USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 686 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 36 HIS : no HD1:sc= -0.179 K(o=-0.18,f=-0.79) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 147:sc= -0.0432 (180deg=-0.194) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.21 K(o=1.2,f=-0.55) USER MOD Single : A 9 ASN : amide:sc= 0.97 K(o=0.97,f=-0.86) USER MOD Single : A 12 SER OG : rot 68:sc= 1.07 USER MOD Single : A 13 TYR OH : rot -75:sc= 0.0626 USER MOD Single : A 15 ASN : amide:sc=-0.00321 K(o=-0.0032,f=-0.56) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.17) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.276 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0669 USER MOD Single : A 30 SER OG : rot 63:sc= 1.25 USER MOD Single : A 37 THR OG1 : rot 92:sc= 0.113 USER MOD Single : A 38 TYR OH : rot 15:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.58) USER MOD Single : A 42 GLN : amide:sc= 0.328! C(o=0.33!,f=-9.2!) USER MOD Single : A 44 HIS : no HE2:sc= 0.905 K(o=0.91,f=-2.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -161:sc= -4.48! (180deg=-5.26!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 60:sc= 1.25 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0531 K(o=-0.053,f=-0.73) USER MOD Single : A 74 SER OG : rot 69:sc= 1.21 USER MOD Single : A 78 GLN : amide:sc= -0.251 K(o=-0.25,f=-0.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.808 -17.767 4.264 1.00 31.13 N ATOM 2 CA GLU A 1 17.057 -16.362 4.005 1.00 41.50 C ATOM 3 C GLU A 1 17.249 -15.600 5.316 1.00 62.40 C ATOM 4 O GLU A 1 16.500 -15.792 6.276 1.00 50.43 O ATOM 5 CB GLU A 1 15.920 -15.753 3.171 1.00 40.21 C ATOM 6 CG GLU A 1 14.529 -15.964 3.754 1.00 54.13 C ATOM 7 CD GLU A 1 13.439 -15.385 2.893 1.00 63.15 C ATOM 8 OE1 GLU A 1 13.219 -14.167 2.933 1.00 72.43 O ATOM 9 OE2 GLU A 1 12.773 -16.140 2.160 1.00 10.44 O ATOM 0 H1 GLU A 1 16.166 -18.145 3.538 1.00 31.13 H new ATOM 0 H2 GLU A 1 17.707 -18.289 4.238 1.00 31.13 H new ATOM 0 H3 GLU A 1 16.372 -17.875 5.202 1.00 31.13 H new ATOM 0 HA GLU A 1 17.977 -16.276 3.428 1.00 41.50 H new ATOM 0 HB2 GLU A 1 16.097 -14.683 3.064 1.00 40.21 H new ATOM 0 HB3 GLU A 1 15.950 -16.183 2.170 1.00 40.21 H new ATOM 0 HG2 GLU A 1 14.353 -17.032 3.884 1.00 54.13 H new ATOM 0 HG3 GLU A 1 14.483 -15.510 4.744 1.00 54.13 H new ATOM 16 N SER A 2 18.268 -14.790 5.369 1.00 74.22 N ATOM 17 CA SER A 2 18.549 -13.996 6.543 1.00 73.30 C ATOM 18 C SER A 2 18.147 -12.536 6.296 1.00 22.30 C ATOM 19 O SER A 2 18.013 -11.733 7.230 1.00 62.21 O ATOM 20 CB SER A 2 20.036 -14.092 6.875 1.00 30.14 C ATOM 21 OG SER A 2 20.447 -15.462 6.935 1.00 52.54 O ATOM 0 H SER A 2 18.929 -14.658 4.604 1.00 74.22 H new ATOM 0 HA SER A 2 17.972 -14.374 7.387 1.00 73.30 H new ATOM 0 HB2 SER A 2 20.618 -13.564 6.120 1.00 30.14 H new ATOM 0 HB3 SER A 2 20.234 -13.604 7.829 1.00 30.14 H new ATOM 0 HG SER A 2 21.403 -15.508 7.147 1.00 52.54 H new ATOM 27 N ASP A 3 17.945 -12.207 5.046 1.00 65.10 N ATOM 28 CA ASP A 3 17.565 -10.868 4.638 1.00 12.12 C ATOM 29 C ASP A 3 16.191 -10.913 4.031 1.00 54.10 C ATOM 30 O ASP A 3 15.761 -11.958 3.557 1.00 33.11 O ATOM 31 CB ASP A 3 18.569 -10.318 3.616 1.00 65.31 C ATOM 32 CG ASP A 3 18.251 -8.915 3.135 1.00 51.33 C ATOM 33 OD1 ASP A 3 18.103 -7.998 3.976 1.00 14.41 O ATOM 34 OD2 ASP A 3 18.174 -8.698 1.913 1.00 72.20 O ATOM 0 H ASP A 3 18.039 -12.863 4.271 1.00 65.10 H new ATOM 0 HA ASP A 3 17.563 -10.212 5.508 1.00 12.12 H new ATOM 0 HB2 ASP A 3 19.564 -10.322 4.061 1.00 65.31 H new ATOM 0 HB3 ASP A 3 18.601 -10.988 2.756 1.00 65.31 H new ATOM 39 N SER A 4 15.491 -9.831 4.107 1.00 31.21 N ATOM 40 CA SER A 4 14.205 -9.714 3.508 1.00 51.55 C ATOM 41 C SER A 4 14.304 -8.696 2.369 1.00 63.32 C ATOM 42 O SER A 4 14.128 -7.503 2.582 1.00 5.33 O ATOM 43 CB SER A 4 13.195 -9.283 4.561 1.00 31.04 C ATOM 44 OG SER A 4 13.216 -10.148 5.685 1.00 74.20 O ATOM 0 H SER A 4 15.801 -8.991 4.595 1.00 31.21 H new ATOM 0 HA SER A 4 13.870 -10.668 3.102 1.00 51.55 H new ATOM 0 HB2 SER A 4 13.413 -8.264 4.880 1.00 31.04 H new ATOM 0 HB3 SER A 4 12.196 -9.274 4.126 1.00 31.04 H new ATOM 0 HG SER A 4 12.558 -9.844 6.344 1.00 74.20 H new ATOM 50 N VAL A 5 14.642 -9.182 1.178 1.00 1.35 N ATOM 51 CA VAL A 5 14.916 -8.339 0.012 1.00 70.04 C ATOM 52 C VAL A 5 13.742 -7.422 -0.334 1.00 42.44 C ATOM 53 O VAL A 5 13.886 -6.194 -0.356 1.00 61.11 O ATOM 54 CB VAL A 5 15.291 -9.200 -1.217 1.00 72.42 C ATOM 55 CG1 VAL A 5 15.635 -8.327 -2.401 1.00 5.42 C ATOM 56 CG2 VAL A 5 16.450 -10.120 -0.889 1.00 73.03 C ATOM 0 H VAL A 5 14.735 -10.180 0.991 1.00 1.35 H new ATOM 0 HA VAL A 5 15.762 -7.706 0.279 1.00 70.04 H new ATOM 0 HB VAL A 5 14.426 -9.809 -1.479 1.00 72.42 H new ATOM 0 HG11 VAL A 5 15.895 -8.955 -3.253 1.00 5.42 H new ATOM 0 HG12 VAL A 5 14.776 -7.706 -2.657 1.00 5.42 H new ATOM 0 HG13 VAL A 5 16.482 -7.689 -2.149 1.00 5.42 H new ATOM 0 HG21 VAL A 5 16.699 -10.718 -1.766 1.00 73.03 H new ATOM 0 HG22 VAL A 5 17.315 -9.525 -0.597 1.00 73.03 H new ATOM 0 HG23 VAL A 5 16.170 -10.780 -0.068 1.00 73.03 H new ATOM 66 N GLU A 6 12.589 -8.014 -0.567 1.00 3.24 N ATOM 67 CA GLU A 6 11.382 -7.270 -0.907 1.00 34.43 C ATOM 68 C GLU A 6 10.966 -6.356 0.194 1.00 14.42 C ATOM 69 O GLU A 6 10.432 -5.297 -0.047 1.00 31.05 O ATOM 70 CB GLU A 6 10.265 -8.213 -1.253 1.00 62.44 C ATOM 71 CG GLU A 6 10.502 -8.912 -2.546 1.00 73.42 C ATOM 72 CD GLU A 6 10.449 -7.947 -3.708 1.00 44.51 C ATOM 73 OE1 GLU A 6 11.433 -7.238 -3.975 1.00 22.21 O ATOM 74 OE2 GLU A 6 9.398 -7.854 -4.361 1.00 30.44 O ATOM 0 H GLU A 6 12.456 -9.025 -0.527 1.00 3.24 H new ATOM 0 HA GLU A 6 11.611 -6.655 -1.777 1.00 34.43 H new ATOM 0 HB2 GLU A 6 10.154 -8.950 -0.458 1.00 62.44 H new ATOM 0 HB3 GLU A 6 9.328 -7.659 -1.307 1.00 62.44 H new ATOM 0 HG2 GLU A 6 11.474 -9.404 -2.523 1.00 73.42 H new ATOM 0 HG3 GLU A 6 9.753 -9.692 -2.683 1.00 73.42 H new ATOM 81 N PHE A 7 11.248 -6.759 1.388 1.00 25.23 N ATOM 82 CA PHE A 7 10.955 -5.977 2.551 1.00 63.21 C ATOM 83 C PHE A 7 11.832 -4.733 2.569 1.00 65.24 C ATOM 84 O PHE A 7 11.359 -3.651 2.833 1.00 13.53 O ATOM 85 CB PHE A 7 11.150 -6.834 3.786 1.00 33.40 C ATOM 86 CG PHE A 7 11.087 -6.116 5.096 1.00 2.12 C ATOM 87 CD1 PHE A 7 9.877 -5.822 5.680 1.00 2.22 C ATOM 88 CD2 PHE A 7 12.250 -5.749 5.741 1.00 41.02 C ATOM 89 CE1 PHE A 7 9.821 -5.166 6.892 1.00 32.44 C ATOM 90 CE2 PHE A 7 12.210 -5.093 6.954 1.00 60.41 C ATOM 91 CZ PHE A 7 10.991 -4.800 7.531 1.00 53.50 C ATOM 0 H PHE A 7 11.695 -7.653 1.590 1.00 25.23 H new ATOM 0 HA PHE A 7 9.918 -5.641 2.535 1.00 63.21 H new ATOM 0 HB2 PHE A 7 10.391 -7.616 3.785 1.00 33.40 H new ATOM 0 HB3 PHE A 7 12.118 -7.330 3.712 1.00 33.40 H new ATOM 0 HD1 PHE A 7 8.961 -6.108 5.184 1.00 2.22 H new ATOM 0 HD2 PHE A 7 13.204 -5.978 5.290 1.00 41.02 H new ATOM 0 HE1 PHE A 7 8.865 -4.939 7.341 1.00 32.44 H new ATOM 0 HE2 PHE A 7 13.127 -4.810 7.449 1.00 60.41 H new ATOM 0 HZ PHE A 7 10.951 -4.286 8.480 1.00 53.50 H new ATOM 101 N ASN A 8 13.096 -4.898 2.244 1.00 44.51 N ATOM 102 CA ASN A 8 14.027 -3.772 2.163 1.00 34.21 C ATOM 103 C ASN