USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 669 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 110 THR OG1 : rot 180:sc= 0.567 USER MOD Set 1.2: A 113 GLN : amide:sc= -0.0267 X(o=0.54,f=0.8) USER MOD Single : A 38 THR OG1 : rot 84:sc= 0.951 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0116 K(o=-0.012,f=-2.2!) USER MOD Single : A 55 SER OG : rot 142:sc= 0.87 USER MOD Single : A 58 HIS : no HD1:sc=-0.00539 X(o=-0.0054,f=-0.21) USER MOD Single : A 64 SER OG : rot 160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-4.2!) USER MOD Single : A 74 SER OG : rot 83:sc= 1.67 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.284 USER MOD Single : A 84 GLN : amide:sc= 0.696 K(o=0.7,f=-5.9!) USER MOD Single : A 86 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.38) USER MOD Single : A 90 HIS : no HE2:sc= -0.635 K(o=-0.64,f=-3.9!) USER MOD Single : A 102 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.32) USER MOD Single : A 118 SER OG : rot 14:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -2.153 11.752 7.668 1.00 1.79 N ATOM 2 CA PRO A 31 -1.438 11.525 6.415 1.00 1.75 C ATOM 3 C PRO A 31 -1.787 10.180 5.768 1.00 1.53 C ATOM 4 O PRO A 31 -2.260 9.256 6.436 1.00 1.43 O ATOM 5 CB PRO A 31 0.047 11.603 6.773 1.00 1.78 C ATOM 6 CG PRO A 31 0.067 12.491 8.013 1.00 2.10 C ATOM 7 CD PRO A 31 -1.196 12.030 8.731 1.00 1.79 C ATOM 0 HA PRO A 31 -1.720 12.270 5.671 1.00 1.75 H new ATOM 0 HB2 PRO A 31 0.463 10.617 6.979 1.00 1.78 H new ATOM 0 HB3 PRO A 31 0.634 12.033 5.961 1.00 1.78 H new ATOM 0 HG2 PRO A 31 0.962 12.336 8.615 1.00 2.10 H new ATOM 0 HG3 PRO A 31 0.033 13.551 7.760 1.00 2.10 H new ATOM 0 HD2 PRO A 31 -1.006 11.142 9.333 1.00 1.79 H new ATOM 0 HD3 PRO A 31 -1.569 12.799 9.407 1.00 1.79 H new ATOM 15 N VAL A 32 -1.515 10.055 4.468 1.00 1.51 N ATOM 16 CA VAL A 32 -1.996 8.950 3.611 1.00 1.50 C ATOM 17 C VAL A 32 -1.554 7.547 4.050 1.00 1.31 C ATOM 18 O VAL A 32 -2.220 6.547 3.787 1.00 1.29 O ATOM 19 CB VAL A 32 -1.560 9.230 2.157 1.00 1.59 C ATOM 20 CG1 VAL A 32 -0.037 9.247 1.951 1.00 2.94 C ATOM 21 CG2 VAL A 32 -2.137 8.187 1.209 1.00 2.60 C ATOM 0 H VAL A 32 -0.942 10.730 3.962 1.00 1.51 H new ATOM 0 HA VAL A 32 -3.082 8.932 3.704 1.00 1.50 H new ATOM 0 HB VAL A 32 -1.944 10.227 1.941 1.00 1.59 H new ATOM 0 HG11 VAL A 32 0.186 9.450 0.904 1.00 2.94 H new ATOM 0 HG12 VAL A 32 0.406 10.024 2.574 1.00 2.94 H new ATOM 0 HG13 VAL A 32 0.379 8.279 2.229 1.00 2.94 H new ATOM 0 HG21 VAL A 32 -1.817 8.405 0.190 1.00 2.60 H new ATOM 0 HG22 VAL A 32 -1.783 7.197 1.497 1.00 2.60 H new ATOM 0 HG23 VAL A 32 -3.226 8.212 1.260 1.00 2.60 H new ATOM 31 N GLU A 33 -0.437 7.477 4.754 1.00 1.19 N ATOM 32 CA GLU A 33 0.212 6.241 5.207 1.00 1.03 C ATOM 33 C GLU A 33 -0.437 5.711 6.481 1.00 0.91 C ATOM 34 O GLU A 33 -0.926 4.588 6.544 1.00 0.92 O ATOM 35 CB GLU A 33 1.730 6.441 5.396 1.00 1.01 C ATOM 36 CG GLU A 33 2.261 7.868 5.495 1.00 1.81 C ATOM 37 CD GLU A 33 3.771 7.892 5.774 1.00 1.71 C ATOM 38 OE1 GLU A 33 4.152 7.929 6.973 1.00 1.72 O ATOM 39 OE2 GLU A 33 4.589 7.868 4.827 1.00 3.06 O ATOM 0 H GLU A 33 0.071 8.313 5.042 1.00 1.19 H new ATOM 0 HA GLU A 33 0.073 5.492 4.428 1.00 1.03 H new ATOM 0 HB2 GLU A 33 2.026 5.912 6.302 1.00 1.01 H new ATOM 0 HB3 GLU A 33 2.237 5.954 4.563 1.00 1.01 H new ATOM 0 HG2 GLU A 33 2.054 8.399 4.566 1.00 1.81 H new ATOM 0 HG3 GLU A 33 1.735 8.398 6.289 1.00 1.81 H new ATOM 46 N ALA A 34 -0.529 6.581 7.472 1.00 0.86 N ATOM 47 CA ALA A 34 -1.342 6.369 8.666 1.00 0.79 C ATOM 48 C ALA A 34 -2.809 6.000 8.312 1.00 0.86 C ATOM 49 O ALA A 34 -3.420 5.088 8.900 1.00 0.80 O ATOM 50 CB ALA A 34 -1.239 7.670 9.468 1.00 0.99 C ATOM 0 H ALA A 34 -0.033 7.472 7.473 1.00 0.86 H new ATOM 0 HA ALA A 34 -0.984 5.522 9.250 1.00 0.79 H new ATOM 0 HB1 ALA A 34 -1.828 7.582 10.381 1.00 0.99 H new ATOM 0 HB2 ALA A 34 -0.196 7.858 9.725 1.00 0.99 H new ATOM 0 HB3 ALA A 34 -1.620 8.498 8.869 1.00 0.99 H new ATOM 56 N ALA A 35 -3.350 6.669 7.283 1.00 1.03 N ATOM 57 CA ALA A 35 -4.658 6.369 6.725 1.00 1.12 C ATOM 58 C ALA A 35 -4.706 4.978 6.069 1.00 1.09 C ATOM 59 O ALA A 35 -5.588 4.207 6.432 1.00 1.10 O ATOM 60 CB ALA A 35 -5.070 7.491 5.766 1.00 1.26 C ATOM 0 H ALA A 35 -2.877 7.442 6.815 1.00 1.03 H new ATOM 0 HA ALA A 35 -5.386 6.327 7.535 1.00 1.12 H new ATOM 0 HB1 ALA A 35 -6.051 7.269 5.346 1.00 1.26 H new ATOM 0 HB2 ALA A 35 -5.113 8.436 6.308 1.00 1.26 H new ATOM 0 HB3 ALA A 35 -4.339 7.568 4.961 1.00 1.26 H new ATOM 66 N ILE A 36 -3.769 4.594 5.186 1.00 1.11 N ATOM 67 CA ILE A 36 -3.802 3.262 4.545 1.00 1.14 C ATOM 68 C ILE A 36 -3.627 2.138 5.569 1.00 1.07 C ATOM 69 O ILE A 36 -4.336 1.140 5.499 1.00 1.10 O ATOM 70 CB ILE A 36 -2.810 3.140 3.361 1.00 1.28 C ATOM 71 CG1 ILE A 36 -3.340 2.104 2.351 1.00 1.95 C ATOM 72 CG2 ILE A 36 -1.369 2.773 3.761 1.00 1.69 C ATOM 73 CD1 ILE A 36 -2.496 2.002 1.077 1.00 2.10 C ATOM 0 H ILE A 36 -2.984 5.179 4.899 1.00 1.11 H new ATOM 0 HA ILE A 36 -4.796 3.150 4.112 1.00 1.14 H new ATOM 0 HB ILE A 36 -2.752 4.135 2.920 1.00 1.28 H new ATOM 0 HG12 ILE A 36 -3.377 1.126 2.832 1.00 1.95 H new ATOM 0 HG13 ILE A 36 -4.363 2.364 2.079 1.00 1.95 H new ATOM 0 HG21 ILE A 36 -0.748 2.710 2.867 1.00 1.69 H new ATOM 0 HG22 ILE A 36 -0.970 3.538 4.427 1.00 1.69 H new ATOM 0 HG23 ILE A 36 -1.367 1.810 4.272 1.00 1.69 H new ATOM 0 HD11 ILE A 36 -2.929 1.254 0.413 1.00 2.10 H new ATOM 0 HD12 ILE A 36 -2.480 2.968 0.573 1.00 2.10 H new ATOM 0 HD13 ILE A 36 -1.478 1.711 1.337 1.00 2.10 H new ATOM 85 N ARG A 37 -2.756 2.332 6.566 1.00 0.97 N ATOM 86 CA ARG A 37 -2.580 1.442 7.728 1.00 0.86 C ATOM 87 C ARG A 37 -3.937 1.189 8.391 1.00 0.81 C ATOM 88 O ARG A 37 -4.436 0.064 8.382 1.00 0.81 O ATOM 89 CB ARG A 37 -1.536 2.099 8.656 1.00 0.82 C ATOM 90 CG ARG A 37 -0.938 1.258 9.789 1.00 1.48 C ATOM 91 CD ARG A 37 -1.841 0.946 10.987 1.00 2.74 C ATOM 92 NE ARG A 37 -0.997 0.503 12.108 1.00 3.56 N ATOM 93 CZ ARG A 37 -1.324 0.277 13.362 1.00 4.96 C ATOM 94 NH1 ARG A 37 -2.550 0.215 13.783 1.00 5.99 N ATOM 95 NH2 ARG A 37 -0.397 0.093 14.251 1.00 5.73 N ATOM 0 H ARG A 37 -2.132 3.138 6.590 1.00 0.97 H new ATOM 0 HA ARG A 37 -2.205 0.458 7.448 1.00 0.86 H new ATOM 0 HB2 ARG A 37 -0.713 2.451 8.034 1.00 0.82 H new ATOM 0 HB3 ARG A 37 -1.997 2.980 9.103 1.00 0.82 H new ATOM 0 HG2 ARG A 37 -0.602 0.312 9.365 1.00 1.48 H new ATOM 0 HG3 ARG A 37 -0.052 1.774 10.160 1.00 1.48 H new ATOM 0 HD2 ARG A 37 -2.413 1.830 11.270 1.00 2.74 H new ATOM 0 HD3 ARG A 37 -2.561 0.171 10.726 1.00 2.74 H new ATOM 0 HE ARG A 37 -0.015 0.349 11.879 1.00 3.56 H new ATOM 0 HH11 ARG A 37 -3.321 0.345 13.128 1.00 5.99 H new ATOM 0 HH12 ARG A 37 -2.742 0.037 14.769 1.00 5.99 H new ATOM 0 HH21 ARG A 37 0.585 0.124 13.978 1.00 5.73 H new ATOM 0 HH22 ARG A 37 -0.650 -0.082 15.223 1.00 5.73 H new ATOM 109 N THR A 38 -4.583 2.264 8.841 1.00 0.81 N ATOM 110 CA THR A 38 -5.916 2.206 9.476 1.00 0.81 C ATOM 111 C THR A 38 -7.005 1.582 8.571 1.00 0.86 C ATOM 112 O THR A 38 -7.713 0.650 8.974 1.00 0.85 O ATOM 113 CB THR A 38 -6.311 3.627 9.909 1.00 0.93 C ATOM 114 OG1 THR A 38 -5.315 4.148 10.767 1.00 1.10 O ATOM 115 CG2 THR A 38 -7.629 3.694 10.670 1.00 1.07 C ATOM 0 H THR A 38 -4.202 3.208 8.779 1.00 0.81 H new ATOM 0 HA THR A 38 -5.847 1.545 10.340 1.00 0.81 H new ATOM 0 HB THR A 38 -6.418 4.199 8.988 1.00 0.93 H new ATOM 0 HG1 THR A 38 -4.588 4.528 10.231 1.00 1.10 H new ATOM 0 HG21 THR A 38 -7.840 4.728 10.942 1.00 1.07 H new ATOM 0 HG22 THR A 38 -8.433 3.313 10.040 1.00 1.07 H new ATOM 0 HG23 THR A 38 -7.559 3.089 11.574 1.00 1.07 H new ATOM 123 N LYS A 39 -7.125 2.059 7.326 1.00 0.92 N ATOM 124 CA LYS A 39 -8.164 1.668 6.356 1.00 0.96 C ATOM 125 C LYS A 39 -8.044 0.206 5.921 1.00 0.97 C ATOM 126 O LYS A 39 -9.066 -0.458 5.743 1.00 0.99 O ATOM 127 CB LYS A 39 -8.085 2.599 5.129 1.00 1.07 C ATOM 128 CG LYS A 39 -8.583 4.027 5.420 1.00 1.50 C ATOM 129 CD LYS A 39 -8.216 4.992 4.281 1.00 2.71 C ATOM 130 CE LYS A 39 -8.978 6.319 4.423 1.00 3.70 C ATOM 131 NZ LYS A 39 -10.038 6.459 3.397 1.00 4.33 N ATOM 0 H LYS A 39 -6.479 2.753 6.949 1.00 0.92 H new ATOM 0 HA LYS A 39 -9.133 1.769 6.846 1.00 0.96 H new ATOM 0 HB2 LYS A 39 -7.053 2.645 4.781 1.00 1.07 H new ATOM 0 HB3 LYS A 39 -8.676 2.173 4.318 1.00 1.07 H new ATOM 0 HG2 LYS A 39 -9.664 4.016 5.556 1.00 1.50 H new ATOM 0 HG3 LYS A 39 -8.148 4.382 6.354 1.00 1.50 H new ATOM 0 HD2 LYS A 39 -7.143 5.181 4.290 1.00 2.71 H new ATOM 0 HD3 LYS A 39 -8.451 4.534 3.320 1.00 2.71 H new ATOM 0 HE2 LYS A 39 -9.424 6.377 5.416 1.00 3.70 H new ATOM 0 HE3 LYS A 39 -8.278 7.150 4.338 1.00 3.70 H new ATOM 0 HZ1 LYS A 39 -10.529 7.367 3.527 1.00 4.33 H new ATOM 0 HZ2 LYS A 39 -9.610 6.429 2.450 1.00 4.33 H new ATOM 0 HZ3 LYS A 39 -10.720 5.680 3.494 1.00 4.33 H new ATOM 145 N LEU A 40 -6.827 -0.313 5.761 1.00 0.98 N ATOM 146 CA LEU A 40 -6.594 -1.702 5.361 1.00 1.04 C ATOM 147 C LEU A 40 -6.661 -2.658 6.565 1.00 0.98 C ATOM 148 O LEU A 40 -7.143 -3.779 6.390 1.00 1.05 O ATOM 149 CB LEU A 40 -5.289 -1.808 4.552 1.00 1.16 C ATOM 150 CG LEU A 40 -5.329 -1.275 3.095 1.00 1.20 C ATOM 151 CD1 LEU A 40 -5.923 -2.312 2.141 1.00 1.33 C ATOM 152 CD2 LEU A 40 -6.100 0.026 2.833 1.00 1.45 C ATOM 0 H LEU A 40 -5.970 0.221 5.906 1.00 0.98 H new ATOM 0 HA LEU A 40 -7.399 -2.024 4.700 1.00 1.04 H new ATOM 0 HB2 LEU A 40 -4.510 -1.269 5.091 1.00 1.16 H new ATOM 0 HB3 LEU A 40 -4.990 -2.856 4.523 1.00 1.16 H