 GLU A 152 -13.063 -1.141 -4.136 1.00 15.51 H new ATOM 0 HG2 GLU A 152 -10.472 -2.230 -5.335 1.00 72.40 H new ATOM 0 HG3 GLU A 152 -12.076 -2.901 -5.561 1.00 72.40 H new ATOM 2361 N GLN A 153 -11.309 0.802 -1.431 1.00 42.31 N ATOM 2362 CA GLN A 153 -11.776 1.563 -0.262 1.00 5.43 C ATOM 2363 C GLN A 153 -11.133 2.982 -0.250 1.00 42.24 C ATOM 2364 O GLN A 153 -11.573 3.853 0.500 1.00 72.24 O ATOM 2365 CB GLN A 153 -11.490 0.758 1.041 1.00 51.41 C ATOM 2366 CG GLN A 153 -12.336 1.187 2.264 1.00 4.53 C ATOM 2367 CD GLN A 153 -12.371 0.126 3.372 1.00 34.23 C ATOM 2368 OE1 GLN A 153 -13.222 -0.753 3.371 1.00 3.01 O ATOM 2369 NE2 GLN A 153 -11.482 0.217 4.329 1.00 54.10 N ATOM 0 H GLN A 153 -10.431 0.307 -1.273 1.00 42.31 H new ATOM 0 HA GLN A 153 -12.855 1.708 -0.320 1.00 5.43 H new ATOM 0 HB2 GLN A 153 -11.669 -0.299 0.845 1.00 51.41 H new ATOM 0 HB3 GLN A 153 -10.434 0.862 1.292 1.00 51.41 H new ATOM 0 HG2 GLN A 153 -11.933 2.115 2.670 1.00 4.53 H new ATOM 0 HG3 GLN A 153 -13.355 1.398 1.938 1.00 4.53 H new ATOM 0 HE21 GLN A 153 -10.783 0.959 4.307 1.00 54.10 H new ATOM 0 HE22 GLN A 153 -11.489 -0.454 5.097 1.00 54.10 H new ATOM 2378 N ILE A 154 -10.091 3.200 -1.107 1.00 50.11 N ATOM 2379 CA ILE A 154 -9.566 4.561 -1.436 1.00 31.35 C ATOM 2380 C ILE A 154 -10.646 5.400 -2.152 1.00 53.42 C ATOM 2381 O ILE A 154 -10.730 6.626 -1.964 1.00 60.13 O ATOM 2382 CB ILE A 154 -8.263 4.510 -2.324 1.00 60.33 C ATOM 2383 CG1 ILE A 154 -7.093 3.864 -1.532 1.00 22.53 C ATOM 2384 CG2 ILE A 154 -7.855 5.913 -2.850 1.00 14.41 C ATOM 2385 CD1 ILE A 154 -5.792 3.731 -2.304 1.00 22.34 C ATOM 0 H ILE A 154 -9.597 2.446 -1.584 1.00 50.11 H new ATOM 0 HA ILE A 154 -9.302 5.030 -0.488 1.00 31.35 H new ATOM 0 HB ILE A 154 -8.488 3.893 -3.194 1.00 60.33 H new ATOM 0 HG12 ILE A 154 -6.908 4.458 -0.637 1.00 22.53 H new ATOM 0 HG13 ILE A 154 -7.403 2.874 -1.198 1.00 22.53 H new ATOM 0 HG21 ILE A 154 -6.953 5.826 -3.456 1.00 14.41 H new ATOM 0 HG22 ILE A 154 -8.662 6.323 -3.457 1.00 14.41 H new ATOM 0 HG23 ILE A 154 -7.663 6.576 -2.006 1.00 14.41 H new ATOM 0 HD11 ILE A 154 -5.037 3.270 -1.668 1.00 22.34 H new ATOM 0 HD12 ILE A 154 -5.953 3.109 -3.185 1.00 22.34 H new ATOM 0 HD13 ILE A 154 -5.451 4.718 -2.615 1.00 22.34 H new ATOM 2397 N ASP A 155 -11.473 4.723 -2.970 1.00 44.31 N ATOM 2398 CA ASP A 155 -12.661 5.333 -3.587 1.00 74.52 C ATOM 2399 C ASP A 155 -13.595 5.918 -2.495 1.00 71.43 C ATOM 2400 O ASP A 155 -14.108 7.011 -2.635 1.00 53.04 O ATOM 2401 CB ASP A 155 -13.390 4.277 -4.452 1.00 3.15 C ATOM 2402 CG ASP A 155 -14.639 4.831 -5.158 1.00 4.02 C ATOM 2403 OD1 ASP A 155 -14.487 5.592 -6.141 1.00 14.25 O ATOM 2404 OD2 ASP A 155 -15.777 4.515 -4.734 1.00 0.54 O ATOM 0 H ASP A 155 -11.336 3.744 -3.220 1.00 44.31 H new ATOM 0 HA ASP A 155 -12.357 6.157 -4.233 1.00 74.52 H new ATOM 0 HB2 ASP A 155 -12.699 3.890 -5.201 1.00 3.15 H new ATOM 0 HB3 ASP A 155 -13.680 3.437 -3.821 1.00 3.15 H new ATOM 2409 N ALA A 156 -13.756 5.191 -1.384 1.00 14.44 N ATOM 2410 CA ALA A 156 -14.529 5.663 -0.210 1.00 24.54 C ATOM 2411 C ALA A 156 -13.842 6.845 