A 8 13.579 -2.820 1.079 1.00 64.33 C ATOM 104 O ASN A 8 13.592 -1.602 1.262 1.00 52.34 O ATOM 105 CB ASN A 8 15.445 -4.238 1.856 1.00 1.22 C ATOM 106 CG ASN A 8 16.065 -5.087 2.943 1.00 62.03 C ATOM 107 OD1 ASN A 8 15.753 -4.953 4.133 1.00 74.23 O ATOM 108 ND2 ASN A 8 16.948 -5.953 2.549 1.00 74.11 N ATOM 0 H ASN A 8 13.513 -5.804 2.029 1.00 44.51 H new ATOM 0 HA ASN A 8 14.030 -3.273 3.132 1.00 34.21 H new ATOM 0 HB2 ASN A 8 15.436 -4.807 0.926 1.00 1.22 H new ATOM 0 HB3 ASN A 8 16.075 -3.364 1.689 1.00 1.22 H new ATOM 0 HD21 ASN A 8 17.412 -6.554 3.230 1.00 74.11 H new ATOM 0 HD22 ASN A 8 17.177 -6.033 1.558 1.00 74.11 H new ATOM 115 N ASN A 9 13.158 -3.389 -0.046 1.00 71.44 N ATOM 116 CA ASN A 9 12.622 -2.613 -1.171 1.00 1.42 C ATOM 117 C ASN A 9 11.379 -1.886 -0.740 1.00 4.42 C ATOM 118 O ASN A 9 11.201 -0.708 -1.033 1.00 14.41 O ATOM 119 CB ASN A 9 12.295 -3.509 -2.376 1.00 35.40 C ATOM 120 CG ASN A 9 13.515 -4.111 -3.023 1.00 2.51 C ATOM 121 OD1 ASN A 9 14.606 -3.517 -3.003 1.00 53.41 O ATOM 122 ND2 ASN A 9 13.362 -5.279 -3.597 1.00 61.24 N ATOM 0 H ASN A 9 13.176 -4.396 -0.208 1.00 71.44 H new ATOM 0 HA ASN A 9 13.388 -1.900 -1.476 1.00 1.42 H new ATOM 0 HB2 ASN A 9 11.631 -4.311 -2.053 1.00 35.40 H new ATOM 0 HB3 ASN A 9 11.751 -2.924 -3.117 1.00 35.40 H new ATOM 0 HD21 ASN A 9 14.156 -5.733 -4.049 1.00 61.24 H new ATOM 0 HD22 ASN A 9 12.449 -5.734 -3.592 1.00 61.24 H new ATOM 129 N ALA A 10 10.532 -2.589 -0.019 1.00 40.44 N ATOM 130 CA ALA A 10 9.309 -2.038 0.499 1.00 50.24 C ATOM 131 C ALA A 10 9.602 -0.903 1.445 1.00 44.02 C ATOM 132 O ALA A 10 9.000 0.131 1.343 1.00 74.42 O ATOM 133 CB ALA A 10 8.457 -3.121 1.138 1.00 0.24 C ATOM 0 H ALA A 10 10.679 -3.569 0.224 1.00 40.44 H new ATOM 0 HA ALA A 10 8.728 -1.627 -0.327 1.00 50.24 H new ATOM 0 HB1 ALA A 10 7.537 -2.681 1.523 1.00 0.24 H new ATOM 0 HB2 ALA A 10 8.213 -3.879 0.393 1.00 0.24 H new ATOM 0 HB3 ALA A 10 9.009 -3.582 1.957 1.00 0.24 H new ATOM 139 N ILE A 11 10.548 -1.091 2.347 1.00 72.43 N ATOM 140 CA ILE A 11 10.994 -0.038 3.213 1.00 15.52 C ATOM 141 C ILE A 11 11.580 1.125 2.425 1.00 34.31 C ATOM 142 O ILE A 11 11.367 2.244 2.787 1.00 65.21 O ATOM 143 CB ILE A 11 11.972 -0.568 4.305 1.00 24.13 C ATOM 144 CG1 ILE A 11 11.200 -1.189 5.488 1.00 45.42 C ATOM 145 CG2 ILE A 11 12.892 0.548 4.820 1.00 75.13 C ATOM 146 CD1 ILE A 11 10.077 -2.148 5.160 1.00 20.04 C ATOM 0 H ILE A 11 11.023 -1.982 2.492 1.00 72.43 H new ATOM 0 HA ILE A 11 10.120 0.348 3.737 1.00 15.52 H new ATOM 0 HB ILE A 11 12.585 -1.339 3.839 1.00 24.13 H new ATOM 0 HG12 ILE A 11 11.917 -1.713 6.120 1.00 45.42 H new ATOM 0 HG13 ILE A 11 10.785 -0.376 6.084 1.00 45.42 H new ATOM 0 HG21 ILE A 11 13.562 0.146 5.580 1.00 75.13 H new ATOM 0 HG22 ILE A 11 13.480 0.946 3.993 1.00 75.13 H new ATOM 0 HG23 ILE A 11 12.289 1.346 5.253 1.00 75.13 H new ATOM 0 HD11 ILE A 11 9.623 -2.507 6.084 1.00 20.04 H new ATOM 0 HD12 ILE A 11 9.324 -1.635 4.561 1.00 20.04 H new ATOM 0 HD13 ILE A 11 10.473 -2.994 4.598 1.00 20.04 H new ATOM 158 N SER A 12 12.269 0.854 1.331 1.00 21.35 N ATOM 159 CA SER A 12 12.802 1.929 0.491 1.00 11.12 C ATOM 160 C SER A 12 11.618 2.763 -0.057 1.00 43.15 C ATOM 161 O SER A 12 11.636 4.002 -0.028 1.00 73.34 O ATOM 162 CB SER A 12 13.636 1.343 -0.661 1.00 61.14 C ATOM 163 OG SER A 12 14.636 0.439 -0.172 1.00 43.43 O ATOM 0 H SER A 12 12.475 -0.089 1.000 1.00 21.35 H new ATOM 0 HA SER A 12 13.456 2.571 1.081 1.00 11.12 H new ATOM 0 HB2 SER A 12 12.981 0.821 -1.359 1.00 61.14 H new ATOM 0 HB3 SER A 12 14.113 2.151 -1.215 1.00 61.14 H new ATOM 0 HG SER A 12 14.203 -0.358 0.200 1.00 43.43 H new ATOM 169 N TYR A 13 10.594 2.056 -0.504 1.00 41.31 N ATOM 170 CA TYR A 13 9.340 2.637 -0.961 1.00 20.44 C ATOM 171 C TYR A 13 8.642 3.395 0.184 1.00 3.21 C ATOM 172 O TYR A 13 8.233 4.540 0.025 1.00 32.24 O ATOM 173 CB TYR A 13 8.452 1.499 -1.523 1.00 41.35 C ATOM 174 CG TYR A 13 6.976 1.813 -1.717 1.00 24.44 C ATOM 175 CD1 TYR A 13 6.537 2.664 -2.715 1.00 12.42 C ATOM 176 CD2 TYR A 13 6.020 1.232 -0.885 1.00 33.21 C ATOM 177 CE1 TYR A 13 5.188 2.928 -2.881 1.00 75.43 C ATOM 178 CE2 TYR A 13 4.676 1.489 -1.047 1.00 44.14 C ATOM 179 CZ TYR A 13 4.264 2.338 -2.045 1.00 21.42 C ATOM 180 OH TYR A 13 2.922 2.600 -2.210 1.00 11.21 O ATOM 0 H TYR A 13 10.611 1.038 -0.561 1.00 41.31 H new ATOM 0 HA TYR A 13 9.527 3.366 -1.750 1.00 20.44 H new ATOM 0 HB2 TYR A 13 8.863 1.191 -2.484 1.00 41.35 H new ATOM 0 HB3 TYR A 13 8.532 0.643 -0.853 1.00 41.35 H new ATOM 0 HD1 TYR A 13 7.256 3.129 -3.373 1.00 12.42 H new ATOM 0 HD2 TYR A 13 6.340 0.566 -0.097 1.00 33.21 H new ATOM 0 HE1 TYR A 13 4.860 3.595 -3.664 1.00 75.43 H new ATOM 0 HE2 TYR A 13 3.951 1.026 -0.394 1.00 44.14 H new ATOM 0 HH TYR A 13 2.719 3.496 -1.869 1.00 11.21 H new ATOM 190 N VAL A 14 8.541 2.755 1.334 1.00 42.34 N ATOM 191 CA VAL A 14 7.898 3.339 2.494 1.00 74.33 C ATOM 192 C VAL A 14 8.660 4.545 3.022 1.00 12.03 C ATOM 193 O VAL A 14 8.060 5.559 3.296 1.00 21.24 O ATOM 194 CB VAL A 14 7.645 2.311 3.632 1.00 64.14 C ATOM 195 CG1 VAL A 14 7.062 3.004 4.852 1.00 42.15 C ATOM 196 CG2 VAL A 14 6.694 1.220 3.165 1.00 51.42 C ATOM 0 H VAL A 14 8.903 1.814 1.489 1.00 42.34 H new ATOM 0 HA VAL A 14 6.922 3.678 2.146 1.00 74.33 H new ATOM 0 HB VAL A 14 8.600 1.859 3.899 1.00 64.14 H new ATOM 0 HG11 VAL A 14 6.891 2.271 5.640 1.00 42.15 H new ATOM 0 HG12 VAL A 14 7.760 3.762 5.208 1.00 42.15 H new ATOM 0 HG13 VAL A 14 6.117 3.477 4.585 1.00 42.15 H new ATOM 0 HG21 VAL A 14 6.529 0.510 3.975 1.00 51.42 H new ATOM 0 HG22 VAL A 14 5.743 1.666 2.874 1.00 51.42 H new ATOM 0 HG23 VAL A 14 7.127 0.701 2.310 1.00 51.42 H new ATOM 206 N ASN A 15 9.979 4.434 3.140 1.00 24.10 N ATOM 207 CA ASN A 15 10.839 5.500 3.602 1.00 62.25 C ATOM 208 C ASN A 15 10.667 6.735 2.729 1.00 54.54 C ATOM 209 O ASN A 15 10.693 7.884 3.213 1.00 42.41 O ATOM 210 CB ASN A 15 12.252 5.010 3.498 1.00 21.13 C ATOM 211 CG ASN A 15 13.253 5.944 4.049 1.00 53.25 C ATOM 212 OD1 ASN A 15 12.992 6.706 4.977 1.00 0.35 O ATOM 213 ND2 ASN A 15 14.393 5.900 3.493 1.00 21.13 N ATOM 0 H ASN A 15 10.484 3.578 2.910 1.00 24.10 H new ATOM 0 HA ASN A 15 10.589 5.770 4.628 1.00 62.25 H new ATOM 0 HB2 ASN A 15 12.334 4.056 4.019 1.00 21.13 H new ATOM 0 HB3 ASN A 15 12.484 4.821 2.450 1.00 21.13 H new ATOM 0 HD21 ASN A 15 15.141 6.515 3.814 1.00 21.13 H new ATOM 0 HD22 ASN A 15 14.561 5.250 2.725 1.00 21.13 H new ATOM 220 N LYS A 16 10.485 6.488 1.448 1.00 72.42 N ATOM 221 CA LYS A 16 10.219 7.516 0.492 1.00 12.12 C ATOM 222 C LYS A 16 8.907 8.214 0.860 1.00 43.54 C ATOM 223 O LYS A 16 8.853 9.430 0.916 1.00 32.54 O ATOM 224 CB LYS A 16 10.154 6.884 -0.888 1.00 74.44 C ATOM 225 CG LYS A 16 9.908 7.821 -2.026 1.00 63.12 C ATOM 226 CD LYS A 16 9.973 7.046 -3.312 1.00 51.42 C ATOM 227 CE LYS A 16 9.743 7.926 -4.511 1.00 50.53 C ATOM 228 NZ LYS A 16 9.931 7.191 -5.770 1.00 5.33 N ATOM 0 H LYS A 16 10.520 5.551 1.047 1.00 72.42 H new ATOM 0 HA LYS A 16 11.008 8.268 0.491 1.00 12.12 H new ATOM 0 HB2 LYS A 16 11.092 6.360 -1.071 1.00 74.44 H new ATOM 0 HB3 LYS A 16 9.365 6.132 -0.885 