new ATOM 0 HG LEU A 40 -4.274 -1.063 2.919 1.00 1.20 H new ATOM 0 HD11 LEU A 40 -5.937 -1.909 1.128 1.00 1.33 H new ATOM 0 HD12 LEU A 40 -5.315 -3.217 2.163 1.00 1.33 H new ATOM 0 HD13 LEU A 40 -6.940 -2.551 2.451 1.00 1.33 H new ATOM 0 HD21 LEU A 40 -6.042 0.276 1.774 1.00 1.45 H new ATOM 0 HD22 LEU A 40 -7.144 -0.106 3.118 1.00 1.45 H new ATOM 0 HD23 LEU A 40 -5.662 0.833 3.421 1.00 1.45 H new ATOM 164 N GLU A 41 -6.304 -2.223 7.785 1.00 0.90 N ATOM 165 CA GLU A 41 -6.716 -2.932 9.015 1.00 0.89 C ATOM 166 C GLU A 41 -8.241 -3.083 9.121 1.00 0.93 C ATOM 167 O GLU A 41 -8.721 -4.135 9.549 1.00 1.05 O ATOM 168 CB GLU A 41 -6.241 -2.200 10.277 1.00 0.88 C ATOM 169 CG GLU A 41 -4.762 -2.376 10.624 1.00 1.12 C ATOM 170 CD GLU A 41 -4.515 -1.724 11.986 1.00 1.52 C ATOM 171 OE1 GLU A 41 -4.635 -0.481 12.113 1.00 2.45 O ATOM 172 OE2 GLU A 41 -4.287 -2.461 12.971 1.00 2.42 O ATOM 0 H GLU A 41 -5.736 -1.392 7.949 1.00 0.90 H new ATOM 0 HA GLU A 41 -6.252 -3.916 8.947 1.00 0.89 H new ATOM 0 HB2 GLU A 41 -6.444 -1.136 10.156 1.00 0.88 H new ATOM 0 HB3 GLU A 41 -6.838 -2.544 11.122 1.00 0.88 H new ATOM 0 HG2 GLU A 41 -4.501 -3.434 10.655 1.00 1.12 H new ATOM 0 HG3 GLU A 41 -4.134 -1.915 9.861 1.00 1.12 H new ATOM 179 N GLU A 42 -9.001 -2.060 8.716 1.00 0.92 N ATOM 180 CA GLU A 42 -10.463 -2.109 8.666 1.00 1.00 C ATOM 181 C GLU A 42 -11.004 -2.949 7.483 1.00 1.08 C ATOM 182 O GLU A 42 -12.051 -3.586 7.629 1.00 1.22 O ATOM 183 CB GLU A 42 -10.949 -0.647 8.726 1.00 1.05 C ATOM 184 CG GLU A 42 -12.265 -0.340 8.018 1.00 1.50 C ATOM 185 CD GLU A 42 -12.716 1.120 8.193 1.00 2.01 C ATOM 186 OE1 GLU A 42 -13.940 1.384 8.109 1.00 2.73 O ATOM 187 OE2 GLU A 42 -11.870 2.040 8.329 1.00 3.19 O ATOM 0 H GLU A 42 -8.613 -1.167 8.411 1.00 0.92 H new ATOM 0 HA GLU A 42 -10.875 -2.650 9.518 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -11.050 -0.363 9.774 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -10.174 -0.012 8.297 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -12.158 -0.556 6.955 1.00 1.50 H new ATOM 0 HG3 GLU A 42 -13.041 -1.002 8.402 1.00 1.50 H new ATOM 194 N ALA A 43 -10.306 -3.010 6.341 1.00 1.07 N ATOM 195 CA ALA A 43 -10.769 -3.733 5.147 1.00 1.18 C ATOM 196 C ALA A 43 -10.419 -5.236 5.078 1.00 1.17 C ATOM 197 O ALA A 43 -11.304 -6.044 4.790 1.00 1.30 O ATOM 198 CB ALA A 43 -10.244 -3.015 3.897 1.00 1.25 C ATOM 0 H ALA A 43 -9.400 -2.557 6.218 1.00 1.07 H new ATOM 0 HA ALA A 43 -11.857 -3.717 5.206 1.00 1.18 H new ATOM 0 HB1 ALA A 43 -10.582 -3.543 3.005 1.00 1.25 H new ATOM 0 HB2 ALA A 43 -10.622 -1.993 3.879 1.00 1.25 H new ATOM 0 HB3 ALA A 43 -9.154 -2.998 3.918 1.00 1.25 H new ATOM 204 N LEU A 44 -9.134 -5.606 5.218 1.00 1.05 N ATOM 205 CA LEU A 44 -8.627 -6.934 4.831 1.00 1.08 C ATOM 206 C LEU A 44 -7.729 -7.653 5.848 1.00 1.08 C ATOM 207 O LEU A 44 -7.352 -8.803 5.617 1.00 1.30 O ATOM 208 CB LEU A 44 -8.041 -6.877 3.431 1.00 1.20 C ATOM 209 CG LEU A 44 -6.803 -6.013 3.174 1.00 1.24 C ATOM 210 CD1 LEU A 44 -5.485 -6.644 3.625 1.00 0.97 C ATOM 211 CD2 LEU A 44 -6.783 -5.884 1.659 1.00 1.88 C ATOM 0 H LEU A 44 -8.417 -4.992 5.603 1.00 1.05 H new ATOM 0 HA LEU A 44 -9.498 -7.589 4.827 1.00 1.08 H new ATOM 0 HB2 LEU A 44 -7.796 -7.897 3.136 1.00 1.20 H new ATOM 0 HB3 LEU A 44 -8.827 -6.531 2.760 1.00 1.20 H new ATOM 0 HG LEU A 44 -6.873 -5.080 3.732 1.00 1.24 H new ATOM 0 HD11 LEU A 44 -4.662 -5.964 3.405 1.00 0.97 H new ATOM 0 HD12 LEU A 44 -5.521 -6.835 4.698 1.00 0.97 H new ATOM 0 HD13 LEU A 44 -5.331 -7.584 3.094 1.00 0.97 H new ATOM 0 HD21 LEU A 44 -5.929 -5.278 1.357 1.00 1.88 H new ATOM 0 HD22 LEU A 44 -6.703 -6.874 1.211 1.00 1.88 H new ATOM 0 HD23 LEU A 44 -7.703 -5.407 1.322 1.00 1.88 H new ATOM 223 N SER A 45 -7.365 -6.985 6.945 1.00 1.01 N ATOM 224 CA SER A 45 -6.412 -7.478 7.951 1.00 1.15 C ATOM 225 C SER A 45 -5.005 -7.791 7.383 1.00 1.11 C ATOM 226 O SER A 45 -4.682 -8.900 6.956 1.00 1.52 O ATOM 227 CB SER A 45 -7.050 -8.573 8.812 1.00 1.53 C ATOM 228 OG SER A 45 -8.204 -8.077 9.464 1.00 1.74 O ATOM 0 H SER A 45 -7.733 -6.060 7.167 1.00 1.01 H new ATOM 0 HA SER A 45 -6.192 -6.661 8.638 1.00 1.15 H new ATOM 0 HB2 SER A 45 -7.315 -9.427 8.188 1.00 1.53 H new ATOM 0 HB3 SER A 45 -6.332 -8.929 9.551 1.00 1.53 H new ATOM 0 HG SER A 45 -8.602 -8.787 10.009 1.00 1.74 H new ATOM 234 N PRO A 46 -4.112 -6.788 7.363 1.00 0.77 N ATOM 235 CA PRO A 46 -2.664 -6.983 7.332 1.00 0.61 C ATOM 236 C PRO A 46 -2.121 -7.737 8.554 1.00 0.65 C ATOM 237 O PRO A 46 -2.673 -7.627 9.647 1.00 0.88 O ATOM 238 CB PRO A 46 -2.087 -5.566 7.292 1.00 0.63 C ATOM 239 CG PRO A 46 -3.183 -4.724 6.647 1.00 0.70 C ATOM 240 CD PRO A 46 -4.442 -5.384 7.203 1.00 0.79 C ATOM 0 HA PRO A 46 -2.383 -7.597 6.477 1.00 0.61 H new ATOM 0 HB2 PRO A 46 -1.848 -5.207 8.293 1.00 0.63 H new ATOM 0 HB3 PRO A 46 -1.165 -5.529 6.712 1.00 0.63 H new ATOM 0 HG2 PRO A 46 -3.112 -3.673 6.929 1.00 0.70 H new ATOM 0 HG3 PRO A 46 -3.145 -4.765 5.558 1.00 0.70 H new ATOM 0 HD2 PRO A 46 -4.730 -4.938 8.155 1.00 0.79 H new ATOM 0 HD3 PRO A 46 -5.284 -5.255 6.523 1.00 0.79 H new ATOM 248 N GLU A 47 -0.978 -8.407 8.388 1.00 0.65 N ATOM 249 CA GLU A 47 0.003 -8.573 9.471 1.00 0.82 C ATOM 250 C GLU A 47 0.955 -7.388 9.451 1.00 0.82 C ATOM 251 O GLU A 47 1.090 -6.655 10.429 1.00 1.30 O ATOM 252 CB GLU A 47 0.832 -9.859 9.280 1.00 1.03 C ATOM 253 CG GLU A 47 1.648 -10.254 10.532 1.00 1.54 C ATOM 254 CD GLU A 47 3.036 -9.680 10.830 1.00 3.82 C ATOM 255 OE1 GLU A 47 3.136 -8.520 11.287 1.00 5.37 O ATOM 256 OE2 GLU A 47 4.028 -10.445 10.759 1.00 4.77 O ATOM 0 H GLU A 47 -0.705 -8.847 7.509 1.00 0.65 H new ATOM 0 HA GLU A 47 -0.535 -8.636 10.417 1.00 0.82 H new ATOM 0 HB2 GLU A 47 0.163 -10.678 9.018 1.00 1.03 H new ATOM 0 HB3 GLU A 47 1.513 -9.722 8.440 1.00 1.03 H new ATOM 0 HG2 GLU A 47 1.024 -10.023 11.395 1.00 1.54 H new ATOM 0 HG3 GLU A 47 1.760 -11.338 10.501 1.00 1.54 H new ATOM 263 N VAL A 48 1.591 -7.205 8.293 1.00 0.61 N ATOM 264 CA VAL A 48 2.831 -6.463 8.178 1.00 0.76 C ATOM 265 C VAL A 48 2.674 -5.239 7.301 1.00 0.96 C ATOM 266 O VAL A 48 2.042 -5.287 6.242 1.00 1.32 O ATOM 267 CB VAL A 48 4.005 -7.326 7.667 1.00 1.08 C ATOM 268 CG1 VAL A 48 5.117 -7.122 8.633 1.00 0.93 C ATOM 269 CG2 VAL A 48 3.934 -8.860 7.610 1.00 2.43 C ATOM 0 H VAL A 48 1.251 -7.574 7.405 1.00 0.61 H new ATOM 0 HA VAL A 48 3.073 -6.143 9.191 1.00 0.76 H new ATOM 0 HB VAL A 48 4.070 -6.994 6.631 1.00 1.08 H new ATOM 0 HG11 VAL A 48 5.981 -7.710 8.323 1.00 0.93 H new ATOM 0 HG12 VAL A 48 5.387 -6.066 8.659 1.00 0.93 H new ATOM 0 HG13 VAL A 48 4.799 -7.440 9.626 1.00 0.93 H new ATOM 0 HG21 VAL A 48 4.872 -9.253 7.218 1.00 2.43 H new ATOM 0 HG22 VAL A 48 3.766 -9.254 8.612 1.00 2.43 H new ATOM 0 HG23 VAL A 48 3.114 -9.162 6.959 1.00 2.43 H new ATOM 279 N LEU A 49 3.258 -4.138 7.758 1.00 0.98 N ATOM 280 CA LEU A 49 3.082 -2.825 7.170 1.00 0.90 C ATOM 281 C LEU A 49 4.363 -2.000 7.368 1.00 0.91 C ATOM 282 O LEU A 49 4.737 -1.690 8.500 1.00 1.22 O ATOM 283 CB LEU A 49 1.823 -2.229 7.849 1.00 1.66 C ATOM 284 CG LEU A 49 1.099 -1.059 7.169 1.00 1.26 C ATOM 285 CD1 LEU A 49 1.895 0.232 7.220 1.00 2.26 C ATOM 286 CD2 LEU A 49 0.721 -1.356 5.722 1.00 1.45 C ATOM 0 H LEU A 49 3.880 -4.138 8.566 1.00 0.98 H new ATOM 0 HA LEU A 49 2.924 -2.842 6.092 1.00 0.90 H new ATOM 0 HB2 LEU A 49 1.101 -3.037 7.972 1.00 1.66 H new ATOM 0 HB3 LEU A 49 2.110 -1.903 8.849 1.00 1.66 H new ATOM 0 HG LEU A 49 0.184 -0.929 7.747 1.00 1.26 H new ATOM 0 HD11 LEU A 49 1.335 1.025 6.724 1.00 2.26 H new ATOM 0 HD12 LEU A 49 2.073 0.509 8.259 1.00 2.26 H new ATOM 0 HD13 LEU A 49 2.850 0.091 6.713 1.00 2.26 H new ATOM 0 HD21 LEU A 49 0.212 -0.492 5.294 1.00 1.45 H new ATOM 0 HD22 LEU A 49 1.622 -1.568 5.147 1.00 1.45 H new ATOM 0 HD23 LEU A 49 0.058 -2.221 5.689 1.00 1.45 H new ATOM 298 N GLU A 50 5.055 -1.664 6.274 1.00 0.74 N ATOM 299 CA GLU A 50 6.195 -0.733 6.294 1.00 0.74 C ATOM 300 C GLU A 50 6.205 0.185 5.067 1.00 0.72 C ATOM 301 O GLU A 50 6.203 -0.279 3.930 1.00 0.79 O ATOM 302 CB GLU A 50 7.524 -1.479 6.298 1.00 0.79 C ATOM 303 CG GLU A 50 7.800 -2.371 7.517 1.00 0.89 C ATOM 304 CD GLU A 50 9.234 -2.928 7.550 1.00 1.28 C ATOM 305 OE1 GLU A 50 9.630 -3.495 8.599 1.00 1.97 O ATOM 306 OE2 GLU A 50 9.978 -2.827 6.542 1.00 2.23 O ATOM 0 H GLU A 50 4.842 -2.030 5.346 1.00 0.74 H new ATOM 0 HA GLU A 50 6.078 -0.146 7.205 1.00 0.74 H new ATOM 0 HB2 GLU A 50 7.571 -2.099 5.403 1.00 0.79 H new ATOM 0 HB3 GLU A 50 8.328 -0.747 6.221 1.00 0.79 H new ATOM 0 HG2 GLU A 50 7.619 -1.798 8.426 1.00 0.89 H new ATOM 0 HG3 GLU A 50 7.095 -3.202 7.518 1.00 0.89 H new ATOM 313 N LEU A 51 6.190 1.497 5.265 1.00 0.69 N ATOM 314 CA LEU A 51 5.898 2.468 4.191 1.00 0.65 C ATOM 315 C LEU A 51 6.541 3.866 4.322 1.00 0.73 C ATOM 316 O LEU A 51 6.866 4.309 5.426 1.00 0.89 O ATOM 317 CB LEU A 51 4.371 2.509 4.006 1.00 0.65 C ATOM 318 CG LEU A 51 3.601 3.381 5.001 1.00 0.77 C ATOM 319 CD1 LEU A 51 2.098 3.198 4.794 1.00 1.08 C ATOM 320 CD2 LEU A 51 3.900 3.129 6.478 1.00 0.93 C ATOM 0 H LEU A 51 6.378 1.929 6.170 1.00 0.69 H new ATOM 0 HA LEU A 51 6.392 2.110 3.288 1.00 0.65 H new ATOM 0 HB2 LEU A 51 4.156 2.865 2.998 1.00 0.65 H new ATOM 0 HB3 LEU A 51 3.989 1.490 4.073 1.00 0.65 H new ATOM 0 HG LEU A 51 3.939 4.395 4.786 1.00 0.77 H new ATOM 0 HD11 LEU A 51 1.554 3.821 5.505 1.00 1.08 H new ATOM 0 HD12 LEU A 51 1.832 3.490 3.778 1.00 1.08 H new ATOM 0 HD13 LEU A 51 1.834 2.152 