0.528 1.00 2.42 C ATOM 2412 O ALA A 156 -14.504 7.603 1.237 1.00 52.44 O ATOM 2413 CB ALA A 156 -14.801 4.506 0.758 1.00 22.14 C ATOM 0 H ALA A 156 -13.358 4.259 -1.265 1.00 14.44 H new ATOM 0 HA ALA A 156 -15.478 6.040 -0.590 1.00 24.54 H new ATOM 0 HB1 ALA A 156 -15.369 4.873 1.613 1.00 22.14 H new ATOM 0 HB2 ALA A 156 -15.373 3.731 0.247 1.00 22.14 H new ATOM 0 HB3 ALA A 156 -13.854 4.090 1.103 1.00 22.14 H new ATOM 2419 N VAL A 157 -12.505 6.943 0.439 1.00 51.41 N ATOM 2420 CA VAL A 157 -11.735 8.039 1.090 1.00 43.14 C ATOM 2421 C VAL A 157 -11.882 9.378 0.322 1.00 13.04 C ATOM 2422 O VAL A 157 -11.905 10.458 0.923 1.00 22.53 O ATOM 2423 CB VAL A 157 -10.201 7.703 1.220 1.00 42.00 C ATOM 2424 CG1 VAL A 157 -9.465 8.733 2.117 1.00 33.14 C ATOM 2425 CG2 VAL A 157 -9.978 6.275 1.744 1.00 22.41 C ATOM 0 H VAL A 157 -11.926 6.280 -0.076 1.00 51.41 H new ATOM 0 HA VAL A 157 -12.160 8.140 2.089 1.00 43.14 H new ATOM 0 HB VAL A 157 -9.777 7.765 0.218 1.00 42.00 H new ATOM 0 HG11 VAL A 157 -8.410 8.469 2.183 1.00 33.14 H new ATOM 0 HG12 VAL A 157 -9.563 9.728 1.684 1.00 33.14 H new ATOM 0 HG13 VAL A 157 -9.904 8.726 3.115 1.00 33.14 H new ATOM 0 HG21 VAL A 157 -8.909 6.078 1.821 1.00 22.41 H new ATOM 0 HG22 VAL A 157 -10.437 6.172 2.727 1.00 22.41 H new ATOM 0 HG23 VAL A 157 -10.430 5.560 1.056 1.00 22.41 H new ATOM 2435 N LEU A 158 -11.939 9.290 -1.015 1.00 43.03 N ATOM 2436 CA LEU A 158 -11.951 10.475 -1.910 1.00 72.45 C ATOM 2437 C LEU A 158 -13.385 10.859 -2.354 1.00 74.23 C ATOM 2438 O LEU A 158 -13.743 12.042 -2.358 1.00 52.41 O ATOM 2439 CB LEU A 158 -11.032 10.189 -3.127 1.00 24.32 C ATOM 2440 CG LEU A 158 -9.586 9.707 -2.759 1.00 22.01 C ATOM 2441 CD1 LEU A 158 -8.741 9.424 -4.004 1.00 41.41 C ATOM 2442 CD2 LEU A 158 -8.874 10.700 -1.815 1.00 32.14 C ATOM 0 H LEU A 158 -11.978 8.401 -1.513 1.00 43.03 H new ATOM 0 HA LEU A 158 -11.570 11.336 -1.361 1.00 72.45 H new ATOM 0 HB2 LEU A 158 -11.505 9.431 -3.751 1.00 24.32 H new ATOM 0 HB3 LEU A 158 -10.956 11.095 -3.728 1.00 24.32 H new ATOM 0 HG LEU A 158 -9.698 8.765 -2.222 1.00 22.01 H new ATOM 0 HD11 LEU A 158 -7.747 9.093 -3.702 1.00 41.41 H new ATOM 0 HD12 LEU A 158 -9.218 8.645 -4.598 1.00 41.41 H new ATOM 0 HD13 LEU A 158 -8.655 10.333 -4.600 1.00 41.41 H new ATOM 0 HD21 LEU A 158 -7.875 10.330 -1.584 1.00 32.14 H new ATOM 0 HD22 LEU A 158 -8.797 11.673 -2.301 1.00 32.14 H new ATOM 0 HD23 LEU A 158 -9.446 10.800 -0.893 1.00 32.14 H new ATOM 2454 N SER A 159 -14.191 9.853 -2.734 1.00 3.33 N ATOM 2455 CA SER A 159 -15.618 10.047 -3.119 1.00 23.40 C ATOM 2456 C SER A 159 -16.466 10.278 -1.857 1.00 15.12 C ATOM 2457 O SER A 159 -17.229 11.250 -1.765 1.00 63.12 O ATOM 2458 CB SER A 159 -16.173 8.805 -3.868 1.00 5.02 C ATOM 2459 OG SER A 159 -17.433 9.073 -4.471 1.00 22.25 O ATOM 0 H SER A 159 -13.882 8.882 -2.786 1.00 3.33 H new ATOM 0 HA SER A 159 -15.672 10.912 -3.781 1.00 23.40 H new ATOM 0 HB2 SER A 159 -15.462 8.494 -4.634 1.00 5.02 H new ATOM 0 HB3 SER A 159 -16.273 7.974 -3.170 1.00 5.02 H new ATOM 0 HG SER A 159 -17.751 8.270 -4.935 1.00 22.25 H new