1.00 74.44 H new ATOM 0 HG2 LYS A 16 8.933 8.296 -1.920 1.00 63.12 H new ATOM 0 HG3 LYS A 16 10.652 8.618 -2.027 1.00 63.12 H new ATOM 0 HD2 LYS A 16 10.947 6.565 -3.397 1.00 51.42 H new ATOM 0 HD3 LYS A 16 9.226 6.253 -3.296 1.00 51.42 H new ATOM 0 HE2 LYS A 16 8.733 8.333 -4.475 1.00 50.53 H new ATOM 0 HE3 LYS A 16 10.429 8.772 -4.478 1.00 50.53 H new ATOM 0 HZ1 LYS A 16 9.781 7.834 -6.573 1.00 5.33 H new ATOM 0 HZ2 LYS A 16 10.898 6.809 -5.808 1.00 5.33 H new ATOM 0 HZ3 LYS A 16 9.248 6.409 -5.821 1.00 5.33 H new ATOM 242 N ILE A 17 7.878 7.426 1.170 1.00 35.13 N ATOM 243 CA ILE A 17 6.588 7.940 1.601 1.00 31.22 C ATOM 244 C ILE A 17 6.750 8.756 2.890 1.00 22.40 C ATOM 245 O ILE A 17 6.258 9.875 2.980 1.00 3.53 O ATOM 246 CB ILE A 17 5.596 6.791 1.894 1.00 11.40 C ATOM 247 CG1 ILE A 17 5.431 5.875 0.680 1.00 1.32 C ATOM 248 CG2 ILE A 17 4.259 7.365 2.312 1.00 62.42 C ATOM 249 CD1 ILE A 17 4.582 4.651 0.951 1.00 74.14 C ATOM 0 H ILE A 17 7.921 6.408 1.127 1.00 35.13 H new ATOM 0 HA ILE A 17 6.201 8.562 0.794 1.00 31.22 H new ATOM 0 HB ILE A 17 5.998 6.188 2.708 1.00 11.40 H new ATOM 0 HG12 ILE A 17 4.983 6.444 -0.135 1.00 1.32 H new ATOM 0 HG13 ILE A 17 6.416 5.555 0.341 1.00 1.32 H new ATOM 0 HG21 ILE A 17 3.562 6.552 2.518 1.00 62.42 H new ATOM 0 HG22 ILE A 17 4.387 7.969 3.210 1.00 62.42 H new ATOM 0 HG23 ILE A 17 3.863 7.988 1.509 1.00 62.42 H new ATOM 0 HD11 ILE A 17 4.510 4.050 0.044 1.00 74.14 H new ATOM 0 HD12 ILE A 17 5.040 4.059 1.744 1.00 74.14 H new ATOM 0 HD13 ILE A 17 3.584 4.962 1.260 1.00 74.14 H new ATOM 261 N LYS A 18 7.468 8.176 3.870 1.00 14.42 N ATOM 262 CA LYS A 18 7.713 8.793 5.172 1.00 44.10 C ATOM 263 C LYS A 18 8.267 10.195 4.992 1.00 61.11 C ATOM 264 O LYS A 18 7.890 11.086 5.678 1.00 0.45 O ATOM 265 CB LYS A 18 8.741 7.968 5.974 1.00 71.25 C ATOM 266 CG LYS A 18 8.389 6.509 6.102 1.00 52.42 C ATOM 267 CD LYS A 18 9.354 5.715 6.921 1.00 65.40 C ATOM 268 CE LYS A 18 9.093 5.957 8.349 1.00 4.43 C ATOM 269 NZ LYS A 18 9.900 5.078 9.220 1.00 11.23 N ATOM 0 H LYS A 18 7.896 7.255 3.771 1.00 14.42 H new ATOM 0 HA LYS A 18 6.765 8.830 5.709 1.00 44.10 H new ATOM 0 HB2 LYS A 18 9.716 8.055 5.494 1.00 71.25 H new ATOM 0 HB3 LYS A 18 8.837 8.397 6.971 1.00 71.25 H new ATOM 0 HG2 LYS A 18 7.397 6.424 6.546 1.00 52.42 H new ATOM 0 HG3 LYS A 18 8.331 6.072 5.105 1.00 52.42 H new ATOM 0 HD2 LYS A 18 9.253 4.653 6.696 1.00 65.40 H new ATOM 0 HD3 LYS A 18 10.377 5.997 6.673 1.00 65.40 H new ATOM 0 HE2 LYS A 18 9.311 6.999 8.585 1.00 4.43 H new ATOM 0 HE3 LYS A 18 8.035 5.798 8.555 1.00 4.43 H new ATOM 0 HZ1 LYS A 18 9.684 5.283 10.216 1.00 11.23 H new ATOM 0 HZ2 LYS A 18 9.674 4.084 9.014 1.00 11.23 H new ATOM 0 HZ3 LYS A 18 10.911 5.247 9.043 1.00 11.23 H new ATOM 283 N THR A 19 9.198 10.325 4.081 1.00 15.22 N ATOM 284 CA THR A 19 9.846 11.551 3.727 1.00 51.24 C ATOM 285 C THR A 19 8.931 12.490 2.883 1.00 23.20 C ATOM 286 O THR A 19 8.827 13.693 3.137 1.00 62.31 O ATOM 287 CB THR A 19 11.081 11.139 2.928 1.00 54.31 C ATOM 288 OG1 THR A 19 12.057 10.498 3.760 1.00 73.22 O ATOM 289 CG2 THR A 19 11.659 12.249 2.113 1.00 4.43 C ATOM 0 H THR A 19 9.539 9.531 3.540 1.00 15.22 H new ATOM 0 HA THR A 19 10.098 12.124 4.619 1.00 51.24 H new ATOM 0 HB THR A 19 10.743 10.401 2.201 1.00 54.31 H new ATOM 0 HG1 THR A 19 11.875 9.536 3.796 1.00 73.22 H new ATOM 0 HG21 THR A 19 12.533 11.886 1.572 1.00 4.43 H new ATOM 0 HG22 THR A 19 10.913 12.605 1.402 1.00 4.43 H new ATOM 0 HG23 THR A 19 11.953 13.068 2.770 1.00 4.43 H new ATOM 297 N ARG A 20 8.285 11.936 1.895 1.00 62.04 N ATOM 298 CA ARG A 20 7.463 12.703 0.978 1.00 64.41 C ATOM 299 C ARG A 20 6.217 13.239 1.630 1.00 40.45 C ATOM 300 O ARG A 20 5.635 14.211 1.173 1.00 14.04 O ATOM 301 CB ARG A 20 7.152 11.864 -0.245 1.00 33.31 C ATOM 302 CG ARG A 20 8.356 11.702 -1.162 1.00 62.13 C ATOM 303 CD ARG A 20 8.685 13.005 -1.846 1.00 75.31 C ATOM 304 NE ARG A 20 9.800 12.890 -2.777 1.00 23.12 N ATOM 305 CZ ARG A 20 10.403 13.931 -3.359 1.00 74.52 C ATOM 306 NH1 ARG A 20 10.079 15.170 -3.008 1.00 23.52 N ATOM 307 NH2 ARG A 20 11.350 13.730 -4.254 1.00 72.51 N ATOM 0 H ARG A 20 8.309 10.936 1.696 1.00 62.04 H new ATOM 0 HA ARG A 20 8.027 13.582 0.666 1.00 64.41 H new ATOM 0 HB2 ARG A 20 6.806 10.880 0.072 1.00 33.31 H new ATOM 0 HB3 ARG A 20 6.336 12.326 -0.800 1.00 33.31 H new ATOM 0 HG2 ARG A 20 9.216 11.362 -0.585 1.00 62.13 H new ATOM 0 HG3 ARG A 20 8.150 10.935 -1.909 1.00 62.13 H new ATOM 0 HD2 ARG A 20 7.805 13.360 -2.383 1.00 75.31 H new ATOM 0 HD3 ARG A 20 8.923 13.755 -1.092 1.00 75.31 H new ATOM 0 HE ARG A 20 10.142 11.955 -2.999 1.00 23.12 H new ATOM 0 HH11 ARG A 20 9.369 15.328 -2.293 1.00 23.52 H new ATOM 0 HH12 ARG A 20 10.540 15.963 -3.453 1.00 23.52 H new ATOM 0 HH21 ARG A 20 11.623 12.779 -4.503 1.00 72.51 H new ATOM 0 HH22 ARG A 20 11.810 14.525 -4.698 1.00 72.51 H new ATOM 321 N PHE A 21 5.825 12.609 2.689 1.00 43.22 N ATOM 322 CA PHE A 21 4.682 13.005 3.460 1.00 34.54 C ATOM 323 C PHE A 21 5.121 13.166 4.896 1.00 72.11 C ATOM 324 O PHE A 21 4.353 12.983 5.826 1.00 42.00 O ATOM 325 CB PHE A 21 3.573 11.951 3.318 1.00 73.14 C ATOM 326 CG PHE A 21 3.099 11.776 1.892 1.00 21.13 C ATOM 327 CD1 PHE A 21 3.722 10.880 1.039 1.00 43.50 C ATOM 328 CD2 PHE A 21 2.041 12.515 1.408 1.00 53.45 C ATOM 329 CE1 PHE A 21 3.296 10.726 -0.254 1.00 22.12 C ATOM 330 CE2 PHE A 21 1.607 12.365 0.108 1.00 52.42 C ATOM 331 CZ PHE A 21 2.234 11.467 -0.723 1.00 61.04 C ATOM 0 H PHE A 21 6.300 11.784 3.055 1.00 43.22 H new ATOM 0 HA PHE A 21 4.277 13.952 3.105 1.00 34.54 H new ATOM 0 HB2 PHE A 21 3.939 10.995 3.693 1.00 73.14 H new ATOM 0 HB3 PHE A 21 2.727 12.236 3.943 1.00 73.14 H new ATOM 0 HD1 PHE A 21 4.555 10.294 1.398 1.00 43.50 H new ATOM 0 HD2 PHE A 21 1.545 13.222 2.057 1.00 53.45 H new ATOM 0 HE1 PHE A 21 3.793 10.023 -0.906 1.00 22.12 H new ATOM 0 HE2 PHE A 21 0.777 12.951 -0.257 1.00 52.42 H new ATOM 0 HZ PHE A 21 1.895 11.343 -1.741 1.00 61.04 H new ATOM 341 N LEU A 22 6.359 13.612 5.044 1.00 31.12 N ATOM 342 CA LEU A 22 7.025 13.759 6.332 1.00 65.12 C ATOM 343 C LEU A 22 6.313 14.788 7.199 1.00 24.50 C ATOM 344 O LEU A 22 6.261 14.671 8.431 1.00 21.32 O ATOM 345 CB LEU A 22 8.493 14.181 6.090 1.00 0.21 C ATOM 346 CG LEU A 22 9.586 13.398 6.794 1.00 44.01 C ATOM 347 CD1 LEU A 22 10.952 13.991 6.508 1.00 12.35 C ATOM 348 CD2 LEU A 22 9.328 13.340 8.242 1.00 11.21 C ATOM 0 H LEU A 22 6.943 13.888 4.255 1.00 31.12 H new ATOM 0 HA LEU A 22 6.997 12.806 6.861 1.00 65.12 H new ATOM 0 HB2 LEU A 22 8.683 14.129 5.018 1.00 0.21 H new ATOM 0 HB3 LEU A 22 8.592 15.227 6.381 1.00 0.21 H new ATOM 0 HG LEU A 22 9.580 12.380 6.405 1.00 44.01 H new ATOM 0 HD11 LEU A 22 11.716 13.410 7.025 1.00 12.35 H new ATOM 0 HD12 LEU A 22 11.142 13.967 5.435 1.00 12.35 H new ATOM 0 HD13 LEU A 22 10.981 15.023 6.858 1.00 12.35 H new ATOM 0 HD21 LEU A 22 10.122 12.775 8.731 1.00 11.21 H new ATOM 0 HD22 LEU A 22 9.300 14.351 8.647 1.00 11.21 H new ATOM 0 HD23 LEU A 22 8.371 12.851 8.422 1.00 11.21 H new ATOM 360 N ASP A 23 5.750 15.773 6.561 1.00 14.52 N ATOM 361 CA ASP A 23 