4.952 1.00 1.08 H new ATOM 0 HD21 LEU A 51 3.300 3.801 7.091 1.00 0.93 H new ATOM 0 HD22 LEU A 51 3.657 2.096 6.727 1.00 0.93 H new ATOM 0 HD23 LEU A 51 4.958 3.309 6.671 1.00 0.93 H new ATOM 332 N ARG A 52 6.689 4.594 3.204 1.00 0.70 N ATOM 333 CA ARG A 52 7.175 5.986 3.143 1.00 0.79 C ATOM 334 C ARG A 52 6.606 6.697 1.914 1.00 0.65 C ATOM 335 O ARG A 52 6.658 6.182 0.793 1.00 0.73 O ATOM 336 CB ARG A 52 8.717 6.062 3.062 1.00 1.13 C ATOM 337 CG ARG A 52 9.493 5.799 4.362 1.00 1.85 C ATOM 338 CD ARG A 52 9.960 4.343 4.509 1.00 2.86 C ATOM 339 NE ARG A 52 10.720 4.134 5.753 1.00 4.31 N ATOM 340 CZ ARG A 52 10.255 4.075 6.987 1.00 5.87 C ATOM 341 NH1 ARG A 52 9.000 4.226 7.279 1.00 6.58 N ATOM 342 NH2 ARG A 52 11.081 3.847 7.959 1.00 7.17 N ATOM 0 H ARG A 52 6.466 4.218 2.283 1.00 0.70 H new ATOM 0 HA ARG A 52 6.841 6.470 4.061 1.00 0.79 H new ATOM 0 HB2 ARG A 52 9.054 5.344 2.314 1.00 1.13 H new ATOM 0 HB3 ARG A 52 8.990 7.053 2.698 1.00 1.13 H new ATOM 0 HG2 ARG A 52 10.361 6.457 4.398 1.00 1.85 H new ATOM 0 HG3 ARG A 52 8.862 6.058 5.212 1.00 1.85 H new ATOM 0 HD2 ARG A 52 9.094 3.681 4.497 1.00 2.86 H new ATOM 0 HD3 ARG A 52 10.580 4.072 3.655 1.00 2.86 H new ATOM 0 HE ARG A 52 11.728 4.021 5.648 1.00 4.31 H new ATOM 0 HH11 ARG A 52 8.321 4.399 6.538 1.00 6.58 H new ATOM 0 HH12 ARG A 52 8.692 4.171 8.250 1.00 6.58 H new ATOM 0 HH21 ARG A 52 12.074 3.716 7.765 1.00 7.17 H new ATOM 0 HH22 ARG A 52 10.738 3.798 8.919 1.00 7.17 H new ATOM 356 N ASN A 53 6.135 7.928 2.086 1.00 0.75 N ATOM 357 CA ASN A 53 5.811 8.781 0.950 1.00 0.72 C ATOM 358 C ASN A 53 7.096 9.285 0.244 1.00 0.78 C ATOM 359 O ASN A 53 8.131 9.481 0.881 1.00 0.98 O ATOM 360 CB ASN A 53 4.718 9.790 1.361 1.00 0.83 C ATOM 361 CG ASN A 53 5.183 11.087 2.002 1.00 1.02 C ATOM 362 OD1 ASN A 53 6.354 11.417 2.061 1.00 1.61 O ATOM 363 ND2 ASN A 53 4.278 11.910 2.470 1.00 1.09 N ATOM 0 H ASN A 53 5.970 8.355 2.997 1.00 0.75 H new ATOM 0 HA ASN A 53 5.337 8.237 0.133 1.00 0.72 H new ATOM 0 HB2 ASN A 53 4.137 10.040 0.474 1.00 0.83 H new ATOM 0 HB3 ASN A 53 4.041 9.292 2.056 1.00 0.83 H new ATOM 0 HD21 ASN A 53 4.561 12.804 2.872 1.00 1.09 H new ATOM 0 HD22 ASN A 53 3.291 11.657 2.432 1.00 1.09 H new ATOM 370 N GLU A 54 7.063 9.386 -1.086 1.00 0.83 N ATOM 371 CA GLU A 54 8.244 9.666 -1.929 1.00 0.98 C ATOM 372 C GLU A 54 8.377 11.167 -2.271 1.00 0.80 C ATOM 373 O GLU A 54 9.458 11.650 -2.616 1.00 0.91 O ATOM 374 CB GLU A 54 8.166 8.771 -3.185 1.00 1.26 C ATOM 375 CG GLU A 54 9.363 8.886 -4.147 1.00 1.62 C ATOM 376 CD GLU A 54 9.240 7.930 -5.345 1.00 2.51 C ATOM 377 OE1 GLU A 54 8.192 7.979 -6.031 1.00 3.58 O ATOM 378 OE2 GLU A 54 10.176 7.148 -5.650 1.00 3.24 O ATOM 0 H GLU A 54 6.204 9.275 -1.624 1.00 0.83 H new ATOM 0 HA GLU A 54 9.152 9.425 -1.377 1.00 0.98 H new ATOM 0 HB2 GLU A 54 8.075 7.733 -2.867 1.00 1.26 H new ATOM 0 HB3 GLU A 54 7.256 9.018 -3.732 1.00 1.26 H new ATOM 0 HG2 GLU A 54 9.439 9.911 -4.509 1.00 1.62 H new ATOM 0 HG3 GLU A 54 10.284 8.670 -3.605 1.00 1.62 H new ATOM 385 N SER A 55 7.277 11.913 -2.147 1.00 0.64 N ATOM 386 CA SER A 55 7.059 13.253 -2.703 1.00 0.72 C ATOM 387 C SER A 55 8.002 14.375 -2.259 1.00 0.94 C ATOM 388 O SER A 55 8.114 15.377 -2.956 1.00 1.23 O ATOM 389 CB SER A 55 5.607 13.623 -2.439 1.00 0.80 C ATOM 390 OG SER A 55 5.314 13.713 -1.055 1.00 1.24 O ATOM 0 H SER A 55 6.466 11.580 -1.625 1.00 0.64 H new ATOM 0 HA SER A 55 7.298 13.174 -3.764 1.00 0.72 H new ATOM 0 HB2 SER A 55 5.386 14.577 -2.917 1.00 0.80 H new ATOM 0 HB3 SER A 55 4.956 12.878 -2.897 1.00 0.80 H new ATOM 0 HG SER A 55 4.698 14.459 -0.899 1.00 1.24 H new ATOM 396 N GLY A 56 8.780 14.193 -1.195 1.00 0.96 N ATOM 397 CA GLY A 56 9.866 15.116 -0.826 1.00 1.16 C ATOM 398 C GLY A 56 11.040 15.131 -1.824 1.00 1.25 C ATOM 399 O GLY A 56 11.859 16.055 -1.799 1.00 1.46 O ATOM 0 H GLY A 56 8.680 13.402 -0.559 1.00 0.96 H new ATOM 0 HA2 GLY A 56 9.460 16.124 -0.743 1.00 1.16 H new ATOM 0 HA3 GLY A 56 10.243 14.842 0.159 1.00 1.16 H new ATOM 403 N GLY A 57 11.086 14.171 -2.760 1.00 1.20 N ATOM 404 CA GLY A 57 11.929 14.202 -3.966 1.00 1.41 C ATOM 405 C GLY A 57 11.409 15.109 -5.099 1.00 1.51 C ATOM 406 O GLY A 57 12.010 15.138 -6.176 1.00 2.54 O ATOM 0 H GLY A 57 10.520 13.325 -2.697 1.00 1.20 H new ATOM 0 HA2 GLY A 57 12.928 14.534 -3.684 1.00 1.41 H new ATOM 0 HA3 GLY A 57 12.027 13.186 -4.349 1.00 1.41 H new ATOM 410 N HIS A 58 10.301 15.827 -4.875 1.00 1.02 N ATOM 411 CA HIS A 58 9.645 16.760 -5.800 1.00 1.10 C ATOM 412 C HIS A 58 9.514 18.161 -5.163 1.00 1.29 C ATOM 413 O HIS A 58 9.579 18.320 -3.938 1.00 1.90 O ATOM 414 CB HIS A 58 8.282 16.167 -6.234 1.00 1.05 C ATOM 415 CG HIS A 58 8.426 14.879 -7.019 1.00 1.23 C ATOM 416 ND1 HIS A 58 8.455 14.766 -8.390 1.00 1.61 N ATOM 417 CD2 HIS A 58 8.617 13.617 -6.515 1.00 1.21 C ATOM 418 CE1 HIS A 58 8.667 13.479 -8.701 1.00 1.81 C ATOM 419 NE2 HIS A 58 8.800 12.739 -7.588 1.00 1.59 N ATOM 0 H HIS A 58 9.807 15.768 -3.985 1.00 1.02 H new ATOM 0 HA HIS A 58 10.254 16.891 -6.695 1.00 1.10 H new ATOM 0 HB2 HIS A 58 7.673 15.982 -5.349 1.00 1.05 H new ATOM 0 HB3 HIS A 58 7.749 16.899 -6.840 1.00 1.05 H new ATOM 0 HD2 HIS A 58 8.625 13.348 -5.469 1.00 1.21 H new ATOM 0 HE1 HIS A 58 8.723 13.091 -9.707 1.00 1.81 H new ATOM 0 HE2 HIS A 58 8.995 11.739 -7.536 1.00 1.59 H new ATOM 427 N ALA A 59 9.304 19.193 -5.987 1.00 1.73 N ATOM 428 CA ALA A 59 9.254 20.612 -5.592 1.00 1.99 C ATOM 429 C ALA A 59 7.943 21.041 -4.889 1.00 1.89 C ATOM 430 O ALA A 59 7.534 22.208 -4.932 1.00 2.44 O ATOM 431 CB ALA A 59 9.564 21.456 -6.835 1.00 2.41 C ATOM 0 H ALA A 59 9.158 19.062 -6.988 1.00 1.73 H new ATOM 0 HA ALA A 59 10.007 20.779 -4.822 1.00 1.99 H new ATOM 0 HB1 ALA A 59 9.534 22.514 -6.573 1.00 2.41 H new ATOM 0 HB2 ALA A 59 10.556 21.202 -7.209 1.00 2.41 H new ATOM 0 HB3 ALA A 59 8.822 21.252 -7.607 1.00 2.41 H new ATOM 437 N VAL A 60 7.246 20.089 -4.271 1.00 1.40 N ATOM 438 CA VAL A 60 5.863 20.226 -3.795 1.00 1.23 C ATOM 439 C VAL A 60 5.772 20.875 -2.398 1.00 1.39 C ATOM 440 O VAL A 60 6.734 20.776 -1.623 1.00 1.62 O ATOM 441 CB VAL A 60 5.136 18.869 -3.850 1.00 0.97 C ATOM 442 CG1 VAL A 60 5.046 18.343 -5.286 1.00 1.16 C ATOM 443 CG2 VAL A 60 5.788 17.797 -2.968 1.00 0.96 C ATOM 0 H VAL A 60 7.639 19.167 -4.079 1.00 1.40 H new ATOM 0 HA VAL A 60 5.354 20.912 -4.472 1.00 1.23 H new ATOM 0 HB VAL A 60 4.136 19.061 -3.461 1.00 0.97 H new ATOM 0 HG11 VAL A 60 4.528 17.384 -5.290 1.00 1.16 H new ATOM 0 HG12 VAL A 60 4.496 19.056 -5.901 1.00 1.16 H new ATOM 0 HG13 VAL A 60 6.050 18.214 -5.690 1.00 1.16 H new ATOM 0 HG21 VAL A 60 5.227 16.866 -3.052 1.00 0.96 H new ATOM 0 HG22 VAL A 60 6.815 17.633 -3.294 1.00 0.96 H new ATOM 0 HG23 VAL A 60 5.786 18.129 -1.930 1.00 0.96 H new ATOM 453 N PRO A 61 4.645 21.527 -2.042 1.00 1.46 N ATOM 454 CA PRO A 61 4.476 22.203 -0.749 1.00 1.70 C ATOM 455 C PRO A 61 4.642 21.278 0.475 1.00 1.80 C ATOM 456 O PRO A 61 4.450 20.065 0.357 1.00 1.67 O ATOM 457 CB PRO A 61 3.066 22.807 -0.788 1.00 1.87 C ATOM 458 CG PRO A 61 2.800 23.011 -2.276 1.00 1.73 C ATOM 459 CD PRO A 61 3.502 21.813 -2.905 1.00 1.47 C ATOM 0 HA PRO A 61 5.258 22.951 -0.623 1.00 1.70 H new ATOM 0 HB2 PRO A 61 2.332 22.139 -0.338 1.00 1.87 H new ATOM 0 HB3 PRO A 61 3.018 23.748 -0.240 1.00 1.87 H new ATOM 0 HG2 PRO A 61 1.733 23.020 -2.500 1.00 1.73 H new ATOM 0 HG3 PRO A 61 3.209 23.955 -2.635 1.00 1.73 H new ATOM 0 HD2 PRO A 61 2.833 20.955 -2.966 1.00 1.47 H new ATOM 0 HD3 PRO A 61 3.825 22.038 -3.921 1.00 1.47 H new ATOM 467 N PRO A 62 4.938 21.808 1.679 1.00 2.15 N ATOM 468 CA PRO A 62 4.896 21.022 2.911 1.00 2.39 C ATOM 469 C PRO A 62 3.486 20.451 3.141 1.00 2.27 C ATOM 470 O PRO A 62 2.477 21.125 2.893 1.00 2.20 O ATOM 471 CB PRO A 62 5.345 21.969 4.029 1.00 2.85 C ATOM 472 CG PRO A 62 4.991 23.354 3.487 1.00 2.68 C ATOM 473 CD PRO A 62 5.205 23.205 1.981 1.00 2.40 C ATOM 0 HA PRO A 62 5.554 20.154 2.871 1.00 2.39 H new ATOM 0 HB2 PRO A 62 4.827 21.760 4.965 1.00 2.85 H new ATOM 0 HB3 PRO A 62 6.413 21.877 4.228 1.00 2.85 H new ATOM 0 HG2 PRO A 62 3.963 23.628 3.722 1.00 2.68 H new ATOM 0 HG3 PRO A 62 5.632 24.128 3.910 1.00 2.68 H new ATOM 0 HD2 PRO A 62 4.535 23.860 1.424 1.00 2.40 H new ATOM 0 HD3 PRO A 62 6.223 23.478 1.702 1.00 2.40 H new ATOM 481 N GLY A 63 3.411 19.188 3.566 1.00 2.36 N ATOM 482 CA GLY A 63 2.158 18.424 3.638 1.00 2.36 C ATOM 483 C GLY A 63 1.607 17.951 2.280 1.00 1.85 C ATOM 484 O GLY A 63 0.494 17.423 2.225 1.00 1.92 O ATOM 0 H GLY A 63 4.227 18.658 3.874 1.00 2.36 H new ATOM 0 HA2 GLY A 63 2.317 17.552 4.272 1.00 2.36 H new ATOM 0 HA3 GLY A 63 1.402 19.039 4.126 1.00 2.36 H new ATOM 488 N SER A 64 2.346 18.132 1.177 1.00 1.54 N ATOM 489 CA SER A 64 1.930 17.645 -0.142 1.00 1.18 C ATOM 490 C SER A 64 2.331 16.181 -0.349 1.00 1.06 C ATOM 491 O SER A 64 3.519 15.835 -0.380 1.00 1.31 O ATOM 492 CB SER A 64 2.500 18.523 -1.248 1.00 1.20 C ATOM 493 OG SER A 64 1.837 18.236 -2.459 1.00 1.88 O ATOM 0 H SER A 64 3.243 18.617 1.175 1.00 1.54 H new ATOM 0 HA SER A 64 0.842 17.701 -0.187 1.00 1.18 H new ATOM 0 HB2 SER A 64 2.376 19.575 -0.993 1.00 1.20 H new ATOM 0 HB3 SER A 64 3.570 18.345 -1.355 1.00 1.20 H new ATOM 0 HG SER A 64 1.954 18.984 -3.081 1.00 1.88 H new ATOM 499 N GLU A 65 1.329 15.323 -0.538 1.00 1.06 N ATOM 500 CA GLU A 65 1.466 13.869 -0.667 1.00 1.20 C ATOM 501 C GLU A 65 1.016 13.433 -2.066 1.00 1.24 C ATOM 502 O GLU A 65 0.002 12.753 -2.237 1.00 1.55 O ATOM 503 CB GLU A 65 0.733 13.129 0.472 1.00 1.53 C ATOM 504 CG GLU A 65 1.148 13.627 1.859 1.00 1.46 C ATOM 505 CD GLU A 65 0.740 12.662 2.974 1.00 1.75 C ATOM 506 OE1 GLU A 65 -0.471 12.543 3.288 1.00 2.64 O ATOM 507 OE2 GLU A 65 1.655 12.107 3.627 1.00 2.25 O ATOM 0 H GLU A 65 0.360 15.632 -0.609 1.00 1.06 H new ATOM 0 HA GLU A 65 2.515 13.592 -0.561 1.00 1.20 H new ATOM 0 HB2 GLU A 65 -0.343 13.257 0.351 1.00 1.53 H new ATOM 0 HB3 GLU A 65 0.937 12.061 0.397 1.00 1.53 H new ATOM 0 HG2 GLU A 65 2.229 13.768 1.882 1.00 1.46 H new ATOM 0 HG3 GLU A 65 0.695 14.601 2.042 1.00 1.46 H new ATOM 514 N THR A 66 1.756 13.869 -3.089 1.00 1.04 N ATOM 515 CA THR A 66 1.521 13.495 -4.489 1.00 1.10 C ATOM 516 C THR A 66 2.006 12.080 -4.795 1.00 0.97 C ATOM 517 O THR A 66 1.534 11.469 -5.749 1.00 1.11 O ATOM 518 CB THR A 66 2.252 14.452 -5.443 1.00 1.09 C ATOM 519 OG1 THR A 66 3.632 14.443 -5.155 1.00 1.20 O ATOM 520 CG2 THR A 66 1.803 15.906 -5.331 1.00 1.18 C ATOM 0 H THR A 66 2.547 14.501 -2.968 1.00 1.04 H new ATOM 0 HA THR A 66 0.443 13.551 -4.639 1.00 1.10 H new ATOM 0 HB THR A 66 2.019 14.091 -6.445 1.00 1.09 H new ATOM 0 HG1 THR A 66 4.097 15.052 -5.765 1.00 1.20 H new ATOM 0 HG21 THR A 66 2.367 16.516 -6.037 1.00 1.18 H new ATOM 0 HG22 THR A 66 0.739 15.977 -5.559 1.00 1.18 H new ATOM 0 HG23 THR A 66 1.982 16.265 -4.317 1.00 1.18 H new ATOM 528 N HIS A 67 2.953 11.564 -4.012 1.00 0.77 N ATOM 529 CA HIS A 67 3.834 10.464 -4.391 1.00 0.62 C ATOM 530 C HIS A 67 4.039 9.512 -3.208 1.00 0.54 C ATOM 531 O HIS A 67 4.467 9.963 -2.141 1.00 0.62 O ATOM 532 CB HIS A 67 5.161 11.084 -4.850 1.00 0.63 C ATOM 533 CG HIS A 67 5.527 10.791 -6.268 1.00 0.81 C ATOM 534 ND1 HIS A 67 6.670 10.227 -6.779 1.00 1.02 N ATOM 535 CD2 HIS A 67 4.786 11.228 -7.318 1.00 0.94 C ATOM 536 CE1 HIS A 67 6.626 10.354 -8.116 1.00 1.22 C ATOM 537 NE2 HIS A 67 5.492 10.974 -8.504 1.00 1.16 N ATOM 0 H HIS A 67 3.132 11.911 -3.070 1.00 0.77 H new ATOM 0 HA HIS A 67 3.400 9.874 -5.198 1.00 0.62 H new ATOM 0 HB2 HIS A 67 5.107 12.165 -4.719 1.00 0.63 H new ATOM 0 HB3 HIS A 67 5.959 10.724 -4.201 1.00 0.63 H new ATOM 0 HD1 HIS A 67 7.418 9.790 -6.240 1.00 1.02 H new ATOM 0 HD2 HIS A 67 3.814 11.694 -7.252 1.00 0.94 H new ATOM 0 HE1 HIS A 67 7.395 10.006 -8.790 1.00 1.22 H new ATOM 545 N PHE A 68 3.747 8.218 -3.365 1.00 0.52 N ATOM 546 CA PHE A 68 3.572 7.325 -2.205 1.00 0.61 C ATOM 547 C PHE A 68 4.082 5.876 -2.375 1.00 0.62 C ATOM 548 O PHE A 68 3.681 5.192 -3.310 1.00 0.89 O ATOM 549 CB PHE A 68 2.075 7.377 -1.837 1.00 0.79 C ATOM 550 CG PHE A 68 1.647 6.575 -0.632 1.00 0.98 C ATOM 551 CD1 PHE A 68 2.397 6.612 0.558 1.00 1.44 C ATOM 552 CD2 PHE A 68 0.440 5.857 -0.678 1.00 2.42 C ATOM 553 CE1 PHE A 68 1.949 5.922 1.694 1.00 1.70 C ATOM 554 CE2 PHE A 68 -0.017 5.179 0.461 1.00 2.91 C ATOM 555 CZ PHE A 68 0.737 5.213 1.645 1.00 2.08 C ATOM 0 H PHE A 68 3.627 7.765 -4.271 1.00 0.52 H new ATOM 0 HA PHE A 68 4.210 7.690 -1.400 1.00 0.61 H new ATOM 0 HB2 PHE A 68 1.802 8.419 -1.668 1.00 0.79 H new ATOM 0 HB3 PHE A 68 1.501 7.033 -2.697 1.00 0.79 H new ATOM 0 HD1 PHE A 68 3.319 7.173 0.597 1.00 1.44 H new ATOM 0 HD2 PHE A 68 -0.136 5.827 -1.591 1.00 2.42 H new ATOM 0 HE1 PHE A 68 2.533 5.936 2.602 1.00 1.70 H new ATOM 0 HE2 PHE A 68 -0.947 4.632 0.428 1.00 2.91 H new ATOM 0 HZ PHE A 68 0.384 4.692 2.522 1.00 2.08 H new ATOM 565 N ARG A 69 4.916 5.344 -1.460 1.00 0.61 N ATOM 566 CA ARG A 69 5.411 3.946 -1.552 1.00 0.60 C ATOM 567 C ARG A 69 5.176 3.114 -0.287 1.00 0.60 C ATOM 568 O ARG A 69 5.297 3.607 0.834 1.00 0.71 O ATOM 569 CB ARG A 69 6.873 3.901 -2.046 1.00 0.70 C ATOM 570 CG ARG A 69 7.007 4.488 -3.468 1.00 2.13 C ATOM 571 CD ARG A 69 7.873 3.667 -4.426 1.00 1.84 C ATOM 572 NE ARG A 69 9.323 3.783 -4.161 1.00 2.71 N ATOM 573 CZ ARG A 69 10.194 2.809 -3.961 1.00 3.17 C ATOM 574 NH1 ARG A 69 9.838 1.582 -3.717 1.00 3.36 N ATOM 575 NH2 ARG A 69 11.467 3.075 -4.022 1.00 4.32 N ATOM 0 H ARG A 69 5.263 5.855 -0.649 1.00 0.61 H new ATOM 0 HA ARG A 69 4.798 3.455 -2.308 1.00 0.60 H new ATOM 0 HB2 ARG A 69 7.508 4.460 -1.359 1.00 0.70 H new ATOM 0 HB3 ARG A 69 7.228 2.871 -2.041 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.011 4.589 -3.899 1.00 2.13 H new ATOM 0 HG3 ARG A 69 7.426 5.492 -3.393 1.00 2.13 H new ATOM 0 HD2 ARG A 69 7.582 2.619 -4.357 1.00 1.84 H new ATOM 0 HD3 ARG A 69 7.672 3.987 -5.448 1.00 1.84 H new ATOM 0 HE ARG A 69 9.697 4.731 -4.129 1.00 2.71 H new ATOM 0 HH11 ARG A 69 8.849 1.337 -3.673 1.00 3.36 H new ATOM 0 HH12 ARG A 69 10.548 0.865 -3.569 1.00 3.36 H new ATOM 0 HH21 ARG A 69 11.781 4.025 -4.222 1.00 4.32 H new ATOM 0 HH22 ARG A 69 12.151 2.334 -3.870 1.00 4.32 H new ATOM 589 N VAL A 70 4.801 1.842 -0.470 1.00 0.63 N ATOM 590 CA VAL A 70 4.294 0.961 0.607 1.00 0.64 C ATOM 591 C VAL A 70 4.802 -0.478 0.483 1.00 0.64 C ATOM 592 O VAL A 70 4.894 -1.015 -0.619 1.00 0.72 O ATOM 593 CB VAL A 70 2.743 0.910 0.633 1.00 0.67 C ATOM 594 CG1 VAL A 70 2.193 0.552 2.022 1.00 0.84 C ATOM 595 CG2 VAL A 70 2.052 2.219 0.215 1.00 0.68 C ATOM 0 H VAL A 70 4.839 1.383 -1.380 1.00 0.63 H new ATOM 0 HA VAL A 70 4.673 1.401 1.529 1.00 0.64 H new ATOM 0 HB VAL A 70 2.515 0.136 -0.099 1.00 0.67 H new ATOM 0 HG11 VAL A 70 1.104 0.529 1.987 1.00 0.84 H new ATOM 0 HG12 VAL A 70 2.567 -0.427 2.320 1.00 0.84 H new ATOM 0 HG13 VAL A 70 2.517 1.300 2.746 1.00 0.84 H new ATOM 0 HG21 VAL A 70 0.971 2.091 0.263 1.00 0.68 H new ATOM 0 HG22 VAL A 70 2.353 3.021 0.890 1.00 0.68 H new ATOM 0 HG23 VAL A 70 2.342 2.474 -0.804 1.00 0.68 H new ATOM 605 N ALA A 71 5.012 -1.138 1.619 1.00 0.61 N ATOM 606 CA ALA A 71 5.098 -2.599 1.728 1.00 0.63 C ATOM 607 C ALA A 71 3.931 -3.122 2.585 1.00 0.59 C ATOM 608 O ALA A 71 3.775 -2.710 3.740 1.00 0.60 O ATOM 609 CB ALA A 71 6.467 -3.013 2.288 1.00 0.73 C ATOM 0 H ALA A 71 5.131 -0.663 2.514 1.00 0.61 H new ATOM 0 HA ALA A 71 5.011 -3.050 0.739 1.00 0.63 H new ATOM 0 HB1 ALA A 71 6.516 -4.099 2.363 1.00 0.73 H new ATOM 0 HB2 ALA A 71 7.254 -2.659 1.622 1.00 0.73 H new ATOM 0 HB3 ALA A 71 6.604 -2.574 3.276 1.00 0.73 H new ATOM 615 N VAL A 72 3.110 -4.009 2.004 1.00 0.61 N ATOM 616 CA VAL A 72 1.860 -4.527 2.594 1.00 0.60 C ATOM 617 C VAL A 72 1.813 -6.053 2.588 1.00 0.60 C ATOM 618 O VAL A 72 1.872 -6.695 1.533 1.00 0.68 O ATOM 619 CB VAL A 72 0.592 -3.985 1.889 1.00 0.63 C ATOM 620 CG1 VAL A 72 0.221 -2.607 2.427 1.00 1.66 C ATOM 621 CG2 VAL A 72 0.683 -3.887 0.358 1.00 1.77 C ATOM 0 H VAL A 72 3.301 -4.400 1.081 1.00 0.61 H new ATOM 0 HA VAL A 72 1.863 -4.169 3.624 1.00 0.60 H new ATOM 0 HB VAL A 72 -0.172 -4.728 2.116 1.00 0.63 H new ATOM 0 HG11 VAL A 72 -0.672 -2.246 1.918 1.00 1.66 H new ATOM 0 HG12 VAL A 72 0.026 -2.675 3.497 1.00 1.66 H new ATOM 0 HG13 VAL A 72 1.044 -1.914 2.251 1.00 1.66 H new ATOM 0 HG21 VAL A 72 -0.255 -3.497 -0.038 1.00 1.77 H new ATOM 0 HG22 VAL A 72 1.499 -3.218 0.084 1.00 1.77 H new ATOM 0 HG23 VAL A 72 0.870 -4.876 -0.059 1.00 1.77 H new ATOM 631 N VAL A 73 1.667 -6.664 3.764 1.00 0.57 N ATOM 632 CA VAL A 73 1.734 -8.121 3.887 1.00 0.55 C ATOM 633 C VAL A 73 0.571 -8.652 4.746 1.00 0.56 C ATOM 634 O VAL A 73 0.273 -8.119 5.815 1.00 0.59 O ATOM 635 CB VAL A 73 3.098 -8.447 4.465 1.00 0.72 C ATOM 636 CG1 VAL A 73 3.366 -9.943 4.576 1.00 0.97 C ATOM 637 CG2 VAL A 73 4.266 -7.768 3.737 1.00 1.67 C ATOM 0 H VAL A 73 1.502 -6.174 4.643 1.00 0.57 H new ATOM 0 HA VAL A 73 1.623 -8.613 2.921 1.00 0.55 H new ATOM 0 HB VAL A 73 3.050 -8.030 5.471 1.00 0.72 H new ATOM 0 HG11 VAL A 73 4.358 -10.105 4.997 1.00 0.97 H new ATOM 0 HG12 VAL A 73 2.618 -10.399 5.225 1.00 0.97 H new ATOM 0 HG13 VAL A 73 3.313 -10.397 3.586 1.00 0.97 H new ATOM 0 HG21 VAL A 73 5.205 -8.052 4.212 1.00 1.67 H new ATOM 0 HG22 VAL A 73 4.277 -8.083 2.694 1.00 1.67 H new ATOM 0 HG23 VAL A 73 4.147 -6.686 3.788 1.00 1.67 H new ATOM 647 N SER A 74 -0.127 -9.688 4.279 1.00 0.61 N ATOM 648 CA SER A 74 -1.433 -10.131 4.801 1.00 0.64 C ATOM 649 C SER A 74 -1.723 -11.586 4.418 1.00 0.72 C ATOM 650 O SER A 74 -1.324 -12.029 3.342 1.00 0.76 O ATOM 651 CB SER A 74 -2.539 -9.246 4.204 1.00 0.58 C ATOM 652 OG SER A 74 -3.823 -9.733 4.556 1.00 0.64 O ATOM 0 H SER A 74 0.205 -10.263 3.505 1.00 0.61 H new ATOM 0 HA SER A 74 -1.408 -10.051 5.888 1.00 0.64 H new ATOM 0 HB2 SER A 74 -2.424 -8.223 4.561 1.00 0.58 H new ATOM 0 HB3 SER A 74 -2.441 -9.218 3.119 1.00 0.58 H new ATOM 0 HG SER A 74 -4.064 -9.405 5.447 1.00 0.64 H new ATOM 658 N SER A 75 -2.466 -12.325 5.252 1.00 0.80 N ATOM 659 CA SER A 75 -2.969 -13.662 4.891 1.00 0.89 C ATOM 660 C SER A 75 -4.026 -13.630 3.774 1.00 0.90 C ATOM 661 O SER A 75 -4.374 -14.680 3.239 1.00 1.09 O ATOM 662 CB SER A 75 -3.504 -14.399 6.127 1.00 0.98 C ATOM 663 OG SER A 75 -4.631 -13.740 6.677 1.00 1.92 O ATOM 0 H SER A 75 -2.735 -12.019 6.187 1.00 0.80 H new ATOM 0 HA SER A 75 -2.116 -14.212 4.493 1.00 0.89 H new ATOM 0 HB2 SER A 75 -3.775 -15.419 5.855 1.00 0.98 H new ATOM 0 HB3 SER A 75 -2.718 -14.468 6.879 1.00 0.98 H new ATOM 0 HG SER A 75 -4.949 -14.235 7.461 1.00 1.92 H new ATOM 669 N ARG A 76 -4.518 -12.447 3.371 1.00 0.79 N ATOM 670 CA ARG A 76 -5.477 -12.276 2.266 1.00 0.83 C ATOM 671 C ARG A 76 -4.856 -12.447 0.873 1.00 0.80 C ATOM 672 O ARG A 76 -5.577 -12.688 -0.091 1.00 0.91 O ATOM 673 CB ARG A 76 -6.137 -10.884 2.392 1.00 0.90 C ATOM 674 CG ARG A 76 -7.562 -10.826 1.815 1.00 1.73 C ATOM 675 CD ARG A 76 -8.592 -11.120 2.911 1.00 1.56 C ATOM 676 NE ARG A 76 -9.928 -11.369 2.354 1.00 2.62 N ATOM 677 CZ ARG A 76 -11.027 -11.652 3.025 1.00 3.00 C ATOM 678 NH1 ARG A 76 -11.098 -11.616 4.325 1.00 2.89 N ATOM 679 NH2 ARG A 76 -12.081 -12.001 2.361 1.00 4.21 N ATOM 0 H ARG A 76 -4.256 -11.566 3.812 1.00 0.79 H new ATOM 0 HA ARG A 76 -6.219 -13.070 2.356 1.00 0.83 H new ATOM 0 HB2 ARG A 76 -6.167 -10.599 3.444 1.00 0.90 H new ATOM 0 HB3 ARG A 76 -5.516 -10.149 1.880 1.00 0.90 H new ATOM 0 HG2 ARG A 76 -7.748 -9.841 1.386 1.00 1.73 H new ATOM 0 HG3 ARG A 76 -7.664 -11.550 1.007 1.00 1.73 H new ATOM 0 HD2 ARG A 76 -8.271 -11.988 3.487 1.00 1.56 H new ATOM 0 HD3 ARG A 76 -8.638 -10.278 3.602 1.00 1.56 H new ATOM 0 HE ARG A 76 -10.015 -11.317 1.339 1.00 2.62 H new ATOM 0 HH11 ARG A 76 -10.277 -11.359 4.874 1.00 2.89 H new ATOM 0 HH12 ARG A 76 -11.974 -11.844 4.794 1.00 2.89 H new ATOM 0 HH21 ARG A 76 -12.049 -12.052 1.343 1.00 4.21 H new ATOM 0 HH22 ARG A 76 -12.944 -12.225 2.856 1.00 4.21 H new ATOM 693 N PHE A 77 -3.534 -12.312 0.735 1.00 0.73 N ATOM 694 CA PHE A 77 -2.827 -12.273 -0.549 1.00 0.75 C ATOM 695 C PHE A 77 -2.335 -13.667 -1.003 1.00 0.78 C ATOM 696 O PHE A 77 -1.304 -13.792 -1.665 1.00 1.04 O ATOM 697 CB PHE A 77 -1.706 -11.221 -0.447 1.00 0.70 C ATOM 698 CG PHE A 77 -2.092 -9.783 -0.097 1.00 0.69 C ATOM 699 CD1 PHE A 77 -1.084 -8.894 0.323 1.00 1.68 C ATOM 700 CD2 PHE A 77 -3.415 -9.304 -0.200 1.00 1.38 C ATOM 701 CE1 PHE A 77 -1.390 -7.568 0.676 1.00 1.71 C ATOM 702 CE2 PHE A 77 -3.723 -7.975 0.145 1.00 1.45 C ATOM 703 CZ PHE A 77 -2.714 -7.109 0.595 1.00 0.88 C ATOM 0 H PHE A 77 -2.908 -12.224 1.536 1.00 0.73 H new ATOM 0 HA PHE A 77 -3.515 -11.974 -1.340 1.00 0.75 H new ATOM 0 HB2 PHE A 77 -0.993 -11.566 0.302 1.00 0.70 H new ATOM 0 HB3 PHE A 77 -1.180 -11.201 -1.402 1.00 0.70 H new ATOM 0 HD1 PHE A 77 -0.061 -9.236 0.375 1.00 1.68 H new ATOM 0 HD2 PHE A 77 -4.198 -9.963 -0.546 1.00 1.38 H new ATOM 0 HE1 PHE A 77 -0.607 -6.903 1.009 1.00 1.71 H new ATOM 0 HE2 PHE A 77 -4.740 -7.620 0.063 1.00 1.45 H new ATOM 0 HZ PHE A 77 -2.955 -6.095 0.877 1.00 0.88 H new ATOM 713 N GLU A 78 -3.031 -14.730 -0.594 1.00 0.79 N ATOM 714 CA GLU A 78 -2.667 -16.123 -0.873 1.00 0.86 C ATOM 715 C GLU A 78 -3.140 -16.652 -2.235 1.00 1.02 C ATOM 716 O GLU A 78 -4.319 -16.551 -2.572 1.00 1.26 O ATOM 717 CB GLU A 78 -3.219 -17.040 0.229 1.00 1.29 C ATOM 718 CG GLU A 78 -2.445 -16.897 1.539 1.00 1.81 C ATOM 719 CD GLU A 78 -2.908 -17.890 2.617 1.00 1.70 C ATOM 720 OE1 GLU A 78 -4.077 -18.350 2.591 1.00 2.39 O ATOM 721 OE2 GLU A 78 -2.110 -18.225 3.525 1.00 2.12 O ATOM 0 H GLU A 78 -3.886 -14.645 -0.045 1.00 0.79 H new ATOM 0 HA GLU A 78 -1.577 -16.133 -0.898 1.00 0.86 H new ATOM 0 HB2 GLU A 78 -4.269 -16.806 0.402 1.00 1.29 H new ATOM 0 HB3 GLU A 78 -3.174 -18.076 -0.106 1.00 1.29 H new ATOM 0 HG2 GLU A 78 -1.383 -17.047 1.346 1.00 1.81 H new ATOM 0 HG3 GLU A 78 -2.561 -15.880 1.915 1.00 1.81 H new ATOM 728 N GLY A 79 -2.264 -17.355 -2.956 1.00 1.23 N ATOM 729 CA GLY A 79 -2.618 -18.360 -3.965 1.00 1.58 C ATOM 730 C GLY A 79 -2.960 -17.798 -5.349 1.00 1.40 C ATOM 731 O GLY A 79 -2.563 -18.364 -6.372 1.00 2.39 O ATOM 0 H GLY A 79 -1.256 -17.238 -2.852 1.00 1.23 H new ATOM 0 HA2 GLY A 79 -1.787 -19.057 -4.068 1.00 1.58 H new ATOM 0 HA3 GLY A 79 -3.471 -18.933 -3.601 1.00 1.58 H new ATOM 735 N LEU A 80 -3.551 -16.606 -5.391 1.00 0.84 N ATOM 736 CA LEU A 80 -3.630 -15.742 -6.565 1.00 0.90 C ATOM 737 C LEU A 80 -2.238 -15.365 -7.125 1.00 0.85 C ATOM 738 O LEU A 80 -1.226 -15.458 -6.428 1.00 0.91 O ATOM 739 CB LEU A 80 -4.498 -14.518 -6.209 1.00 1.15 C ATOM 740 CG LEU A 80 -4.255 -13.795 -4.891 1.00 0.99 C ATOM 741 CD1 LEU A 80 -2.796 -13.449 -4.596 1.00 1.73 C ATOM 742 CD2 LEU A 80 -5.103 -12.529 -4.805 1.00 1.45 C ATOM 0 H LEU A 80 -4.007 -16.200 -4.574 1.00 0.84 H new ATOM 0 HA LEU A 80 -4.105 -16.283 -7.383 1.00 0.90 H new ATOM 0 HB2 LEU A 80 -4.381 -13.788 -7.010 1.00 1.15 H new ATOM 0 HB3 LEU A 80 -5.539 -14.840 -6.220 1.00 1.15 H new ATOM 0 HG LEU A 80 -4.552 -14.515 -4.128 1.00 0.99 H new ATOM 0 HD11 LEU A 80 -2.730 -12.937 -3.636 1.00 1.73 H new ATOM 0 HD12 LEU A 80 -2.205 -14.364 -4.560 1.00 1.73 H new ATOM 0 HD13 LEU A 80 -2.410 -12.799 -5.381 1.00 1.73 H new ATOM 0 HD21 LEU A 80 -4.914 -12.028 -3.856 1.00 1.45 H new ATOM 0 HD22 LEU A 80 -4.843 -11.861 -5.626 1.00 1.45 H new ATOM 0 HD23 LEU A 80 -6.158 -12.793 -4.872 1.00 1.45 H new ATOM 754 N SER A 81 -2.163 -14.936 -8.387 1.00 0.86 N ATOM 755 CA SER A 81 -0.930 -14.389 -8.980 1.00 0.92 C ATOM 756 C SER A 81 -0.554 -13.031 -8.342 1.00 0.92 C ATOM 757 O SER A 81 -1.456 -12.274 -7.970 1.00 0.88 O ATOM 758 CB SER A 81 -1.074 -14.315 -10.513 1.00 1.00 C ATOM 759 OG SER A 81 -0.644 -13.092 -11.082 1.00 1.77 O ATOM 0 H SER A 81 -2.954 -14.956 -9.031 1.00 0.86 H new ATOM 0 HA SER A 81 -0.099 -15.060 -8.763 1.00 0.92 H new ATOM 0 HB2 SER A 81 -0.504 -15.130 -10.959 1.00 1.00 H new ATOM 0 HB3 SER A 81 -2.119 -14.476 -10.776 1.00 1.00 H new ATOM 0 HG SER A 81 -0.765 -13.123 -12.054 1.00 1.77 H new ATOM 765 N PRO A 82 0.741 -12.674 -8.215 1.00 1.06 N ATOM 766 CA PRO A 82 1.157 -11.359 -7.713 1.00 1.12 C ATOM 767 C PRO A 82 0.577 -10.188 -8.527 1.00 1.04 C ATOM 768 O PRO A 82 0.041 -9.237 -7.949 1.00 1.00 O ATOM 769 CB PRO A 82 2.693 -11.377 -7.741 1.00 1.35 C ATOM 770 CG PRO A 82 3.037 -12.860 -7.631 1.00 1.45 C ATOM 771 CD PRO A 82 1.903 -13.533 -8.404 1.00 1.24 C ATOM 0 HA PRO A 82 0.773 -11.193 -6.707 1.00 1.12 H new ATOM 0 HB2 PRO A 82 3.082 -10.942 -8.662 1.00 1.35 H new ATOM 0 HB3 PRO A 82 3.116 -10.805 -6.915 1.00 1.35 H new ATOM 0 HG2 PRO A 82 4.011 -13.082 -8.068 1.00 1.45 H new ATOM 0 HG3 PRO A 82 3.070 -13.191 -6.593 1.00 1.45 H new ATOM 0 HD2 PRO A 82 2.152 -13.630 -9.461 1.00 1.24 H new ATOM 0 HD3 PRO A 82 1.714 -14.538 -8.027 1.00 1.24 H new ATOM 779 N LEU A 83 0.598 -10.290 -9.864 1.00 1.07 N ATOM 780 CA LEU A 83 -0.007 -9.315 -10.780 1.00 1.05 C ATOM 781 C LEU A 83 -1.539 -9.273 -10.645 1.00 0.95 C ATOM 782 O LEU A 83 -2.112 -8.188 -10.563 1.00 0.94 O ATOM 783 CB LEU A 83 0.434 -9.650 -12.218 1.00 1.21 C ATOM 784 CG LEU A 83 -0.175 -8.749 -13.311 1.00 2.04 C ATOM 785 CD1 LEU A 83 0.212 -7.278 -13.146 1.00 3.05 C ATOM 786 CD2 LEU A 83 0.303 -9.220 -14.684 1.00 2.50 C ATOM 0 H LEU A 83 1.045 -11.069 -10.347 1.00 1.07 H new ATOM 0 HA LEU A 83 0.341 -8.315 -10.521 1.00 1.05 H new ATOM 0 HB2 LEU A 83 1.520 -9.581 -12.275 1.00 1.21 H new ATOM 0 HB3 LEU A 83 0.169 -10.685 -12.432 1.00 1.21 H new ATOM 0 HG LEU A 83 -1.258 -8.827 -13.219 1.00 2.04 H new ATOM 0 HD11 LEU A 83 -0.244 -6.690 -13.942 1.00 3.05 H new ATOM 0 HD12 LEU A 83 -0.140 -6.915 -12.180 1.00 3.05 H new ATOM 0 HD13 LEU A 83 1.296 -7.179 -13.198 1.00 3.05 H new ATOM 0 HD21 LEU A 83 -0.127 -8.583 -15.457 1.00 2.50 H new ATOM 0 HD22 LEU A 83 1.390 -9.162 -14.730 1.00 2.50 H new ATOM 0 HD23 LEU A 83 -0.013 -10.251 -14.845 1.00 2.50 H new ATOM 798 N GLN A 84 -2.189 -10.438 -10.557 1.00 0.93 N ATOM 799 CA GLN A 84 -3.635 -10.580 -10.311 1.00 0.91 C ATOM 800 C GLN A 84 -4.048 -9.848 -9.021 1.00 0.92 C ATOM 801 O GLN A 84 -4.970 -9.036 -9.032 1.00 1.00 O ATOM 802 CB GLN A 84 -3.939 -12.091 -10.285 1.00 0.87 C ATOM 803 CG GLN A 84 -5.315 -12.559 -9.779 1.00 0.82 C ATOM 804 CD GLN A 84 -5.384 -14.088 -9.676 1.00 1.02 C ATOM 805 OE1 GLN A 84 -4.505 -14.820 -10.112 1.00 1.73 O ATOM 806 NE2 GLN A 84 -6.379 -14.660 -9.044 1.00 1.04 N ATOM 0 H GLN A 84 -1.714 -11.335 -10.657 1.00 0.93 H new ATOM 0 HA GLN A 84 -4.226 -10.112 -11.099 1.00 0.91 H new ATOM 0 HB2 GLN A 84 -3.813 -12.471 -11.299 1.00 0.87 H new ATOM 0 HB3 GLN A 84 -3.179 -12.571 -9.668 1.00 0.87 H new ATOM 0 HG2 GLN A 84 -5.514 -12.118 -8.802 1.00 0.82 H new ATOM 0 HG3 GLN A 84 -6.093 -12.203 -10.454 1.00 0.82 H new ATOM 0 HE21 GLN A 84 -7.135 -14.092 -8.663 1.00 1.04 H new ATOM 0 HE22 GLN A 84 -6.397 -15.674 -8.933 1.00 1.04 H new ATOM 815 N ARG A 85 -3.303 -10.054 -7.928 1.00 0.88 N ATOM 816 CA ARG A 85 -3.431 -9.350 -6.638 1.00 0.87 C ATOM 817 C ARG A 85 -3.297 -7.826 -6.774 1.00 0.89 C ATOM 818 O ARG A 85 -4.074 -7.056 -6.199 1.00 0.92 O ATOM 819 CB ARG A 85 -2.371 -9.967 -5.692 1.00 0.96 C ATOM 820 CG ARG A 85 -1.727 -9.031 -4.669 1.00 1.66 C ATOM 821 CD ARG A 85 -2.771 -8.595 -3.633 1.00 3.14 C ATOM 822 NE ARG A 85 -2.256 -7.590 -2.695 1.00 4.48 N ATOM 823 CZ ARG A 85 -2.034 -6.319 -2.956 1.00 6.21 C ATOM 824 NH1 ARG A 85 -2.279 -5.787 -4.122 1.00 7.16 N ATOM 825 NH2 ARG A 85 -1.561 -5.551 -2.022 1.00 7.52 N ATOM 0 H ARG A 85 -2.557 -10.749 -7.915 1.00 0.88 H new ATOM 0 HA ARG A 85 -4.431 -9.486 -6.227 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.837 -10.791 -5.151 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.578 -10.396 -6.305 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -0.898 -9.535 -4.173 1.00 1.66 H new ATOM 0 HG3 ARG A 85 -1.314 -8.157 -5.172 1.00 1.66 H new ATOM 0 HD2 ARG A 85 -3.642 -8.191 -4.149 1.00 3.14 H new ATOM 0 HD3 ARG A 85 -3.108 -9.468 -3.074 1.00 3.14 H new ATOM 0 HE ARG A 85 -2.050 -7.908 -1.748 1.00 4.48 H new ATOM 0 HH11 ARG A 85 -2.658 -6.361 -4.875 1.00 7.16 H new ATOM 0 HH12 ARG A 85 -2.092 -4.797 -4.280 1.00 7.16 H new ATOM 0 HH21 ARG A 85 -1.365 -5.934 -1.097 1.00 7.52 H new ATOM 0 HH22 ARG A 85 -1.385 -4.565 -2.213 1.00 7.52 H new ATOM 839 N HIS A 86 -2.245 -7.371 -7.440 1.00 0.86 N ATOM 840 CA HIS A 86 -1.962 -5.960 -7.681 1.00 0.83 C ATOM 841 