5.067 16.838 7.264 1.00 52.15 C ATOM 362 C ASP A 23 3.569 16.535 7.343 1.00 64.44 C ATOM 363 O ASP A 23 2.790 17.281 7.926 1.00 25.31 O ATOM 364 CB ASP A 23 5.336 18.175 6.559 1.00 24.24 C ATOM 365 CG ASP A 23 4.827 19.377 7.322 1.00 14.34 C ATOM 366 OD1 ASP A 23 5.409 19.719 8.379 1.00 43.15 O ATOM 367 OD2 ASP A 23 3.876 20.027 6.862 1.00 72.22 O ATOM 0 H ASP A 23 5.747 15.867 5.545 1.00 14.52 H new ATOM 0 HA ASP A 23 5.446 16.910 8.284 1.00 52.15 H new ATOM 0 HB2 ASP A 23 6.409 18.283 6.402 1.00 24.24 H new ATOM 0 HB3 ASP A 23 4.870 18.157 5.574 1.00 24.24 H new ATOM 372 N HIS A 24 3.174 15.397 6.796 1.00 53.00 N ATOM 373 CA HIS A 24 1.782 15.007 6.773 1.00 62.23 C ATOM 374 C HIS A 24 1.605 13.571 7.296 1.00 75.33 C ATOM 375 O HIS A 24 1.372 12.638 6.508 1.00 12.14 O ATOM 376 CB HIS A 24 1.218 15.107 5.354 1.00 10.34 C ATOM 377 CG HIS A 24 1.198 16.483 4.758 1.00 34.44 C ATOM 378 ND1 HIS A 24 2.163 16.967 3.906 1.00 73.01 N ATOM 379 CD2 HIS A 24 0.290 17.474 4.890 1.00 72.23 C ATOM 380 CE1 HIS A 24 1.825 18.208 3.558 1.00 71.42 C ATOM 381 NE2 HIS A 24 0.692 18.567 4.129 1.00 15.52 N ATOM 0 H HIS A 24 3.806 14.726 6.360 1.00 53.00 H new ATOM 0 HA HIS A 24 1.236 15.689 7.424 1.00 62.23 H new ATOM 0 HB2 HIS A 24 1.804 14.458 4.703 1.00 10.34 H new ATOM 0 HB3 HIS A 24 0.200 14.718 5.359 1.00 10.34 H new ATOM 0 HD2 HIS A 24 -0.606 17.426 5.491 1.00 72.23 H new ATOM 0 HE1 HIS A 24 2.402 18.836 2.896 1.00 71.42 H new ATOM 0 HE2 HIS A 24 0.210 19.461 4.033 1.00 15.52 H new ATOM 389 N PRO A 25 1.697 13.366 8.628 1.00 54.33 N ATOM 390 CA PRO A 25 1.597 12.027 9.245 1.00 24.25 C ATOM 391 C PRO A 25 0.226 11.390 9.003 1.00 32.22 C ATOM 392 O PRO A 25 0.092 10.164 8.945 1.00 35.10 O ATOM 393 CB PRO A 25 1.813 12.311 10.743 1.00 24.11 C ATOM 394 CG PRO A 25 2.504 13.627 10.777 1.00 13.14 C ATOM 395 CD PRO A 25 1.911 14.406 9.651 1.00 22.35 C ATOM 0 HA PRO A 25 2.316 11.321 8.829 1.00 24.25 H new ATOM 0 HB2 PRO A 25 0.866 12.346 11.281 1.00 24.11 H new ATOM 0 HB3 PRO A 25 2.417 11.534 11.211 1.00 24.11 H new ATOM 0 HG2 PRO A 25 2.347 14.131 11.731 1.00 13.14 H new ATOM 0 HG3 PRO A 25 3.581 13.510 10.652 1.00 13.14 H new ATOM 0 HD2 PRO A 25 0.978 14.891 9.939 1.00 22.35 H new ATOM 0 HD3 PRO A 25 2.583 15.189 9.300 1.00 22.35 H new ATOM 403 N GLU A 26 -0.776 12.242 8.816 1.00 75.25 N ATOM 404 CA GLU A 26 -2.134 11.829 8.542 1.00 34.23 C ATOM 405 C GLU A 26 -2.216 10.985 7.259 1.00 62.50 C ATOM 406 O GLU A 26 -2.922 9.982 7.211 1.00 21.42 O ATOM 407 CB GLU A 26 -3.036 13.063 8.432 1.00 22.31 C ATOM 408 CG GLU A 26 -2.618 14.027 7.344 1.00 25.24 C ATOM 409 CD GLU A 26 -3.500 15.238 7.246 1.00 34.41 C ATOM 410 OE1 GLU A 26 -3.217 16.232 7.926 1.00 32.22 O ATOM 411 OE2 GLU A 26 -4.492 15.210 6.476 1.00 52.42 O ATOM 0 H GLU A 26 -0.658 13.254 8.853 1.00 75.25 H new ATOM 0 HA GLU A 26 -2.477 11.205 9.367 1.00 34.23 H new ATOM 0 HB2 GLU A 26 -4.059 12.738 8.244 1.00 22.31 H new ATOM 0 HB3 GLU A 26 -3.038 13.587 9.388 1.00 22.31 H new ATOM 0 HG2 GLU A 26 -1.593 14.348 7.528 1.00 25.24 H new ATOM 0 HG3 GLU A 26 -2.622 13.506 6.387 1.00 25.24 H new ATOM 418 N ILE A 27 -1.438 11.363 6.260 1.00 23.45 N ATOM 419 CA ILE A 27 -1.462 10.710 4.975 1.00 43.01 C ATOM 420 C ILE A 27 -0.769 9.370 5.082 1.00 4.22 C ATOM 421 O ILE A 27 -1.252 8.363 4.572 1.00 75.43 O ATOM 422 CB ILE A 27 -0.786 11.594 3.912 1.00 33.20 C ATOM 423 CG1 ILE A 27 -1.466 12.967 3.930 1.00 33.42 C ATOM 424 CG2 ILE A 27 -0.878 10.947 2.518 1.00 45.32 C ATOM 425 CD1 ILE A 27 -0.927 13.938 2.933 1.00 3.41 C ATOM 0 H ILE A 27 -0.773 12.133 6.323 1.00 23.45 H new ATOM 0 HA ILE A 27 -2.496 10.550 4.668 1.00 43.01 H new ATOM 0 HB ILE A 27 0.274 11.705 4.140 1.00 33.20 H new ATOM 0 HG12 ILE A 27 -2.532 12.833 3.748 1.00 33.42 H new ATOM 0 HG13 ILE A 27 -1.365 13.396 4.927 1.00 33.42 H new ATOM 0 HG21 ILE A 27 -0.393 11.592 1.785 1.00 45.32 H new ATOM 0 HG22 ILE A 27 -0.381 9.977 2.534 1.00 45.32 H new ATOM 0 HG23 ILE A 27 -1.925 10.814 2.247 1.00 45.32 H new ATOM 0 HD11 ILE A 27 -1.466 14.882 3.016 1.00 3.41 H new ATOM 0 HD12 ILE A 27 0.132 14.107 3.126 1.00 3.41 H new ATOM 0 HD13 ILE A 27 -1.053 13.535 1.928 1.00 3.41 H new ATOM 437 N TYR A 28 0.333 9.370 5.811 1.00 21.23 N ATOM 438 CA TYR A 28 1.117 8.174 6.068 1.00 11.32 C ATOM 439 C TYR A 28 0.223 7.128 6.743 1.00 53.45 C ATOM 440 O TYR A 28 0.094 5.994 6.273 1.00 30.11 O ATOM 441 CB TYR A 28 2.268 8.532 7.014 1.00 11.33 C ATOM 442 CG TYR A 28 3.315 7.458 7.168 1.00 14.03 C ATOM 443 CD1 TYR A 28 4.219 7.188 6.153 1.00 71.13 C ATOM 444 CD2 TYR A 28 3.390 6.705 8.323 1.00 12.51 C ATOM 445 CE1 TYR A 28 5.156 6.201 6.288 1.00 71.42 C ATOM 446 CE2 TYR A 28 4.337 5.713 8.464 1.00 11.12 C ATOM 447 CZ TYR A 28 5.208 5.461 7.449 1.00 15.32 C ATOM 448 OH TYR A 28 6.156 4.480 7.598 1.00 63.22 O ATOM 0 H TYR A 28 0.713 10.210 6.246 1.00 21.23 H new ATOM 0 HA TYR A 28 1.512 7.777 5.133 1.00 11.32 H new ATOM 0 HB2 TYR A 28 2.749 9.440 6.651 1.00 11.33 H new ATOM 0 HB3 TYR A 28 1.855 8.761 7.996 1.00 11.33 H new ATOM 0 HD1 TYR A 28 4.183 7.766 5.241 1.00 71.13 H new ATOM 0 HD2 TYR A 28 2.696 6.896 9.128 1.00 12.51 H new ATOM 0 HE1 TYR A 28 5.853 6.002 5.487 1.00 71.42 H new ATOM 0 HE2 TYR A 28 4.388 5.138 9.377 1.00 11.12 H new ATOM 0 HH TYR A 28 6.053 4.056 8.476 1.00 63.22 H new ATOM 458 N ARG A 29 -0.422 7.560 7.814 1.00 22.51 N ATOM 459 CA ARG A 29 -1.300 6.754 8.619 1.00 21.22 C ATOM 460 C ARG A 29 -2.475 6.203 7.793 1.00 31.21 C ATOM 461 O ARG A 29 -2.807 5.016 7.881 1.00 64.12 O ATOM 462 CB ARG A 29 -1.837 7.627 9.725 1.00 12.44 C ATOM 463 CG ARG A 29 -2.618 6.900 10.769 1.00 63.12 C ATOM 464 CD ARG A 29 -3.203 7.883 11.751 1.00 44.25 C ATOM 465 NE ARG A 29 -3.914 7.231 12.863 1.00 75.23 N ATOM 466 CZ ARG A 29 -5.042 7.694 13.441 1.00 31.43 C ATOM 467 NH1 ARG A 29 -5.699 8.736 12.916 1.00 43.44 N ATOM 468 NH2 ARG A 29 -5.531 7.083 14.514 1.00 72.13 N ATOM 0 H ARG A 29 -0.340 8.519 8.152 1.00 22.51 H new ATOM 0 HA ARG A 29 -0.745 5.903 9.015 1.00 21.22 H new ATOM 0 HB2 ARG A 29 -1.002 8.137 10.205 1.00 12.44 H new ATOM 0 HB3 ARG A 29 -2.471 8.397 9.286 1.00 12.44 H new ATOM 0 HG2 ARG A 29 -3.415 6.321 10.302 1.00 63.12 H new ATOM 0 HG3 ARG A 29 -1.974 6.192 11.290 1.00 63.12 H new ATOM 0 HD2 ARG A 29 -2.404 8.506 12.153 1.00 44.25 H new ATOM 0 HD3 ARG A 29 -3.891 8.547 11.227 1.00 44.25 H new ATOM 0 HE ARG A 29 -3.523 6.361 13.225 1.00 75.23 H new ATOM 0 HH11 ARG A 29 -5.348 9.187 12.071 1.00 43.44 H new ATOM 0 HH12 ARG A 29 -6.551 9.078 13.361 1.00 43.44 H new ATOM 0 HH21 ARG A 29 -5.054 6.267 14.898 1.00 72.13 H new ATOM 0 HH22 ARG A 29 -6.383 7.430 14.954 1.00 72.13 H new ATOM 482 N SER A 30 -3.073 7.066 6.971 1.00 52.32 N ATOM 483 CA SER A 30 -4.227 6.692 6.161 1.00 52.03 C ATOM 484 C SER A 30 -3.855 5.628 5.144 1.00 24.12 C ATOM 485 O SER A 30 -4.669 4.824 4.743 1.00 2.14 O ATOM 486 CB SER A 30 -4.820 7.919 5.474 1.00 50.42 C ATOM 487 OG SER A 30 -5.229 8.889 6.434 1.00 73.33 O ATOM 0 H SER A 30 -2.773 8.033 6.850 1.00 52.32 H new ATOM 0 HA SER A 30 -4.985 6.271 6.822 1.00 52.03 H new ATOM 0 HB2 SER A 30 -4.083 