C HIS A 86 -3.115 -5.313 -8.459 1.00 0.88 C ATOM 842 O HIS A 86 -3.762 -4.415 -7.921 1.00 0.92 O ATOM 843 CB HIS A 86 -0.599 -5.890 -8.378 1.00 0.85 C ATOM 844 CG HIS A 86 0.565 -5.605 -7.467 1.00 0.87 C ATOM 845 ND1 HIS A 86 1.652 -4.816 -7.763 1.00 0.86 N ATOM 846 CD2 HIS A 86 0.818 -6.209 -6.265 1.00 1.06 C ATOM 847 CE1 HIS A 86 2.536 -4.937 -6.757 1.00 0.90 C ATOM 848 NE2 HIS A 86 2.068 -5.780 -5.813 1.00 1.03 N ATOM 0 H HIS A 86 -1.542 -7.992 -7.841 1.00 0.86 H new ATOM 0 HA HIS A 86 -1.897 -5.382 -6.759 1.00 0.83 H new ATOM 0 HB2 HIS A 86 -0.419 -6.836 -8.888 1.00 0.85 H new ATOM 0 HB3 HIS A 86 -0.639 -5.117 -9.145 1.00 0.85 H new ATOM 0 HD2 HIS A 86 0.163 -6.899 -5.754 1.00 1.06 H new ATOM 0 HE1 HIS A 86 3.488 -4.430 -6.711 1.00 0.90 H new ATOM 0 HE2 HIS A 86 2.533 -6.049 -4.946 1.00 1.03 H new ATOM 856 N ARG A 87 -3.474 -5.852 -9.633 1.00 0.96 N ATOM 857 CA ARG A 87 -4.610 -5.399 -10.454 1.00 1.07 C ATOM 858 C ARG A 87 -5.915 -5.335 -9.647 1.00 1.11 C ATOM 859 O ARG A 87 -6.572 -4.296 -9.669 1.00 1.17 O ATOM 860 CB ARG A 87 -4.724 -6.329 -11.678 1.00 1.16 C ATOM 861 CG ARG A 87 -5.661 -5.832 -12.794 1.00 2.02 C ATOM 862 CD ARG A 87 -5.009 -4.868 -13.800 1.00 2.37 C ATOM 863 NE ARG A 87 -4.872 -3.488 -13.300 1.00 3.49 N ATOM 864 CZ ARG A 87 -5.808 -2.558 -13.223 1.00 4.59 C ATOM 865 NH1 ARG A 87 -7.051 -2.745 -13.575 1.00 5.02 N ATOM 866 NH2 ARG A 87 -5.457 -1.389 -12.780 1.00 5.99 N ATOM 0 H ARG A 87 -2.971 -6.635 -10.050 1.00 0.96 H new ATOM 0 HA ARG A 87 -4.431 -4.379 -10.793 1.00 1.07 H new ATOM 0 HB2 ARG A 87 -3.729 -6.473 -12.099 1.00 1.16 H new ATOM 0 HB3 ARG A 87 -5.072 -7.305 -11.341 1.00 1.16 H new ATOM 0 HG2 ARG A 87 -6.047 -6.695 -13.337 1.00 2.02 H new ATOM 0 HG3 ARG A 87 -6.516 -5.334 -12.337 1.00 2.02 H new ATOM 0 HD2 ARG A 87 -4.022 -5.248 -14.066 1.00 2.37 H new ATOM 0 HD3 ARG A 87 -5.603 -4.856 -14.714 1.00 2.37 H new ATOM 0 HE ARG A 87 -3.944 -3.219 -12.974 1.00 3.49 H new ATOM 0 HH11 ARG A 87 -7.348 -3.652 -13.935 1.00 5.02 H new ATOM 0 HH12 ARG A 87 -7.725 -1.984 -13.490 1.00 5.02 H new ATOM 0 HH21 ARG A 87 -4.489 -1.216 -12.507 1.00 5.99 H new ATOM 0 HH22 ARG A 87 -6.149 -0.643 -12.705 1.00 5.99 H new ATOM 880 N LEU A 88 -6.222 -6.377 -8.861 1.00 1.13 N ATOM 881 CA LEU A 88 -7.379 -6.439 -7.953 1.00 1.22 C ATOM 882 C LEU A 88 -7.403 -5.238 -6.999 1.00 1.19 C ATOM 883 O LEU A 88 -8.320 -4.425 -7.063 1.00 1.30 O ATOM 884 CB LEU A 88 -7.353 -7.782 -7.187 1.00 1.28 C ATOM 885 CG LEU A 88 -8.646 -8.229 -6.474 1.00 1.66 C ATOM 886 CD1 LEU A 88 -8.386 -9.568 -5.779 1.00 2.10 C ATOM 887 CD2 LEU A 88 -9.151 -7.268 -5.397 1.00 2.46 C ATOM 0 H LEU A 88 -5.656 -7.225 -8.838 1.00 1.13 H new ATOM 0 HA LEU A 88 -8.298 -6.388 -8.537 1.00 1.22 H new ATOM 0 HB2 LEU A 88 -7.072 -8.564 -7.892 1.00 1.28 H new ATOM 0 HB3 LEU A 88 -6.561 -7.726 -6.440 1.00 1.28 H new ATOM 0 HG LEU A 88 -9.406 -8.278 -7.254 1.00 1.66 H new ATOM 0 HD11 LEU A 88 -9.293 -9.896 -5.270 1.00 2.10 H new ATOM 0 HD12 LEU A 88 -8.096 -10.313 -6.520 1.00 2.10 H new ATOM 0 HD13 LEU A 88 -7.584 -9.450 -5.051 1.00 2.10 H new ATOM 0 HD21 LEU A 88 -10.063 -7.666 -4.953 1.00 2.46 H new ATOM 0 HD22 LEU A 88 -8.390 -7.155 -4.625 1.00 2.46 H new ATOM 0 HD23 LEU A 88 -9.360 -6.297 -5.845 1.00 2.46 H new ATOM 899 N VAL A 89 -6.393 -5.085 -6.134 1.00 1.13 N ATOM 900 CA VAL A 89 -6.441 -4.038 -5.084 1.00 1.30 C ATOM 901 C VAL A 89 -6.332 -2.619 -5.666 1.00 1.18 C ATOM 902 O VAL A 89 -6.915 -1.680 -5.139 1.00 1.25 O ATOM 903 CB VAL A 89 -5.375 -4.275 -3.997 1.00 1.65 C ATOM 904 CG1 VAL A 89 -5.460 -3.276 -2.834 1.00 2.12 C ATOM 905 CG2 VAL A 89 -5.527 -5.665 -3.370 1.00 1.94 C ATOM 0 H VAL A 89 -5.547 -5.654 -6.131 1.00 1.13 H new ATOM 0 HA VAL A 89 -7.422 -4.116 -4.614 1.00 1.30 H new ATOM 0 HB VAL A 89 -4.423 -4.160 -4.516 1.00 1.65 H new ATOM 0 HG11 VAL A 89 -4.682 -3.500 -2.105 1.00 2.12 H new ATOM 0 HG12 VAL A 89 -5.322 -2.263 -3.213 1.00 2.12 H new ATOM 0 HG13 VAL A 89 -6.437 -3.355 -2.357 1.00 2.12 H new ATOM 0 HG21 VAL A 89 -4.762 -5.805 -2.606 1.00 1.94 H new ATOM 0 HG22 VAL A 89 -6.514 -5.753 -2.916 1.00 1.94 H new ATOM 0 HG23 VAL A 89 -5.413 -6.427 -4.142 1.00 1.94 H new ATOM 915 N HIS A 90 -5.630 -2.455 -6.778 1.00 1.14 N ATOM 916 CA HIS A 90 -5.452 -1.188 -7.495 1.00 1.27 C ATOM 917 C HIS A 90 -6.743 -0.738 -8.186 1.00 1.33 C ATOM 918 O HIS A 90 -7.016 0.461 -8.215 1.00 1.51 O ATOM 919 CB HIS A 90 -4.341 -1.308 -8.551 1.00 1.36 C ATOM 920 CG HIS A 90 -2.930 -1.474 -8.039 1.00 1.43 C ATOM 921 ND1 HIS A 90 -1.796 -1.245 -8.785 1.00 1.72 N ATOM 922 CD2 HIS A 90 -2.518 -1.970 -6.830 1.00 1.40 C ATOM 923 CE1 HIS A 90 -0.734 -1.625 -8.062 1.00 1.67 C ATOM 924 NE2 HIS A 90 -1.121 -2.043 -6.847 1.00 1.53 N ATOM 0 H HIS A 90 -5.146 -3.231 -7.229 1.00 1.14 H new ATOM 0 HA HIS A 90 -5.174 -0.443 -6.749 1.00 1.27 H new ATOM 0 HB2 HIS A 90 -4.572 -2.159 -9.192 1.00 1.36 H new ATOM 0 HB3 HIS A 90 -4.372 -0.418 -9.179 1.00 1.36 H new ATOM 0 HD1 HIS A 90 -1.769 -0.853 -9.726 1.00 1.72 H new ATOM 0 HD2 HIS A 90 -3.159 -2.255 -6.009 1.00 1.40 H new ATOM 0 HE1 HIS A 90 0.289 -1.599 -8.408 1.00 1.67 H new ATOM 932 N ALA A 91 -7.541 -1.672 -8.720 1.00 1.27 N ATOM 933 CA ALA A 91 -8.844 -1.381 -9.313 1.00 1.40 C ATOM 934 C ALA A 91 -9.951 -1.252 -8.254 1.00 1.45 C ATOM 935 O ALA A 91 -10.726 -0.293 -8.294 1.00 1.61 O ATOM 936 CB ALA A 91 -9.169 -2.474 -10.336 1.00 1.52 C ATOM 0 H ALA A 91 -7.293 -2.661 -8.751 1.00 1.27 H new ATOM 0 HA ALA A 91 -8.797 -0.413 -9.812 1.00 1.40 H new ATOM 0 HB1 ALA A 91 -10.140 -2.272 -10.789 1.00 1.52 H new ATOM 0 HB2 ALA A 91 -8.403 -2.486 -11.111 1.00 1.52 H new ATOM 0 HB3 ALA A 91 -9.196 -3.443 -9.837 1.00 1.52 H new ATOM 942 N ALA A 92 -10.005 -2.176 -7.285 1.00 1.38 N ATOM 943 CA ALA A 92 -10.988 -2.163 -6.203 1.00 1.47 C ATOM 944 C ALA A 92 -10.793 -0.968 -5.275 1.00 1.57 C ATOM 945 O ALA A 92 -11.753 -0.254 -4.962 1.00 1.85 O ATOM 946 CB ALA A 92 -10.869 -3.452 -5.370 1.00 1.47 C ATOM 0 H ALA A 92 -9.357 -2.962 -7.234 1.00 1.38 H new ATOM 0 HA ALA A 92 -11.974 -2.092 -6.663 1.00 1.47 H new ATOM 0 HB1 ALA A 92 -11.605 -3.435 -4.566 1.00 1.47 H new ATOM 0 HB2 ALA A 92 -11.050 -4.316 -6.009 1.00 1.47 H new ATOM 0 HB3 ALA A 92 -9.868 -3.519 -4.944 1.00 1.47 H new ATOM 952 N LEU A 93 -9.552 -0.748 -4.826 1.00 1.40 N ATOM 953 CA LEU A 93 -9.304 0.133 -3.675 1.00 1.37 C ATOM 954 C LEU A 93 -8.545 1.400 -4.010 1.00 1.17 C ATOM 955 O LEU A 93 -7.936 2.033 -3.155 1.00 1.05 O ATOM 956 CB LEU A 93 -8.654 -0.643 -2.547 1.00 1.52 C ATOM 957 CG LEU A 93 -9.570 -1.703 -1.918 1.00 1.91 C ATOM 958 CD1 LEU A 93 -8.983 -1.881 -0.544 1.00 1.40 C ATOM 959 CD2 LEU A 93 -11.041 -1.332 -1.707 1.00 3.50 C ATOM 0 H LEU A 93 -8.713 -1.161 -5.234 1.00 1.40 H new ATOM 0 HA LEU A 93 -10.280 0.485 -3.342 1.00 1.37 H new ATOM 0 HB2 LEU A 93 -7.755 -1.130 -2.924 1.00 1.52 H new ATOM 0 HB3 LEU A 93 -8.337 0.056 -1.773 1.00 1.52 H new ATOM 0 HG LEU A 93 -9.598 -2.559 -2.592 1.00 1.91 H new ATOM 0 HD11 LEU A 93 -9.561 -2.624 0.005 1.00 1.40 H new ATOM 0 HD12 LEU A 93 -7.950 -2.217 -0.631 1.00 1.40 H new ATOM 0 HD13 LEU A 93 -9.012 -0.931 -0.010 1.00 1.40 H new ATOM 0 HD21 LEU A 93 -11.567 -2.173 -1.256 1.00 3.50 H new ATOM 0 HD22 LEU A 93 -11.107 -0.467 -1.047 1.00 3.50 H new ATOM 0 HD23 LEU A 93 -11.497 -1.091 -2.667 1.00 3.50 H new ATOM 971 N ALA A 94 -8.632 1.776 -5.268 1.00 1.25 N ATOM 972 CA ALA A 94 -8.005 2.968 -5.823 1.00 1.20 C ATOM 973 C ALA A 94 -8.152 4.229 -4.962 1.00 1.10 C ATOM 974 O ALA A 94 -7.180 4.975 -4.818 1.00 0.99 O ATOM 975 CB ALA A 94 -8.594 3.218 -7.216 1.00 1.62 C ATOM 0 H ALA A 94 -9.159 1.245 -5.961 1.00 1.25 H new ATOM 0 HA ALA A 94 -6.934 2.772 -5.863 1.00 1.20 H new ATOM 0 HB1 ALA A 94 -8.137 4.108 -7.650 1.00 1.62 H new ATOM 0 HB2 ALA A 94 -8.393 2.358 -7.855 1.00 1.62 H new ATOM 0 HB3 ALA A 94 -9.671 3.366 -7.135 1.00 1.62 H new ATOM 981 N GLU A 95 -9.317 4.443 -4.345 1.00 1.28 N ATOM 982 CA GLU A 95 -9.576 5.602 -3.493 1.00 1.39 C ATOM 983 C GLU A 95 -8.928 5.481 -2.104 1.00 1.38 C ATOM 984 O GLU A 95 -8.646 6.496 -1.466 1.00 1.56 O ATOM 985 CB GLU A 95 -11.093 5.839 -3.375 1.00 1.77 C ATOM 986 CG GLU A 95 -11.749 6.141 -4.731 1.00 1.87 C ATOM 987 CD GLU A 95 -13.246 6.426 -4.579 1.00 2.64 C ATOM 988 OE1 GLU A 95 -13.623 7.611 -4.410 1.00 3.54 O ATOM 989 OE2 GLU A 95 -14.066 5.477 -4.648 1.00 3.44 O ATOM 0 H GLU A 95 -10.113 3.810 -4.425 1.00 1.28 H new ATOM 0 HA GLU A 95 -9.111 6.465 -3.970 1.00 1.39 H new ATOM 0 HB2 GLU A 95 -11.562 4.958 -2.936 1.00 1.77 H new ATOM 0 HB3 GLU A 95 -11.276 6.670 -2.694 1.00 1.77 H new ATOM 0 HG2 GLU A 95 -11.259 6.999 -5.190 1.00 1.87 H new ATOM 0 HG3 GLU A 95 -11.605 5.295 -5.403 1.00 1.87 H new ATOM 996 N GLU A 96 -8.675 4.263 -1.614 1.00 1.30 N ATOM 997 CA GLU A 96 -8.122 3.954 -0.323 1.00 1.39 C ATOM 998 C GLU A 96 -6.586 3.925 -0.367 1.00 1.23 C ATOM 999 O GLU A 96 -5.906 4.448 0.517 1.00 1.51 O ATOM 1000 CB GLU A 96 -8.703 2.590 0.040 1.00 1.47 C ATOM 1001 CG GLU A 96 -10.239 2.510 -0.049 1.00 1.63 C ATOM 1002 CD GLU A 96 -10.940 1.623 0.997 1.00 1.75 C ATOM 1003 OE1 GLU A 96 -12.069 1.142 0.725 1.00 1.80 O ATOM 1004 OE2 GLU A 96 -10.471 1.528 2.155 1.00 3.00 O ATOM 0 H GLU A 96 -8.870 3.422 -2.157 1.00 1.30 H new ATOM 0 HA GLU A 96 -8.375 4.709 0.422 1.00 1.39 H new ATOM 0 HB2 GLU A 96 -8.273 1.838 -0.621 1.00 1.47 H new ATOM 0 HB3 GLU A 96 -8.396 2.336 1.055 1.00 1.47 H new ATOM 0 HG2 GLU A 96 -10.639 3.520 