8.356 4.801 1.00 50.42 H new ATOM 0 HB3 SER A 30 -5.673 7.623 4.864 1.00 50.42 H new ATOM 0 HG SER A 30 -4.447 9.204 6.934 1.00 73.33 H new ATOM 493 N PHE A 31 -2.627 5.642 4.723 1.00 10.42 N ATOM 494 CA PHE A 31 -2.153 4.642 3.825 1.00 64.32 C ATOM 495 C PHE A 31 -1.940 3.318 4.542 1.00 62.44 C ATOM 496 O PHE A 31 -2.332 2.250 4.051 1.00 12.04 O ATOM 497 CB PHE A 31 -0.871 5.087 3.170 1.00 42.32 C ATOM 498 CG PHE A 31 -0.211 3.980 2.457 1.00 41.14 C ATOM 499 CD1 PHE A 31 -0.787 3.455 1.320 1.00 24.14 C ATOM 500 CD2 PHE A 31 0.943 3.426 2.954 1.00 22.10 C ATOM 501 CE1 PHE A 31 -0.219 2.392 0.674 1.00 63.05 C ATOM 502 CE2 PHE A 31 1.533 2.356 2.325 1.00 11.31 C ATOM 503 CZ PHE A 31 0.951 1.829 1.176 1.00 42.11 C ATOM 0 H PHE A 31 -1.934 6.341 4.991 1.00 10.42 H new ATOM 0 HA PHE A 31 -2.912 4.496 3.056 1.00 64.32 H new ATOM 0 HB2 PHE A 31 -1.081 5.896 2.471 1.00 42.32 H new ATOM 0 HB3 PHE A 31 -0.196 5.487 3.926 1.00 42.32 H new ATOM 0 HD1 PHE A 31 -1.698 3.889 0.935 1.00 24.14 H new ATOM 0 HD2 PHE A 31 1.391 3.835 3.848 1.00 22.10 H new ATOM 0 HE1 PHE A 31 -0.675 1.992 -0.220 1.00 63.05 H new ATOM 0 HE2 PHE A 31 2.442 1.927 2.720 1.00 11.31 H new ATOM 0 HZ PHE A 31 1.405 0.987 0.676 1.00 42.11 H new ATOM 513 N LEU A 32 -1.297 3.401 5.678 1.00 74.12 N ATOM 514 CA LEU A 32 -0.971 2.258 6.502 1.00 14.23 C ATOM 515 C LEU A 32 -2.197 1.433 6.832 1.00 53.01 C ATOM 516 O LEU A 32 -2.139 0.184 6.849 1.00 24.30 O ATOM 517 CB LEU A 32 -0.301 2.748 7.768 1.00 22.22 C ATOM 518 CG LEU A 32 1.061 3.389 7.592 1.00 43.43 C ATOM 519 CD1 LEU A 32 1.588 3.799 8.928 1.00 32.14 C ATOM 520 CD2 LEU A 32 2.041 2.449 6.880 1.00 74.31 C ATOM 0 H LEU A 32 -0.976 4.287 6.069 1.00 74.12 H new ATOM 0 HA LEU A 32 -0.294 1.608 5.948 1.00 14.23 H new ATOM 0 HB2 LEU A 32 -0.961 3.470 8.249 1.00 22.22 H new ATOM 0 HB3 LEU A 32 -0.199 1.905 8.451 1.00 22.22 H new ATOM 0 HG LEU A 32 0.953 4.270 6.960 1.00 43.43 H new ATOM 0 HD11 LEU A 32 2.568 4.261 8.807 1.00 32.14 H new ATOM 0 HD12 LEU A 32 0.904 4.514 9.385 1.00 32.14 H new ATOM 0 HD13 LEU A 32 1.677 2.922 9.569 1.00 32.14 H new ATOM 0 HD21 LEU A 32 3.006 2.944 6.772 1.00 74.31 H new ATOM 0 HD22 LEU A 32 2.163 1.539 7.467 1.00 74.31 H new ATOM 0 HD23 LEU A 32 1.651 2.196 5.894 1.00 74.31 H new ATOM 532 N GLU A 33 -3.305 2.117 7.041 1.00 32.42 N ATOM 533 CA GLU A 33 -4.540 1.471 7.367 1.00 42.21 C ATOM 534 C GLU A 33 -5.028 0.621 6.178 1.00 61.43 C ATOM 535 O GLU A 33 -5.555 -0.462 6.367 1.00 42.35 O ATOM 536 CB GLU A 33 -5.589 2.508 7.804 1.00 54.33 C ATOM 537 CG GLU A 33 -6.328 3.238 6.682 1.00 1.14 C ATOM 538 CD GLU A 33 -7.310 4.257 7.208 1.00 65.43 C ATOM 539 OE1 GLU A 33 -8.415 3.870 7.626 1.00 32.23 O ATOM 540 OE2 GLU A 33 -7.008 5.461 7.222 1.00 44.43 O ATOM 0 H GLU A 33 -3.364 3.134 6.987 1.00 32.42 H new ATOM 0 HA GLU A 33 -4.380 0.796 8.208 1.00 42.21 H new ATOM 0 HB2 GLU A 33 -6.327 2.006 8.429 1.00 54.33 H new ATOM 0 HB3 GLU A 33 -5.095 3.252 8.429 1.00 54.33 H new ATOM 0 HG2 GLU A 33 -5.604 3.735 6.037 1.00 1.14 H new ATOM 0 HG3 GLU A 33 -6.858 2.511 6.066 1.00 1.14 H new ATOM 547 N ILE A 34 -4.753 1.093 4.959 1.00 53.35 N ATOM 548 CA ILE A 34 -5.165 0.445 3.745 1.00 1.45 C ATOM 549 C ILE A 34 -4.426 -0.860 3.559 1.00 72.44 C ATOM 550 O ILE A 34 -5.029 -1.855 3.239 1.00 52.32 O ATOM 551 CB ILE A 34 -4.924 1.379 2.531 1.00 74.41 C ATOM 552 CG1 ILE A 34 -5.767 2.641 2.679 1.00 61.33 C ATOM 553 CG2 ILE A 34 -5.209 0.667 1.206 1.00 44.10 C ATOM 554 CD1 ILE A 34 -5.439 3.720 1.688 1.00 52.21 C ATOM 0 H ILE A 34 -4.227 1.953 4.803 1.00 53.35 H new ATOM 0 HA ILE A 34 -6.231 0.228 3.815 1.00 1.45 H new ATOM 0 HB ILE A 34 -3.871 1.661 2.514 1.00 74.41 H new ATOM 0 HG12 ILE A 34 -6.819 2.376 2.575 1.00 61.33 H new ATOM 0 HG13 ILE A 34 -5.636 3.036 3.686 1.00 61.33 H new ATOM 0 HG21 ILE A 34 -5.029 1.353 0.378 1.00 44.10 H new ATOM 0 HG22 ILE A 34 -4.553 -0.198 1.109 1.00 44.10 H new ATOM 0 HG23 ILE A 34 -6.248 0.338 1.186 1.00 44.10 H new ATOM 0 HD11 ILE A 34 -6.083 4.582 1.862 1.00 52.21 H new ATOM 0 HD12 ILE A 34 -4.397 4.017 1.805 1.00 52.21 H new ATOM 0 HD13 ILE A 34 -5.599 3.346 0.677 1.00 52.21 H new ATOM 566 N LEU A 35 -3.135 -0.859 3.795 1.00 55.21 N ATOM 567 CA LEU A 35 -2.355 -2.079 3.623 1.00 24.20 C ATOM 568 C LEU A 35 -2.642 -3.112 4.677 1.00 45.23 C ATOM 569 O LEU A 35 -2.716 -4.305 4.367 1.00 22.40 O ATOM 570 CB LEU A 35 -0.862 -1.809 3.434 1.00 74.51 C ATOM 571 CG LEU A 35 -0.376 -1.790 1.971 1.00 21.54 C ATOM 572 CD1 LEU A 35 -0.377 -3.204 1.400 1.00 60.40 C ATOM 573 CD2 LEU A 35 -1.277 -0.908 1.116 1.00 3.31 C ATOM 0 H LEU A 35 -2.602 -0.045 4.102 1.00 55.21 H new ATOM 0 HA LEU A 35 -2.693 -2.519 2.685 1.00 24.20 H new ATOM 0 HB2 LEU A 35 -0.622 -0.849 3.892 1.00 74.51 H new ATOM 0 HB3 LEU A 35 -0.300 -2.570 3.976 1.00 74.51 H new ATOM 0 HG LEU A 35 0.637 -1.387 1.956 1.00 21.54 H new ATOM 0 HD11 LEU A 35 -0.032 -3.179 0.366 1.00 60.40 H new ATOM 0 HD12 LEU A 35 0.288 -3.835 1.989 1.00 60.40 H new ATOM 0 HD13 LEU A 35 -1.388 -3.610 1.436 1.00 60.40 H new ATOM 0 HD21 LEU A 35 -0.916 -0.908 0.087 1.00 3.31 H new ATOM 0 HD22 LEU A 35 -2.296 -1.294 1.144 1.00 3.31 H new ATOM 0 HD23 LEU A 35 -1.264 0.110 1.505 1.00 3.31 H new ATOM 585 N HIS A 36 -2.863 -2.665 5.904 1.00 51.40 N ATOM 586 CA HIS A 36 -3.240 -3.576 6.971 1.00 15.35 C ATOM 587 C HIS A 36 -4.598 -4.189 6.614 1.00 12.43 C ATOM 588 O HIS A 36 -4.797 -5.399 6.688 1.00 63.21 O ATOM 589 CB HIS A 36 -3.310 -2.831 8.316 1.00 63.23 C ATOM 590 CG HIS A 36 -3.586 -3.712 9.509 1.00 34.21 C ATOM 591 ND1 HIS A 36 -4.844 -3.948 10.026 1.00 63.33 N ATOM 592 CD2 HIS A 36 -2.729 -4.406 10.292 1.00 71.41 C ATOM 593 CE1 HIS A 36 -4.719 -4.750 11.077 1.00 63.33 C ATOM 594 NE2 HIS A 36 -3.450 -5.066 11.286 1.00 72.33 N ATOM 0 H HIS A 36 -2.789 -1.687 6.183 1.00 51.40 H new ATOM 0 HA HIS A 36 -2.495 -4.364 7.075 1.00 15.35 H new ATOM 0 HB2 HIS A 36 -2.367 -2.309 8.477 1.00 63.23 H new ATOM 0 HB3 HIS A 36 -4.088 -2.070 8.255 1.00 63.23 H new ATOM 0 HD2 HIS A 36 -1.657 -4.443 10.167 1.00 71.41 H new ATOM 0 HE1 HIS A 36 -5.543 -5.099 11.681 1.00 63.33 H new ATOM 0 HE2 HIS A 36 -3.078 -5.667 12.021 1.00 72.33 H new ATOM 602 N THR A 37 -5.485 -3.334 6.157 1.00 53.44 N ATOM 603 CA THR A 37 -6.796 -3.705 5.709 1.00 61.01 C ATOM 604 C THR A 37 -6.728 -4.666 4.523 1.00 72.31 C ATOM 605 O THR A 37 -7.435 -5.669 4.491 1.00 70.32 O ATOM 606 CB THR A 37 -7.586 -2.409 5.377 1.00 54.15 C ATOM 607 OG1 THR A 37 -8.181 -1.849 6.555 1.00 14.40 O ATOM 608 CG2 THR A 37 -8.580 -2.530 4.227 1.00 5.30 C ATOM 0 H THR A 37 -5.302 -2.333 6.087 1.00 53.44 H new ATOM 0 HA THR A 37 -7.320 -4.245 6.498 1.00 61.01 H new ATOM 0 HB THR A 37 -6.839 -1.710 5.001 1.00 54.15 H new ATOM 0 HG1 THR A 37 -7.570 -1.192 6.949 1.00 14.40 H new ATOM 0 HG21 THR A 37 -9.079 -1.573 4.075 1.00 5.30 H new ATOM 0 HG22 THR A 37 -8.051 -2.812 3.317 1.00 5.30 H new ATOM 0 HG23 THR A 37 -9.322 -3.292 4.466 1.00 5.30 H new ATOM 616 N TYR A 38 -5.848 -4.372 3.601 1.00 22.25 N ATOM 617 CA TYR A 38 -5.672 -5.148 2.414 1.00 24.02 C ATOM 618 C TYR A 38 -5.272 -6.575 2.774 1.00 33.20 C ATOM 619 O TYR A 38 -5.918 -7.534 2.354 1.00 71.44 O ATOM 620 CB TYR A 38 -4.611 -4.490 1.533 1.00 44.42 C ATOM 621 CG TYR A 38 -4.463 -5.096 0.181 1.00 41.23 C ATOM 622 CD1 TYR A 38 -5.399 -4.828 -0.773 1.00 23.33 C ATOM 623 CD2 TYR A 38 -3.390 -5.911 -0.148 1.00 50.12 C ATOM 624 CE1 TYR A 38 -5.291 -5.349 -2.056 1.00 4.43 C ATOM 625 CE2 TYR A 38 -3.264 -6.442 -1.420 1.00 61.32 C ATOM 626 CZ TYR A 38 -4.220 -6.151 -2.373 1.00 33.35 C ATOM 627 OH TYR A 38 -4.107 -6.670 -3.648 1.00 61.04 O ATOM 0 H TYR A 38 -5.223 -3.568 3.662 1.00 22.25 H new ATOM 0 HA TYR A 38 -6.611 -5.191 1.862 1.00 24.02 H new ATOM 0 HB2 TYR A 38 -4.857 -3.434 1.418 1.00 44.42 H new ATOM 0 HB3 TYR A 38 -3.650 -4.540 2.046 1.00 44.42 H new ATOM 0 HD1 TYR A 38 -6.241 -4.198 -0.526 1.00 23.33 H new ATOM 0 HD2 TYR A 38 -2.642 -6.134 0.599 1.00 50.12 H new ATOM 0 HE1 TYR A 38 -6.042 -5.126 -2.799 1.00 4.43 H new ATOM 0 HE2 TYR A 38 -2.426 -7.078 -1.665 1.00 61.32 H new ATOM 0 HH TYR A 38 -4.715 -6.193 -4.250 1.00 61.04 H new ATOM 637 N GLN A 39 -4.250 -6.699 3.603 1.00 22.41 N ATOM 638 CA GLN A 39 -3.747 -8.000 4.028 1.00 14.23 C ATOM 639 C GLN A 39 -4.813 -8.788 4.778 1.00 0.33 C ATOM 640 O GLN A 39 -4.961 -10.002 4.589 1.00 35.20 O ATOM 641 CB GLN A 39 -2.513 -7.830 4.906 1.00 3.12 C ATOM 642 CG GLN A 39 -1.361 -7.156 4.194 1.00 53.03 C ATOM 643 CD GLN A 39 -0.856 -7.940 3.002 1.00 23.33 C ATOM 644 OE1 GLN A 39 -0.904 -9.171 2.979 1.00 52.45 O ATOM 645 NE2 GLN A 39 -0.380 -7.248 2.011 1.00 34.25 N ATOM 0 H GLN A 39 -3.745 -5.907 4.001 1.00 22.41 H new ATOM 0 HA GLN A 39 -3.476 -8.560 3.133 1.00 14.23 H new ATOM 0 HB2 GLN A 39 -2.780 -7.245 5.786 1.00 3.12 H new ATOM 0 HB3 GLN A 39 -2.190 -8.809 5.260 1.00 3.12 H new ATOM 0 HG2 GLN A 39 -1.676 -6.166 3.863 1.00 53.03 H new ATOM 0 HG3 GLN A 39 -0.542 -7.011 4.898 1.00 53.03 H new ATOM 0 HE21 GLN A 39 -0.356 -6.230 2.065 1.00 34.25 H new ATOM 0 HE22 GLN A 39 -0.030 -7.723 1.179 1.00 34.25 H new ATOM 654 N LYS A 40 -5.571 -8.091 5.598 1.00 13.15 N ATOM 655 CA LYS A 40 -6.611 -8.701 6.400 1.00 31.12 C ATOM 656 C LYS A 40 -7.878 -9.012 5.633 1.00 72.24 C ATOM 657 O LYS A 40 -8.735 -9.738 6.127 1.00 24.44 O ATOM 658 CB LYS A 40 -6.926 -7.880 7.637 1.00 75.14 C ATOM 659 CG LYS A 40 -6.001 -8.180 8.808 1.00 43.21 C ATOM 660 CD LYS A 40 -4.547 -7.829 8.535 1.00 72.25 C ATOM 661 CE LYS A 40 -3.672 -8.120 9.743 1.00 13.40 C ATOM 662 NZ LYS A 40 -2.237 -7.889 9.474 1.00 52.03 N ATOM 0 H LYS A 40 -5.483 -7.083 5.728 1.00 13.15 H new ATOM 0 HA LYS A 40 -6.197 -9.660 6.711 1.00 31.12 H new ATOM 0 HB2 LYS A 40 -6.856 -6.821 7.389 1.00 75.14 H new ATOM 0 HB3 LYS A 40 -7.956 -8.070 7.938 1.00 75.14 H new ATOM 0 HG2 LYS A 40 -6.343 -7.626 9.682 1.00 43.21 H new ATOM 0 HG3 LYS A 40 -6.071 -9.239 9.054 1.00 43.21 H new ATOM 0 HD2 LYS A 40 -4.188 -8.399 7.678 1.00 72.25 H new ATOM 0 HD3 LYS A 40 -4.469 -6.774 8.272 1.00 72.25 H new ATOM 0 HE2 LYS A 40 -3.988 -7.491 10.576 1.00 13.40 H new ATOM 0 HE3 LYS A 40 -3.818 -9.155 10.052 1.00 13.40 H new ATOM 0 HZ1 LYS A 40 -1.685 -8.102 10.329 1.00 52.03 H new ATOM 0 HZ2 LYS A 40 -1.925 -8.507 8.698 1.00 52.03 H new ATOM 0 HZ3 LYS A 40 -2.090 -6.895 9.205 1.00 52.03 H new ATOM 676 N GLU A 41 -8.032 -8.445 4.468 1.00 53.22 N ATOM 677 CA GLU A 41 -9.211 -8.704 3.672 1.00 23.10 C ATOM 678 C GLU A 41 -8.937 -9.811 2.663 1.00 21.53 C ATOM 679 O GLU A 41 -9.726 -10.756 2.522 1.00 12.10 O ATOM 680 CB GLU A 41 -9.646 -7.445 2.925 1.00 64.02 C ATOM 681 CG GLU A 41 -11.010 -7.567 2.272 1.00 74.42 C ATOM 682 CD GLU A 41 -12.131 -7.579 3.282 1.00 51.33 C ATOM 683 OE1 GLU A 41 -12.370 -8.623 3.943 1.00 71.22 O ATOM 684 OE2 GLU A 41 -12.804 -6.552 3.428 1.00 42.10 O ATOM 0 H GLU A 41 -7.362 -7.802 4.046 1.00 53.22 H new ATOM 0 HA GLU A 41 -10.009 -9.014 4.347 1.00 23.10 H new ATOM 0 HB2 GLU A 41 -9.659 -6.606 3.621 1.00 64.02 H new ATOM 0 HB3 GLU A 41 -8.906 -7.213 2.160 1.00 64.02 H new ATOM 0 HG2 GLU A 41 -11.155 -6.736 1.582 1.00 74.42 H new ATOM 0 HG3 GLU A 41 -11.047 -8.482 1.681 1.00 74.42 H new ATOM 691 N GLN A 42 -7.809 -9.703 1.988 1.00 51.42 N ATOM 692 CA GLN A 42 -7.469 -10.613 0.913 1.00 43.32 C ATOM 693 C GLN A 42 -7.125 -12.006 1.436 1.00 54.23 C ATOM 694 O GLN A 42 -7.653 -13.000 0.963 1.00 5.23 O ATOM 695 CB GLN A 42 -6.300 -10.066 0.087 1.00 4.33 C ATOM 696 CG GLN A 42 -6.480 -8.628 -0.403 1.00 3.54 C ATOM 697 CD GLN A 42 -7.701 -8.406 -1.268 1.00 73.02 C ATOM 698 OE1 GLN A 42 -8.131 -9.281 -2.000 1.00 73.33 O ATOM 699 NE2 GLN A 42 -8.269 -7.238 -1.169 1.00 65.22 N ATOM 0 H GLN A 42 -7.106 -8.986 2.168 1.00 51.42 H new ATOM 0 HA GLN A 42 -8.349 -10.698 0.276 1.00 43.32 H new ATOM 0 HB2 GLN A 42 -5.392 -10.120 0.688 1.00 4.33 H new ATOM 0 HB3 GLN A 42 -6.149 -10.713 -0.777 1.00 4.33 H new ATOM 0 HG2 GLN A 42 -6.539 -7.968 0.462 1.00 3.54 H new ATOM 0 HG3 GLN A 42 -5.594 -8.336 -0.967 1.00 3.54 H new ATOM 0 HE21 GLN A 42 -7.878 -6.532 -0.545 1.00 65.22 H new ATOM 0 HE22 GLN A 42 -9.104 -7.029 -1.716 1.00 65.22 H new ATOM 708 N LEU A 43 -6.273 -12.072 2.430 1.00 54.31 N ATOM 709 CA LEU A 43 -5.810 -13.358 2.923 1.00 42.22 C ATOM 710 C LEU A 43 -6.760 -13.965 3.949 1.00 22.24 C ATOM 711 O LEU A 43 -6.670 -13.680 5.153 1.00 23.34 O ATOM 712 CB LEU A 43 -4.364 -13.304 3.481 1.00 4.33 C ATOM 713 CG LEU A 43 -3.202 -13.169 2.489 1.00 12.31 C ATOM 714 CD1 LEU A 43 -3.191 -14.339 1.567 1.00 53.43 C ATOM 715 CD2 LEU A 43 -3.271 -11.872 1.711 1.00 21.44 C ATOM 0 H LEU A 43 -5.886 -11.262 2.914 1.00 54.31 H new ATOM 0 HA LEU A 43 -5.798 -14.013 2.052 1.00 42.22 H new ATOM 0 HB2 LEU A 43 -4.307 -12.465 4.174 1.00 4.33 H new ATOM 0 HB3 LEU A 43 -4.199 -14.210 4.063 1.00 4.33 H new ATOM 0 HG LEU A 43 -2.272 -13.149 3.057 1.00 12.31 H new ATOM 0 HD11 LEU A 43 -2.364 -14.240 0.863 1.00 53.43 H new ATOM 0 HD12 LEU A 43 -3.069 -15.256 2.144 1.00 53.43 H new ATOM 0 HD13 LEU A 43 -4.132 -14.378 1.018 1.00 53.43 H new ATOM 0 HD21 LEU A 43 -2.430 -11.817 1.020 1.00 21.44 H new ATOM 0 HD22 LEU A 43 -4.205 -11.834 1.150 1.00 21.44 H new ATOM 0 HD23 LEU A 43 -3.228 -11.030 2.402 1.00 21.44 H new ATOM 727 N HIS A 44 -7.671 -14.779 3.472 1.00 20.33 N ATOM 728 CA HIS A 44 -8.639 -15.466 4.319 1.00 75.12 C ATOM 729 C HIS A 44 -8.623 -16.966 4.118 1.00 41.44 C ATOM 730 O HIS A 44 -8.808 -17.453 2.995 1.00 22.34 O ATOM 731 CB HIS A 44 -10.063 -14.950 4.099 1.00 33.51 C ATOM 732 CG HIS A 44 -10.458 -13.811 4.977 1.00 23.22 C ATOM 733 ND1 HIS A 44 -10.488 -12.496 4.587 1.00 11.14 N ATOM 734 CD2 HIS A 44 -10.902 -13.830 6.256 1.00 13.43 C ATOM 735 CE1 HIS A 44 -10.939 -11.772 5.606 1.00 51.44 C ATOM 736 NE2 HIS A 44 -11.209 -12.536 6.653 1.00 22.30 N ATOM 0 H HIS A 44 -7.769 -14.990 2.479 1.00 20.33 H new ATOM 0 HA HIS A 44 -8.333 -15.248 5.342 1.00 75.12 H new ATOM 0 HB2 HIS A 44 -10.166 -14.641 3.059 1.00 33.51 H new ATOM 0 HB3 HIS A 44 -10.761 -15.772 4.258 1.00 33.51 H new ATOM 0 HD1 HIS A 44 -10.212 -12.136 3.673 1.00 11.14 H new ATOM 0 HD2 HIS A 44 -11.002 -14.713 6.870 1.00 13.43 H new ATOM 0 HE1 HIS A 44 -11.068 -10.700 5.583 1.00 51.44 H new ATOM 744 N THR A 45 -8.382 -17.678 