0.036 1.00 1.63 H new ATOM 0 HG3 GLU A 96 -10.505 2.144 -1.041 1.00 1.63 H new ATOM 1011 N LEU A 97 -6.054 3.333 -1.441 1.00 0.90 N ATOM 1012 CA LEU A 97 -4.648 3.253 -1.801 1.00 0.93 C ATOM 1013 C LEU A 97 -4.063 4.595 -2.250 1.00 0.98 C ATOM 1014 O LEU A 97 -2.998 4.996 -1.787 1.00 1.23 O ATOM 1015 CB LEU A 97 -4.571 2.247 -2.968 1.00 1.14 C ATOM 1016 CG LEU A 97 -3.550 1.113 -2.809 1.00 1.40 C ATOM 1017 CD1 LEU A 97 -3.648 0.158 -4.001 1.00 3.00 C ATOM 1018 CD2 LEU A 97 -2.114 1.622 -2.730 1.00 2.09 C ATOM 0 H LEU A 97 -6.645 2.865 -2.128 1.00 0.90 H new ATOM 0 HA LEU A 97 -4.067 2.950 -0.930 1.00 0.93 H new ATOM 0 HB2 LEU A 97 -5.558 1.805 -3.107 1.00 1.14 H new ATOM 0 HB3 LEU A 97 -4.337 2.796 -3.880 1.00 1.14 H new ATOM 0 HG LEU A 97 -3.789 0.607 -1.873 1.00 1.40 H new ATOM 0 HD11 LEU A 97 -2.921 -0.646 -3.884 1.00 3.00 H new ATOM 0 HD12 LEU A 97 -4.652 -0.264 -4.047 1.00 3.00 H new ATOM 0 HD13 LEU A 97 -3.441 0.703 -4.922 1.00 3.00 H new ATOM 0 HD21 LEU A 97 -1.434 0.777 -2.618 1.00 2.09 H new ATOM 0 HD22 LEU A 97 -1.870 2.166 -3.643 1.00 2.09 H new ATOM 0 HD23 LEU A 97 -2.010 2.287 -1.873 1.00 2.09 H new ATOM 1030 N GLY A 98 -4.751 5.262 -3.185 1.00 1.03 N ATOM 1031 CA GLY A 98 -4.144 6.281 -4.056 1.00 1.37 C ATOM 1032 C GLY A 98 -5.096 7.405 -4.441 1.00 1.33 C ATOM 1033 O GLY A 98 -4.844 8.159 -5.378 1.00 1.79 O ATOM 0 H GLY A 98 -5.744 5.112 -3.360 1.00 1.03 H new ATOM 0 HA2 GLY A 98 -3.278 6.708 -3.551 1.00 1.37 H new ATOM 0 HA3 GLY A 98 -3.779 5.800 -4.963 1.00 1.37 H new ATOM 1037 N GLY A 99 -6.199 7.499 -3.710 1.00 1.19 N ATOM 1038 CA GLY A 99 -7.340 8.371 -3.992 1.00 1.63 C ATOM 1039 C GLY A 99 -6.957 9.845 -4.008 1.00 1.93 C ATOM 1040 O GLY A 99 -7.192 10.508 -5.022 1.00 2.23 O ATOM 0 H GLY A 99 -6.332 6.945 -2.864 1.00 1.19 H new ATOM 0 HA2 GLY A 99 -7.771 8.100 -4.956 1.00 1.63 H new ATOM 0 HA3 GLY A 99 -8.113 8.208 -3.241 1.00 1.63 H new ATOM 1044 N PRO A 100 -6.312 10.349 -2.938 1.00 1.97 N ATOM 1045 CA PRO A 100 -5.823 11.721 -2.875 1.00 2.31 C ATOM 1046 C PRO A 100 -4.404 11.891 -3.462 1.00 2.13 C ATOM 1047 O PRO A 100 -3.780 12.936 -3.264 1.00 2.30 O ATOM 1048 CB PRO A 100 -5.918 12.047 -1.384 1.00 2.60 C ATOM 1049 CG PRO A 100 -5.488 10.745 -0.721 1.00 2.33 C ATOM 1050 CD PRO A 100 -6.166 9.714 -1.623 1.00 1.95 C ATOM 0 HA PRO A 100 -6.403 12.409 -3.490 1.00 2.31 H new ATOM 0 HB2 PRO A 100 -5.264 12.875 -1.109 1.00 2.60 H new ATOM 0 HB3 PRO A 100 -6.930 12.331 -1.097 1.00 2.60 H new ATOM 0 HG2 PRO A 100 -4.404 10.629 -0.706 1.00 2.33 H new ATOM 0 HG3 PRO A 100 -5.830 10.677 0.312 1.00 2.33 H new ATOM 0 HD2 PRO A 100 -5.567 8.806 -1.694 1.00 1.95 H new ATOM 0 HD3 PRO A 100 -7.137 9.425 -1.221 1.00 1.95 H new ATOM 1058 N VAL A 101 -3.871 10.861 -4.131 1.00 1.85 N ATOM 1059 CA VAL A 101 -2.461 10.707 -4.538 1.00 1.59 C ATOM 1060 C VAL A 101 -2.345 10.812 -6.070 1.00 1.64 C ATOM 1061 O VAL A 101 -3.341 10.660 -6.779 1.00 2.03 O ATOM 1062 CB VAL A 101 -1.870 9.390 -3.958 1.00 1.42 C ATOM 1063 CG1 VAL A 101 -0.353 9.376 -3.961 1.00 1.75 C ATOM 1064 CG2 VAL A 101 -2.285 9.140 -2.500 1.00 1.92 C ATOM 0 H VAL A 101 -4.441 10.066 -4.421 1.00 1.85 H new ATOM 0 HA VAL A 101 -1.860 11.516 -4.122 1.00 1.59 H new ATOM 0 HB VAL A 101 -2.270 8.618 -4.615 1.00 1.42 H new ATOM 0 HG11 VAL A 101 0.003 8.433 -3.545 1.00 1.75 H new ATOM 0 HG12 VAL A 101 0.010 9.482 -4.983 1.00 1.75 H new ATOM 0 HG13 VAL A 101 0.020 10.203 -3.356 1.00 1.75 H new ATOM 0 HG21 VAL A 101 -1.842 8.207 -2.151 1.00 1.92 H new ATOM 0 HG22 VAL A 101 -1.936 9.963 -1.876 1.00 1.92 H new ATOM 0 HG23 VAL A 101 -3.371 9.072 -2.437 1.00 1.92 H new ATOM 1074 N HIS A 102 -1.159 11.131 -6.597 1.00 1.47 N ATOM 1075 CA HIS A 102 -0.901 11.326 -8.035 1.00 1.57 C ATOM 1076 C HIS A 102 -0.075 10.166 -8.629 1.00 1.49 C ATOM 1077 O HIS A 102 -0.381 9.701 -9.733 1.00 1.65 O ATOM 1078 CB HIS A 102 -0.218 12.691 -8.266 1.00 1.61 C ATOM 1079 CG HIS A 102 -1.031 13.912 -7.885 1.00 2.13 C ATOM 1080 ND1 HIS A 102 -1.311 14.985 -8.704 1.00 2.81 N ATOM 1081 CD2 HIS A 102 -1.539 14.222 -6.650 1.00 2.86 C ATOM 1082 CE1 HIS A 102 -1.955 15.914 -7.980 1.00 3.87 C ATOM 1083 NE2 HIS A 102 -2.138 15.485 -6.718 1.00 4.03 N ATOM 0 H HIS A 102 -0.326 11.265 -6.023 1.00 1.47 H new ATOM 0 HA HIS A 102 -1.856 11.326 -8.560 1.00 1.57 H new ATOM 0 HB2 HIS A 102 0.714 12.709 -7.702 1.00 1.61 H new ATOM 0 HB3 HIS A 102 0.046 12.769 -9.321 1.00 1.61 H new ATOM 0 HD2 HIS A 102 -1.486 13.596 -5.771 1.00 2.86 H new ATOM 0 HE1 HIS A 102 -2.281 16.872 -8.358 1.00 3.87 H new ATOM 0 HE2 HIS A 102 -2.616 15.979 -5.965 1.00 4.03 H new ATOM 1091 N ALA A 103 0.915 9.656 -7.885 1.00 1.28 N ATOM 1092 CA ALA A 103 1.686 8.447 -8.191 1.00 1.17 C ATOM 1093 C ALA A 103 1.971 7.616 -6.931 1.00 0.91 C ATOM 1094 O ALA A 103 2.100 8.156 -5.831 1.00 0.81 O ATOM 1095 CB ALA A 103 3.016 8.816 -8.849 1.00 1.26 C ATOM 0 H ALA A 103 1.213 10.096 -7.014 1.00 1.28 H new ATOM 0 HA ALA A 103 1.082 7.849 -8.873 1.00 1.17 H new ATOM 0 HB1 ALA A 103 3.577 7.908 -9.070 1.00 1.26 H new ATOM 0 HB2 ALA A 103 2.826 9.359 -9.775 1.00 1.26 H new ATOM 0 HB3 ALA A 103 3.595 9.444 -8.172 1.00 1.26 H new ATOM 1101 N LEU A 104 2.093 6.301 -7.089 1.00 0.87 N ATOM 1102 CA LEU A 104 2.412 5.380 -6.010 1.00 0.70 C ATOM 1103 C LEU A 104 2.895 3.990 -6.450 1.00 0.68 C ATOM 1104 O LEU A 104 2.583 3.559 -7.560 1.00 0.84 O ATOM 1105 CB LEU A 104 1.218 5.272 -5.051 1.00 0.79 C ATOM 1106 CG LEU A 104 -0.164 4.784 -5.509 1.00 1.01 C ATOM 1107 CD1 LEU A 104 -1.014 4.751 -4.239 1.00 1.14 C ATOM 1108 CD2 LEU A 104 -0.882 5.711 -6.489 1.00 1.46 C ATOM 0 H LEU A 104 1.970 5.840 -7.990 1.00 0.87 H new ATOM 0 HA LEU A 104 3.273 5.812 -5.500 1.00 0.70 H new ATOM 0 HB2 LEU A 104 1.528 4.614 -4.239 1.00 0.79 H new ATOM 0 HB3 LEU A 104 1.072 6.263 -4.621 1.00 0.79 H new ATOM 0 HG LEU A 104 -0.031 3.832 -6.023 1.00 1.01 H new ATOM 0 HD11 LEU A 104 -2.020 4.411 -4.483 1.00 1.14 H new ATOM 0 HD12 LEU A 104 -0.565 4.067 -3.518 1.00 1.14 H new ATOM 0 HD13 LEU A 104 -1.064 5.751 -3.808 1.00 1.14 H new ATOM 0 HD21 LEU A 104 -1.848 5.282 -6.754 1.00 1.46 H new ATOM 0 HD22 LEU A 104 -1.033 6.685 -6.024 1.00 1.46 H new ATOM 0 HD23 LEU A 104 -0.278 5.828 -7.389 1.00 1.46 H new ATOM 1120 N ALA A 105 3.651 3.300 -5.584 1.00 0.60 N ATOM 1121 CA ALA A 105 4.041 1.890 -5.757 1.00 0.65 C ATOM 1122 C ALA A 105 3.978 1.027 -4.470 1.00 0.66 C ATOM 1123 O ALA A 105 4.611 1.340 -3.450 1.00 0.81 O ATOM 1124 CB ALA A 105 5.391 1.814 -6.476 1.00 0.70 C ATOM 0 H ALA A 105 4.017 3.713 -4.726 1.00 0.60 H new ATOM 0 HA ALA A 105 3.281 1.427 -6.387 1.00 0.65 H new ATOM 0 HB1 ALA A 105 5.677 0.770 -6.603 1.00 0.70 H new ATOM 0 HB2 ALA A 105 5.310 2.289 -7.454 1.00 0.70 H new ATOM 0 HB3 ALA A 105 6.148 2.329 -5.884 1.00 0.70 H new ATOM 1130 N ILE A 106 3.272 -0.111 -4.534 1.00 0.67 N ATOM 1131 CA ILE A 106 3.291 -1.161 -3.500 1.00 0.70 C ATOM 1132 C ILE A 106 4.271 -2.303 -3.817 1.00 0.74 C ATOM 1133 O ILE A 106 4.466 -2.666 -4.977 1.00 0.68 O ATOM 1134 CB ILE A 106 1.881 -1.733 -3.208 1.00 0.89 C ATOM 1135 CG1 ILE A 106 1.339 -2.610 -4.363 1.00 1.10 C ATOM 1136 CG2 ILE A 106 0.911 -0.612 -2.803 1.00 0.94 C ATOM 1137 CD1 ILE A 106 -0.068 -3.182 -4.155 1.00 1.05 C ATOM 0 H ILE A 106 2.660 -0.333 -5.319 1.00 0.67 H new ATOM 0 HA ILE A 106 3.649 -0.661 -2.600 1.00 0.70 H new ATOM 0 HB ILE A 106 1.971 -2.408 -2.357 1.00 0.89 H new ATOM 0 HG12 ILE A 106 1.339 -2.016 -5.277 1.00 1.10 H new ATOM 0 HG13 ILE A 106 2.029 -3.439 -4.521 1.00 1.10 H new ATOM 0 HG21 ILE A 106 -0.073 -1.037 -2.603 1.00 0.94 H new ATOM 0 HG22 ILE A 106 1.282 -0.117 -1.906 1.00 0.94 H new ATOM 0 HG23 ILE A 106 0.835 0.114 -3.613 1.00 0.94 H new ATOM 0 HD11 ILE A 106 -0.350 -3.780 -5.022 1.00 1.05 H new ATOM 0 HD12 ILE A 106 -0.078 -3.809 -3.263 1.00 1.05 H new ATOM 0 HD13 ILE A 106 -0.778 -2.365 -4.031 1.00 1.05 H new ATOM 1149 N GLN A 107 4.780 -2.945 -2.766 1.00 0.90 N ATOM 1150 CA GLN A 107 5.107 -4.377 -2.747 1.00 0.85 C ATOM 1151 C GLN A 107 4.077 -5.126 -1.881 1.00 0.78 C ATOM 1152 O GLN A 107 3.601 -4.581 -0.880 1.00 0.76 O ATOM 1153 CB GLN A 107 6.533 -4.614 -2.226 1.00 0.92 C ATOM 1154 CG GLN A 107 7.630 -4.379 -3.278 1.00 1.10 C ATOM 1155 CD GLN A 107 7.942 -2.912 -3.557 1.00 1.88 C ATOM 1156 OE1 GLN A 107 8.248 -2.126 -2.666 1.00 3.02 O ATOM 1157 NE2 GLN A 107 7.932 -2.497 -4.802 1.00 2.69 N ATOM 0 H GLN A 107 4.982 -2.477 -1.883 1.00 0.90 H new ATOM 0 HA GLN A 107 5.065 -4.761 -3.766 1.00 0.85 H new ATOM 0 HB2 GLN A 107 6.712 -3.956 -1.376 1.00 0.92 H new ATOM 0 HB3 GLN A 107 6.609 -5.637 -1.859 1.00 0.92 H new ATOM 0 HG2 GLN A 107 8.543 -4.874 -2.948 1.00 1.10 H new ATOM 0 HG3 GLN A 107 7.328 -4.856 -4.211 1.00 1.10 H new ATOM 0 HE21 GLN A 107 7.679 -3.140 -5.552 1.00 2.69 H new ATOM 0 HE22 GLN A 107 8.177 -1.531 -5.020 1.00 2.69 H new ATOM 1166 N ALA A 108 3.725 -6.364 -2.248 1.00 1.10 N ATOM 1167 CA ALA A 108 2.652 -7.139 -1.614 1.00 0.98 C ATOM 1168 C ALA A 108 3.056 -8.592 -1.307 1.00 0.99 C ATOM 1169 O ALA A 108 3.540 -9.292 -2.195 1.00 1.25 O ATOM 1170 CB ALA A 108 1.404 -7.078 -2.500 1.00 1.07 C ATOM 0 H ALA A 108 4.186 -6.864 -3.008 1.00 1.10 H new ATOM 0 HA ALA A 108 2.438 -6.689 -0.644 1.00 0.98 H new ATOM 0 HB1 ALA A 108 0.601 -7.651 -2.037 1.00 1.07 H new ATOM 0 HB2 ALA A 108 1.090 -6.041 -2.615 1.00 1.07 H new ATOM 0 HB3 ALA A 108 1.632 -7.499 -3.479 1.00 1.07 H new ATOM 1176 N ARG A 109 2.851 -9.067 -0.066 1.00 0.79 N ATOM 1177 CA ARG A 109 3.296 -10.420 0.370 1.00 0.77 C ATOM 1178 C ARG A 109 2.360 -11.120 1.377 1.00 0.66 C ATOM 1179 O ARG A 109 1.382 -10.541 1.842 1.00 0.60 O ATOM 1180 CB ARG A 109 4.728 -10.306 0.944 1.00 1.01 C ATOM 1181 CG ARG A 109 5.862 -10.246 -0.103 1.00 1.33 C ATOM 1182 CD ARG A 109 6.373 -8.838 -0.458 1.00 1.52 C ATOM 1183 NE ARG A 109 7.209 -8.891 -1.673 1.00 1.52 N ATOM 1184 CZ ARG A 109 8.259 -8.157 -1.992 1.00 1.90 C ATOM 1185 NH1 ARG A 109 8.750 -7.225 -1.234 1.00 2.94 N ATOM 1186 NH2 ARG A 109 8.855 -8.352 -3.129 1.00 2.17 N ATOM 0 H ARG A 109 2.377 -8.536 0.664 1.00 0.79 H new ATOM 0 HA ARG A 109 3.272 -11.058 -0.513 1.00 0.77 H new ATOM 0 HB2 ARG A 109 4.782 -9.411 1.564 1.00 1.01 H new ATOM 0 HB3 ARG A 109 4.907 -11.159 1.599 1.00 1.01 H new ATOM 0 HG2 ARG A 109 6.702 -10.835 0.265 1.00 1.33 H new ATOM 0 HG3 ARG A 109 5.513 -10.726 -1.017 1.00 1.33 H new ATOM 0 HD2 ARG A 109 5.529 -8.166 -0.617 1.00 1.52 H new ATOM 0 HD3 ARG A 109 6.951 -8.433 0.373 1.00 1.52 H new ATOM 0 HE ARG A 109 6.938 -9.592 -2.362 1.00 1.52 H new ATOM 0 HH11 ARG A 109 8.321 -7.023 -0.331 1.00 2.94 H new ATOM 0 HH12 ARG A 109 9.565 -6.694 -1.541 1.00 2.94 H new ATOM 0 HH21 ARG A 109 8.511 -9.068 -3.769 1.00 2.17 H new ATOM 0 HH22 ARG A 109 9.667 -7.789 -3.382 1.00 2.17 H new ATOM 1200 N THR A 110 2.692 -12.351 1.774 1.00 0.77 N ATOM 1201 CA THR A 110 2.071 -13.063 2.913 1.00 0.93 C ATOM 1202 C THR A 110 2.986 -13.141 4.155 1.00 0.91 C ATOM 1203 O THR A 110 4.208 -12.962 4.043 1.00 0.84 O ATOM 1204 CB THR A 110 1.557 -14.456 2.513 1.00 1.20 C ATOM 1205 OG1 THR A 110 2.607 -15.329 2.175 1.00 1.37 O ATOM 1206 CG2 THR A 110 0.599 -14.369 1.333 1.00 1.23 C ATOM 0 H THR A 110 3.415 -12.899 1.308 1.00 0.77 H new ATOM 0 HA THR A 110 1.210 -12.459 3.200 1.00 0.93 H new ATOM 0 HB THR A 110 1.036 -14.851 3.385 1.00 1.20 H new ATOM 0 HG1 THR A 110 2.239 -16.203 1.928 1.00 1.37 H new ATOM 0 HG21 THR A 110 0.252 -15.369 1.072 1.00 1.23 H new ATOM 0 HG22 THR A 110 -0.255 -13.747 1.602 1.00 1.23 H new ATOM 0 HG23 THR A 110 1.113 -13.929 0.479 1.00 1.23 H new ATOM 1214 N PRO A 111 2.427 -13.376 5.361 1.00 0.99 N ATOM 1215 CA PRO A 111 3.206 -13.374 6.598 1.00 1.00 C ATOM 1216 C PRO A 111 4.345 -14.393 6.564 1.00 1.02 C ATOM 1217 O PRO A 111 5.502 -14.011 6.655 1.00 0.95 O ATOM 1218 CB PRO A 111 2.218 -13.624 7.742 1.00 1.05 C ATOM 1219 CG PRO A 111 0.877 -13.181 7.159 1.00 1.67 C ATOM 1220 CD PRO A 111 1.009 -13.480 5.667 1.00 1.10 C ATOM 0 HA PRO A 111 3.705 -12.415 6.738 1.00 1.00 H new ATOM 0 HB2 PRO A 111 2.201 -14.674 8.035 1.00 1.05 H new ATOM 0 HB3 PRO A 111 2.479 -13.049 8.630 1.00 1.05 H new ATOM 0 HG2 PRO A 111 0.047 -13.729 7.605 1.00 1.67 H new ATOM 0 HG3 PRO A 111 0.693 -12.122 7.340 1.00 1.67 H new ATOM 0 HD2 PRO A 111 0.632 -14.476 5.434 1.00 1.10 H new ATOM 0 HD3 PRO A 111 0.429 -12.772 5.074 1.00 1.10 H new ATOM 1228 N ALA A 112 4.083 -15.676 6.311 1.00 1.19 N ATOM 1229 CA ALA A 112 5.146 -16.675 6.396 1.00 1.28 C ATOM 1230 C ALA A 112 6.231 -16.557 5.298 1.00 1.04 C ATOM 1231 O ALA A 112 7.354 -17.016 5.522 1.00 1.05 O ATOM 1232 CB ALA A 112 4.501 -18.055 6.449 1.00 1.68 C ATOM 0 H ALA A 112 3.166 -16.041 6.052 1.00 1.19 H new ATOM 0 HA ALA A 112 5.708 -16.493 7.312 1.00 1.28 H new ATOM 0 HB1 ALA A 112 5.277 -18.817 6.513 1.00 1.68 H new ATOM 0 HB2 ALA A 112 3.855 -18.121 7.324 1.00 1.68 H new ATOM 0 HB3 ALA A 112 3.909 -18.215 5.548 1.00 1.68 H new ATOM 1238 N GLN A 113 5.977 -15.888 4.163 1.00 0.96 N ATOM 1239 CA GLN A 113 7.071 -15.501 3.255 1.00 0.90 C ATOM 1240 C GLN A 113 7.856 -14.294 3.798 1.00 0.74 C ATOM 1241 O GLN A 113 9.086 -14.317 3.733 1.00 0.86 O ATOM 1242 CB GLN A 113 6.619 -15.332 1.799 1.00 1.04 C ATOM 1243 CG GLN A 113 5.724 -14.123 1.562 1.00 1.05 C ATOM 1244 CD GLN A 113 5.226 -14.037 0.125 1.00 1.35 C ATOM 1245 OE1 GLN A 113 5.799 -13.373 -0.722 1.00 1.38 O ATOM 1246 NE2 GLN A 113 4.113 -14.651 -0.195 1.00 2.72 N ATOM 0 H GLN A 113 5.046 -15.608 3.855 1.00 0.96 H new ATOM 0 HA GLN A 113 7.769 -16.338 3.229 1.00 0.90 H new ATOM 0 HB2 GLN A 113 7.501 -15.248 1.164 1.00 1.04 H new ATOM 0 HB3 GLN A 113 6.087 -16.231 1.488 1.00 1.04 H new ATOM 0 HG2 GLN A 113 4.869 -14.170 2.237 1.00 1.05 H new ATOM 0 HG3 GLN A 113 6.274 -13.214 1.807 1.00 1.05 H new ATOM 0 HE21 GLN A 113 3.621 -15.211 0.501 1.00 2.72 H new ATOM 0 HE22 GLN A 113 3.739 -14.569 -1.140 1.00 2.72 H new ATOM 1255 N TRP A 114 7.203 -13.290 4.421 1.00 0.64 N ATOM 1256 CA TRP A 114 7.929 -12.285 5.231 1.00 0.67 C ATOM 1257 C TRP A 114 8.798 -12.945 6.311 1.00 0.82 C ATOM 1258 O TRP A 114 9.939 -12.522 6.500 1.00 1.01 O ATOM 1259 CB TRP A 114 6.987 -11.251 5.864 1.00 0.75 C ATOM 1260 CG TRP A 114 7.660 -10.110 6.545 1.00 0.84 C ATOM 1261 CD1 TRP A 114 8.072 -10.106 7.830 1.00 1.12 C ATOM 1262 CD2 TRP A 114 7.857 -8.752 6.053 1.00 0.72 C ATOM 1263 NE1 TRP A 114 8.447 -8.830 8.186 1.00 1.00 N ATOM 1264 CE2 TRP A 114 8.217 -7.940 7.164 1.00 0.75 C ATOM 1265 CE3 TRP A 114 7.667 -8.100 4.817 1.00 0.69 C ATOM 1266 CZ2 TRP A 114 8.203 -6.544 7.097 1.00 0.73 C ATOM 1267 CZ3 TRP A 114 7.714 -6.695 4.726 1.00 0.74 C ATOM 1268 CH2 TRP A 114 7.950 -5.913 5.869 1.00 0.80 C ATOM 0 H TRP A 114 6.193 -13.153 4.381 1.00 0.64 H new ATOM 0 HA TRP A 114 8.584 -11.756 4.539 1.00 0.67 H new ATOM 0 HB2 TRP A 114 6.334 -10.855 5.086 1.00 0.75 H new ATOM 0 HB3 TRP A 114 6.349 -11.759 6.587 1.00 0.75 H new ATOM 0 HD1 TRP A 114 8.103 -10.969 8.478 1.00 1.12 H new ATOM 0 HE1 TRP A 114 8.844 -8.578 9.091 1.00 1.00 H new ATOM 0 HE3 TRP A 114 7.483 -8.686 3.928 1.00 0.69 H new ATOM 0 HZ2 TRP A 114 8.386 -5.955 7.984 1.00 0.73 H new ATOM 0 HZ3 TRP A 114 7.567 -6.215 3.770 1.00 0.74 H new ATOM 0 HH2 TRP A 114 7.937 -4.835 5.803 1.00 0.80 H new ATOM 1279 N ARG A 115 8.320 -14.014 6.962 1.00 0.85 N ATOM 1280 CA ARG A 115 9.090 -14.749 7.994 1.00 1.12 C ATOM 1281 C ARG A 115 10.352 -15.406 7.419 1.00 1.26 C ATOM 1282 O ARG A 115 11.412 -15.321 8.044 1.00 1.52 O ATOM 1283 CB ARG A 115 8.228 -15.795 8.733 1.00 1.23 C ATOM 1284 CG ARG A 115 7.022 -15.195 9.475 1.00 1.39 C ATOM 1285 CD ARG A 115 6.171 -16.237 10.211 1.00 1.55 C ATOM 1286 NE ARG A 115 6.717 -16.591 11.535 1.00 2.36 N ATOM 1287 CZ ARG A 115 6.906 -17.805 12.021 1.00 3.63 C ATOM 1288 NH1 ARG A 115 6.878 -18.894 11.312 1.00 4.67 N ATOM 1289 NH2 ARG A 115 7.114 -17.970 13.289 1.00 4.44 N ATOM 0 H ARG A 115 7.391 -14.399 6.794 1.00 0.85 H new ATOM 0 HA ARG A 115 9.404 -14.000 8.721 1.00 1.12 H new ATOM 0 HB2 ARG A 115 7.870 -16.531 8.013 1.00 1.23 H new ATOM 0 HB3 ARG A 115 8.854 -16.328 9.449 1.00 1.23 H new ATOM 0 HG2 ARG A 115 7.379 -14.457 10.194 1.00 1.39 H new ATOM 0 HG3 ARG A 115 6.393 -14.665 8.760 1.00 1.39 H new ATOM 0 HD2 ARG A 115 5.158 -15.852 10.332 1.00 1.55 H new ATOM 0 HD3 ARG A 115 6.099 -17.137 9.601 1.00 1.55 H new ATOM 0 HE ARG A 115 6.977 -15.813 12.142 1.00 2.36 H new ATOM 0 HH11 ARG A 115 6.701 -18.845 10.309 1.00 4.67 H new ATOM 0 HH12 ARG A 115 7.033 -19.798 11.759 1.00 4.67 H new ATOM 0 HH21 ARG A 115 7.132 -17.163 13.912 1.00 4.44 H new ATOM 0 HH22 ARG A 115 7.260 -18.907 13.664 1.00 4.44 H new ATOM 1303 N GLU A 116 10.272 -15.997 6.223 1.00 1.24 N ATOM 1304 CA GLU A 116 11.413 -16.638 5.549 1.00 1.55 C ATOM 1305 C GLU A 116 12.407 -15.618 4.964 1.00 1.61 C ATOM 1306 O GLU A 116 13.559 -15.582 5.407 1.00 1.87 O ATOM 1307 CB GLU A 116 10.879 -17.578 4.446 1.00 1.70 C ATOM 1308 CG GLU A 116 11.922 -18.171 3.471 1.00 2.64 C ATOM 1309 CD GLU A 116 12.638 -19.419 3.994 1.00 2.71 C ATOM 1310 OE1 GLU A 116 13.351 -19.344 5.024 1.00 3.44 O ATOM 1311 OE2 GLU A 116 12.483 -20.492 3.360 1.00 3.20 O ATOM 0 H GLU A 116 9.405 -16.046 5.687 1.00 1.24 H new ATOM 0 HA GLU A 116 11.968 -17.210 6.292 1.00 1.55 H new ATOM 0 HB2 GLU A 116 10.356 -18.404 4.928 1.00 1.70 H new ATOM 0 HB3 GLU A 116 10.140 -17.030 3.861 1.00 1.70 H new ATOM 0 HG2 GLU A 116 11.425 -18.418 2.533 1.00 2.64 H new ATOM 0 HG3 GLU A 116 12.666 -17.407 3.246 1.00 2.64 H new ATOM 1318 N ASN A 117 12.006 -14.830 3.956 1.00 1.51 N ATOM 1319 CA ASN A 117 12.905 -13.893 3.258 1.00 1.76 C ATOM 1320 C ASN A 117 12.229 -12.604 2.735 1.00 1.69 C ATOM 1321 O ASN A 117 12.841 -11.826 2.004 1.00 2.19 O ATOM 1322 CB ASN A 117 13.651 -14.660 2.142 1.00 2.24 C ATOM 1323 CG ASN A 117 14.873 -13.907 1.655 1.00 2.55 C ATOM 1324 OD1 ASN A 117 15.715 -13.483 2.438 1.00 2.98 O ATOM 1325 ND2 ASN A 117 15.037 -13.725 0.366 1.00 3.18 N ATOM 0 H ASN A 117 11.050 -14.823 3.600 1.00 1.51 H new ATOM 0 HA ASN A 117 13.615 -13.518 3.995 1.00 1.76 H new ATOM 0 HB2 ASN A 117 13.953 -15.639 2.514 1.00 2.24 H new ATOM 0 HB3 ASN A 117 12.974 -14.832 1.305 1.00 2.24 H new ATOM 0 HD21 ASN A 117 15.861 -13.233 0.021 1.00 3.18 H new ATOM 0 HD22 ASN A 117 14.340 -14.075 -0.291 1.00 3.18 H new ATOM 1332 N SER A 118 10.938 -12.397 3.001 1.00 1.71 N ATOM 1333 CA SER A 118 10.048 -11.471 2.267 1.00 2.17 C ATOM 1334 C SER A 118 9.968 -11.701 0.742 1.00 2.38 C ATOM 1335 O SER A 118 9.476 -10.840 0.020 1.00 3.31 O ATOM 1336 CB SER A 118 10.255 -10.002 2.699 1.00 2.83 C ATOM 1337 OG SER A 118 11.597 -9.557 2.570 1.00 3.60 O ATOM 0 H SER A 118 10.458 -12.883 3.759 1.00 1.71 H new ATOM 0 HA SER A 118 9.037 -11.731 2.580 1.00 2.17 H new ATOM 0 HB2 SER A 118 9.609 -9.361 2.099 1.00 2.83 H new ATOM 0 HB3 SER A 118 9.941 -9.889 3.737 1.00 2.83 H new ATOM 0 HG SER A 118 12.101 -10.192 2.019 1.00 3.60 H new TER 1343 SER A 118