5.207 1.00 63.24 N ATOM 745 CA THR A 45 -8.459 -19.135 5.296 1.00 22.25 C ATOM 746 C THR A 45 -7.420 -19.868 4.444 1.00 33.42 C ATOM 747 O THR A 45 -6.390 -20.304 4.951 1.00 23.04 O ATOM 748 CB THR A 45 -9.887 -19.638 4.965 1.00 12.54 C ATOM 749 OG1 THR A 45 -10.857 -18.818 5.663 1.00 31.15 O ATOM 750 CG2 THR A 45 -10.072 -21.087 5.402 1.00 61.15 C ATOM 0 H THR A 45 -8.116 -17.243 6.091 1.00 63.24 H new ATOM 0 HA THR A 45 -8.222 -19.376 6.332 1.00 22.25 H new ATOM 0 HB THR A 45 -10.031 -19.572 3.887 1.00 12.54 H new ATOM 0 HG1 THR A 45 -11.762 -19.132 5.455 1.00 31.15 H new ATOM 0 HG21 THR A 45 -11.083 -21.414 5.158 1.00 61.15 H new ATOM 0 HG22 THR A 45 -9.351 -21.718 4.883 1.00 61.15 H new ATOM 0 HG23 THR A 45 -9.915 -21.165 6.478 1.00 61.15 H new ATOM 758 N LYS A 46 -7.676 -19.948 3.172 1.00 0.35 N ATOM 759 CA LYS A 46 -6.874 -20.744 2.272 1.00 62.32 C ATOM 760 C LYS A 46 -7.083 -20.283 0.830 1.00 73.31 C ATOM 761 O LYS A 46 -6.135 -20.185 0.057 1.00 0.24 O ATOM 762 CB LYS A 46 -7.219 -22.239 2.464 1.00 70.14 C ATOM 763 CG LYS A 46 -8.687 -22.599 2.222 1.00 44.03 C ATOM 764 CD LYS A 46 -8.967 -24.063 2.506 1.00 44.41 C ATOM 765 CE LYS A 46 -10.442 -24.396 2.311 1.00 62.12 C ATOM 766 NZ LYS A 46 -10.724 -25.819 2.578 1.00 74.00 N ATOM 0 H LYS A 46 -8.451 -19.462 2.720 1.00 0.35 H new ATOM 0 HA LYS A 46 -5.816 -20.612 2.499 1.00 62.32 H new ATOM 0 HB2 LYS A 46 -6.599 -22.829 1.789 1.00 70.14 H new ATOM 0 HB3 LYS A 46 -6.951 -22.531 3.479 1.00 70.14 H new ATOM 0 HG2 LYS A 46 -9.322 -21.979 2.855 1.00 44.03 H new ATOM 0 HG3 LYS A 46 -8.950 -22.373 1.189 1.00 44.03 H new ATOM 0 HD2 LYS A 46 -8.362 -24.685 1.847 1.00 44.41 H new ATOM 0 HD3 LYS A 46 -8.671 -24.300 3.528 1.00 44.41 H new ATOM 0 HE2 LYS A 46 -11.045 -23.776 2.974 1.00 62.12 H new ATOM 0 HE3 LYS A 46 -10.737 -24.153 1.290 1.00 62.12 H new ATOM 0 HZ1 LYS A 46 -11.737 -26.005 2.434 1.00 74.00 H new ATOM 0 HZ2 LYS A 46 -10.168 -26.411 1.928 1.00 74.00 H new ATOM 0 HZ3 LYS A 46 -10.466 -26.046 3.560 1.00 74.00 H new ATOM 780 N GLY A 47 -8.321 -19.990 0.489 1.00 2.51 N ATOM 781 CA GLY A 47 -8.645 -19.472 -0.809 1.00 34.24 C ATOM 782 C GLY A 47 -9.322 -18.151 -0.646 1.00 65.32 C ATOM 783 O GLY A 47 -10.266 -18.041 0.146 1.00 15.14 O ATOM 0 H GLY A 47 -9.124 -20.107 1.107 1.00 2.51 H new ATOM 0 HA2 GLY A 47 -7.741 -19.361 -1.407 1.00 34.24 H new ATOM 0 HA3 GLY A 47 -9.296 -20.166 -1.341 1.00 34.24 H new ATOM 787 N ARG A 48 -8.837 -17.149 -1.334 1.00 1.41 N ATOM 788 CA ARG A 48 -9.355 -15.806 -1.184 1.00 45.52 C ATOM 789 C ARG A 48 -10.791 -15.666 -1.657 1.00 42.31 C ATOM 790 O ARG A 48 -11.155 -16.117 -2.756 1.00 24.52 O ATOM 791 CB ARG A 48 -8.477 -14.772 -1.890 1.00 20.21 C ATOM 792 CG ARG A 48 -9.014 -13.347 -1.786 1.00 33.41 C ATOM 793 CD ARG A 48 -8.094 -12.340 -2.415 1.00 52.11 C ATOM 794 NE ARG A 48 -7.896 -12.568 -3.841 1.00 3.53 N ATOM 795 CZ ARG A 48 -7.376 -11.674 -4.690 1.00 4.41 C ATOM 796 NH1 ARG A 48 -7.173 -10.416 -4.305 1.00 75.34 N ATOM 797 NH2 ARG A 48 -7.133 -12.032 -5.936 1.00 22.32 N ATOM 0 H ARG A 48 -8.078 -17.236 -2.010 1.00 1.41 H new ATOM 0 HA ARG A 48 -9.338 -15.611 -0.112 1.00 45.52 H new ATOM 0 HB2 ARG A 48 -7.474 -14.806 -1.464 1.00 20.21 H new ATOM 0 HB3 ARG A 48 -8.386 -15.042 -2.942 1.00 20.21 H new ATOM 0 HG2 ARG A 48 -9.990 -13.294 -2.268 1.00 33.41 H new ATOM 0 HG3 ARG A 48 -9.162 -13.093 -0.736 1.00 33.41 H new ATOM 0 HD2 ARG A 48 -8.501 -11.340 -2.265 1.00 52.11 H new ATOM 0 HD3 ARG A 48 -7.129 -12.371 -1.909 1.00 52.11 H new ATOM 0 HE ARG A 48 -8.174 -13.474 -4.219 1.00 3.53 H new ATOM 0 HH11 ARG A 48 -7.414 -10.128 -3.357 1.00 75.34 H new ATOM 0 HH12 ARG A 48 -6.776 -9.740 -4.958 1.00 75.34 H new ATOM 0 HH21 ARG A 48 -7.341 -12.982 -6.244 1.00 22.32 H new ATOM 0 HH22 ARG A 48 -6.737 -11.359 -6.592 1.00 22.32 H new ATOM 811 N PRO A 49 -11.625 -15.074 -0.818 1.00 43.50 N ATOM 812 CA PRO A 49 -12.969 -14.714 -1.179 1.00 72.43 C ATOM 813 C PRO A 49 -12.935 -13.427 -1.976 1.00 55.33 C ATOM 814 O PRO A 49 -12.539 -12.363 -1.474 1.00 12.22 O ATOM 815 CB PRO A 49 -13.659 -14.506 0.171 1.00 53.44 C ATOM 816 CG PRO A 49 -12.564 -14.079 1.092 1.00 21.12 C ATOM 817 CD PRO A 49 -11.303 -14.709 0.573 1.00 64.31 C ATOM 0 HA PRO A 49 -13.480 -15.456 -1.792 1.00 72.43 H new ATOM 0 HB2 PRO A 49 -14.439 -13.748 0.105 1.00 53.44 H new ATOM 0 HB3 PRO A 49 -14.134 -15.423 0.519 1.00 53.44 H new ATOM 0 HG2 PRO A 49 -12.475 -12.993 1.113 1.00 21.12 H new ATOM 0 HG3 PRO A 49 -12.767 -14.402 2.113 1.00 21.12 H new ATOM 0 HD2 PRO A 49 -10.464 -14.015 0.618 1.00 64.31 H new ATOM 0 HD3 PRO A 49 -11.025 -15.584 1.160 1.00 64.31 H new ATOM 825 N PHE A 50 -13.296 -13.513 -3.210 1.00 42.52 N ATOM 826 CA PHE A 50 -13.264 -12.366 -4.044 1.00 13.52 C ATOM 827 C PHE A 50 -14.571 -11.602 -3.896 1.00 23.53 C ATOM 828 O PHE A 50 -15.528 -11.781 -4.676 1.00 52.04 O ATOM 829 CB PHE A 50 -12.964 -12.748 -5.490 1.00 43.50 C ATOM 830 CG PHE A 50 -12.552 -11.581 -6.364 1.00 24.33 C ATOM 831 CD1 PHE A 50 -13.493 -10.826 -7.053 1.00 54.34 C ATOM 832 CD2 PHE A 50 -11.213 -11.243 -6.488 1.00 3.31 C ATOM 833 CE1 PHE A 50 -13.104 -9.760 -7.842 1.00 44.21 C ATOM 834 CE2 PHE A 50 -10.820 -10.179 -7.275 1.00 1.24 C ATOM 835 CZ PHE A 50 -11.766 -9.436 -7.954 1.00 54.53 C ATOM 0 H PHE A 50 -13.617 -14.369 -3.663 1.00 42.52 H new ATOM 0 HA PHE A 50 -12.453 -11.707 -3.733 1.00 13.52 H new ATOM 0 HB2 PHE A 50 -12.170 -13.494 -5.500 1.00 43.50 H new ATOM 0 HB3 PHE A 50 -13.848 -13.217 -5.922 1.00 43.50 H new ATOM 0 HD1 PHE A 50 -14.541 -11.075 -6.971 1.00 54.34 H new ATOM 0 HD2 PHE A 50 -10.467 -11.820 -5.962 1.00 3.31 H new ATOM 0 HE1 PHE A 50 -13.846 -9.180 -8.371 1.00 44.21 H new ATOM 0 HE2 PHE A 50 -9.773 -9.928 -7.360 1.00 1.24 H new ATOM 0 HZ PHE A 50 -11.460 -8.604 -8.571 1.00 54.53 H new ATOM 845 N ARG A 51 -14.636 -10.889 -2.795 1.00 53.15 N ATOM 846 CA ARG A 51 -15.722 -10.021 -2.427 1.00 41.12 C ATOM 847 C ARG A 51 -15.212 -9.274 -1.215 1.00 63.00 C ATOM 848 O ARG A 51 -14.872 -9.893 -0.199 1.00 63.11 O ATOM 849 CB ARG A 51 -16.987 -10.833 -2.055 1.00 3.04 C ATOM 850 CG ARG A 51 -18.320 -10.086 -2.191 1.00 74.24 C ATOM 851 CD ARG A 51 -18.413 -8.862 -1.309 1.00 63.30 C ATOM 852 NE ARG A 51 -18.376 -9.188 0.121 1.00 22.03 N ATOM 853 CZ ARG A 51 -18.245 -8.301 1.114 1.00 71.14 C ATOM 854 NH1 ARG A 51 -18.065 -7.011 0.844 1.00 72.14 N ATOM 855 NH2 ARG A 51 -18.299 -8.710 2.382 1.00 61.11 N ATOM 0 H ARG A 51 -13.891 -10.902 -2.098 1.00 53.15 H new ATOM 0 HA ARG A 51 -16.009 -9.361 -3.245 1.00 41.12 H new ATOM 0 HB2 ARG A 51 -17.024 -11.722 -2.684 1.00 3.04 H new ATOM 0 HB3 ARG A 51 -16.887 -11.175 -1.025 1.00 3.04 H new ATOM 0 HG2 ARG A 51 -18.457 -9.787 -3.230 1.00 74.24 H new ATOM 0 HG3 ARG A 51 -19.136 -10.765 -1.945 1.00 74.24 H new ATOM 0 HD2 ARG A 51 -17.590 -8.187 -1.544 1.00 63.30 H new ATOM 0 HD3 ARG A 51 -19.337 -8.329 -1.532 1.00 63.30 H new ATOM 0 HE ARG A 51 -18.457 -10.171 0.379 1.00 22.03 H new ATOM 0 HH11 ARG A 51 -18.026 -6.693 -0.124 1.00 72.14 H new ATOM 0 HH12 ARG A 51 -17.966 -6.340 1.605 1.00 72.14 H new ATOM 0 HH21 ARG A 51 -18.440 -9.698 2.594 1.00 61.11 H new ATOM 0 HH22 ARG A 51 -18.199 -8.035 3.140 1.00 61.11 H new ATOM 869 N GLY A 52 -15.132 -7.992 -1.324 1.00 35.24 N ATOM 870 CA GLY A 52 -14.583 -7.200 -0.277 1.00 23.22 C ATOM 871 C GLY A 52 -13.882 -6.063 -0.860 1.00 75.01 C ATOM 872 O GLY A 52 -14.353 -5.487 -1.842 1.00 14.45 O ATOM 0 H GLY A 52 -15.444 -7.464 -2.139 1.00 35.24 H new ATOM 0 HA2 GLY A 52 -15.374 -6.854 0.388 1.00 23.22 H new ATOM 0 HA3 GLY A 52 -13.898 -7.796 0.326 1.00 23.22 H new ATOM 876 N MET A 53 -12.771 -5.755 -0.297 1.00 63.50 N ATOM 877 CA MET A 53 -11.941 -4.697 -0.739 1.00 51.04 C ATOM 878 C MET A 53 -11.362 -5.079 -2.094 1.00 61.34 C ATOM 879 O MET A 53 -10.487 -5.948 -2.180 1.00 20.04 O ATOM 880 CB MET A 53 -10.828 -4.554 0.257 1.00 2.54 C ATOM 881 CG MET A 53 -10.109 -3.245 0.216 1.00 12.24 C ATOM 882 SD MET A 53 -8.550 -3.340 1.106 1.00 3.32 S ATOM 883 CE MET A 53 -8.032 -1.616 1.142 1.00 75.21 C ATOM 0 H MET A 53 -12.402 -6.252 0.514 1.00 63.50 H new ATOM 0 HA MET A 53 -12.495 -3.763 -0.828 1.00 51.04 H new ATOM 0 HB2 MET A 53 -11.236 -4.696 1.258 1.00 2.54 H new ATOM 0 HB3 MET A 53 -10.106 -5.353 0.090 1.00 2.54 H new ATOM 0 HG2 MET A 53 -9.924 -2.960 -0.820 1.00 12.24 H new ATOM 0 HG3 MET A 53 -10.735 -2.468 0.654 1.00 12.24 H new ATOM 0 HE1 MET A 53 -6.963 -1.562 1.348 1.00 75.21 H new ATOM 0 HE2 MET A 53 -8.240 -1.153 0.177 1.00 75.21 H new ATOM 0 HE3 MET A 53 -8.579 -1.088 1.923 1.00 75.21 H new ATOM 893 N SER A 54 -11.879 -4.499 -3.137 1.00 34.44 N ATOM 894 CA SER A 54 -11.406 -4.797 -4.457 1.00 31.32 C ATOM 895 C SER A 54 -10.051 -4.161 -4.635 1.00 25.21 C ATOM 896 O SER A 54 -9.799 -3.103 -4.071 1.00 72.13 O ATOM 897 CB SER A 54 -12.389 -4.252 -5.496 1.00 32.24 C ATOM 898 OG SER A 54 -11.937 -4.477 -6.826 1.00 23.10 O ATOM 0 H SER A 54 -12.633 -3.813 -3.099 1.00 34.44 H new ATOM 0 HA SER A 54 -11.326 -5.876 -4.593 1.00 31.32 H new ATOM 0 HB2 SER A 54 -13.361 -4.725 -5.359 1.00 32.24 H new ATOM 0 HB3 SER A 54 -12.529 -3.183 -5.337 1.00 32.24 H new ATOM 0 HG SER A 54 -12.592 -4.117 -7.460 1.00 23.10 H new ATOM 904 N GLU A 55 -9.202 -4.765 -5.448 1.00 43.11 N ATOM 905 CA GLU A 55 -7.891 -4.274 -5.692 1.00 41.41 C ATOM 906 C GLU A 55 -7.974 -2.888 -6.321 1.00 35.54 C ATOM 907 O GLU A 55 -7.134 -2.029 -6.064 1.00 61.33 O ATOM 908 CB GLU A 55 -7.169 -5.241 -6.598 1.00 20.34 C ATOM 909 CG GLU A 55 -5.762 -4.851 -6.861 1.00 72.43 C ATOM 910 CD GLU A 55 -5.073 -5.768 -7.821 1.00 20.32 C ATOM 911 OE1 GLU A 55 -4.551 -6.809 -7.393 1.00 70.21 O ATOM 912 OE2 GLU A 55 -5.020 -5.452 -9.028 1.00 52.43 O ATOM 0 H GLU A 55 -9.424 -5.621 -5.956 1.00 43.11 H new ATOM 0 HA GLU A 55 -7.337 -4.188 -4.757 1.00 41.41 H new ATOM 0 HB2 GLU A 55 -7.187 -6.234 -6.148 1.00 20.34 H new ATOM 0 HB3 GLU A 55 -7.704 -5.311 -7.545 1.00 20.34 H new ATOM 0 HG2 GLU A 55 -5.740 -3.836 -7.257 1.00 72.43 H new ATOM 0 HG3 GLU A 55 -5.212 -4.838 -5.920 1.00 72.43 H new ATOM 919 N GLU A 56 -9.023 -2.668 -7.101 1.00 21.24 N ATOM 920 CA GLU A 56 -9.260 -1.388 -7.701 1.00 3.42 C ATOM 921 C GLU A 56 -9.539 -0.334 -6.630 1.00 54.34 C ATOM 922 O GLU A 56 -8.985 0.748 -6.683 1.00 71.43 O ATOM 923 CB GLU A 56 -10.420 -1.433 -8.679 1.00 12.31 C ATOM 924 CG GLU A 56 -10.613 -0.116 -9.399 1.00 31.42 C ATOM 925 CD GLU A 56 -11.834 -0.081 -10.247 1.00 5.13 C ATOM 926 OE1 GLU A 56 -11.777 -0.530 -11.405 1.00 11.44 O ATOM 927 OE2 GLU A 56 -12.876 0.433 -9.778 1.00 74.14 O ATOM 0 H GLU A 56 -9.723 -3.375 -7.327 1.00 21.24 H new ATOM 0 HA GLU A 56 -8.357 -1.119 -8.250 1.00 3.42 H new ATOM 0 HB2 GLU A 56 -10.246 -2.223 -9.410 1.00 12.31 H new ATOM 0 HB3 GLU A 56 -11.334 -1.690 -8.144 1.00 12.31 H new ATOM 0 HG2 GLU A 56 -10.667 0.687 -8.664 1.00 31.42 H new ATOM 0 HG3 GLU A 56 -9.741 0.080 -10.022 1.00 31.42 H new ATOM 934 N GLU A 57 -10.357 -0.674 -5.620 1.00 34.32 N ATOM 935 CA GLU A 57 -10.716 0.300 -4.595 1.00 53.41 C ATOM 936 C GLU A 57 -9.529 0.509 -3.679 1.00 13.12 C ATOM 937 O GLU A 57 -9.338 1.586 -3.116 1.00 41.43 O ATOM 938 CB GLU A 57 -11.959 -0.117 -3.812 1.00 64.44 C ATOM 939 CG GLU A 57 -11.682 -1.004 -2.647 1.00 71.14 C ATOM 940 CD GLU A 57 -12.927 -1.426 -1.936 1.00 62.12 C ATOM 941 OE1 GLU A 57 -13.616 -2.350 -2.423 1.00 71.30 O ATOM 942 OE2 GLU A 57 -13.253 -0.846 -0.885 1.00 61.51 O ATOM 0 H GLU A 57 -10.771 -1.598 -5.498 1.00 34.32 H new ATOM 0 HA GLU A 57 -10.970 1.242 -5.082 1.00 53.41 H new ATOM 0 HB2 GLU A 57 -12.469 0.779 -3.458 1.00 64.44 H new ATOM 0 HB3 GLU A 57 -12.645 -0.628 -4.488 1.00 64.44 H new ATOM 0 HG2 GLU A 57 -11.146 -1.889 -2.989 1.00 71.14 H new ATOM 0 HG3 GLU A 57 -11.027 -0.485 -1.947 1.00 71.14 H new ATOM 949 N VAL A 58 -8.718 -0.534 -3.569 1.00 75.10 N ATOM 950 CA VAL A 58 -7.499 -0.487 -2.859 1.00 53.35 C ATOM 951 C VAL A 58 -6.609 0.537 -3.514 1.00 0.13 C ATOM 952 O VAL A 58 -6.188 1.501 -2.884 1.00 51.45 O ATOM 953 CB VAL A 58 -6.834 -1.878 -2.875 1.00 15.23 C ATOM 954 CG1 VAL A 58 -5.413 -1.829 -2.413 1.00 13.51 C ATOM 955 CG2 VAL A 58 -7.613 -2.817 -2.009 1.00 63.50 C ATOM 0 H VAL A 58 -8.915 -1.443 -3.988 1.00 75.10 H new ATOM 0 HA VAL A 58 -7.673 -0.207 -1.820 1.00 53.35 H new ATOM 0 HB VAL A 58 -6.832 -2.231 -3.906 1.00 15.23 H new ATOM 0 HG11 VAL A 58 -4.986 -2.832 -2.441 1.00 13.51 H new ATOM 0 HG12 VAL A 58 -4.840 -1.172 -3.068 1.00 13.51 H new ATOM 0 HG13 VAL A 58 -5.375 -1.447 -1.393 1.00 13.51 H new ATOM 0 HG21 VAL A 58 -7.141 -3.800 -2.022 1.00 63.50 H new ATOM 0 HG22 VAL A 58 -7.634 -2.437 -0.987 1.00 63.50 H new ATOM 0 HG23 VAL A 58 -8.632 -2.899 -2.386 1.00 63.50 H new ATOM 965 N PHE A 59 -6.413 0.366 -4.813 1.00 63.40 N ATOM 966 CA PHE A 59 -5.595 1.254 -5.589 1.00 43.41 C ATOM 967 C PHE A 59 -6.195 2.653 -5.574 1.00 71.41 C ATOM 968 O PHE A 59 -5.470 3.609 -5.573 1.00 31.11 O ATOM 969 CB PHE A 59 -5.425 0.730 -7.023 1.00 62.32 C ATOM 970 CG PHE A 59 -4.411 1.492 -7.844 1.00 35.41 C ATOM 971 CD1 PHE A 59 -3.063 1.175 -7.763 1.00 14.35 C ATOM 972 CD2 PHE A 59 -4.800 2.523 -8.687 1.00 31.01 C ATOM 973 CE1 PHE A 59 -2.124 1.868 -8.504 1.00 31.22 C ATOM 974 CE2 PHE A 59 -3.865 3.222 -9.428 1.00 44.12 C ATOM 975 CZ PHE A 59 -2.526 2.894 -9.338 1.00 25.22 C ATOM 0 H PHE A 59 -6.823 -0.398 -5.350 1.00 63.40 H new ATOM 0 HA PHE A 59 -4.601 1.302 -5.143 1.00 43.41 H new ATOM 0 HB2 PHE A 59 -5.129 -0.318 -6.982 1.00 62.32 H new ATOM 0 HB3 PHE A 59 -6.390 0.770 -7.529 1.00 62.32 H new ATOM 0 HD1 PHE A 59 -2.742 0.375 -7.112 1.00 14.35 H new ATOM 0 HD2 PHE A 59 -5.845 2.783 -8.765 1.00 31.01 H new ATOM 0 HE1 PHE A 59 -1.078 1.608 -8.431 1.00 31.22 H new ATOM 0 HE2 PHE A 59 -4.182 4.025 -10.077 1.00 44.12 H new ATOM 0 HZ PHE A 59 -1.795 3.438 -9.918 1.00 25.22 H new ATOM 985 N THR A 60 -7.523 2.745 -5.508 1.00 50.01 N ATOM 986 CA THR A 60 -8.210 3.966 -5.425 1.00 21.05 C ATOM 987 C THR A 60 -7.777 4.753 -4.181 1.00 23.44 C ATOM 988 O THR A 60 -7.335 5.885 -4.303 1.00 14.31 O ATOM 989 CB THR A 60 -9.720 3.692 -5.371 1.00 52.31 C ATOM 990 OG1 THR A 60 -10.185 3.094 -6.597 1.00 45.33 O ATOM 991 CG2 THR A 60 -10.466 4.936 -5.095 1.00 4.13 C ATOM 0 H THR A 60 -8.138 1.931 -5.513 1.00 50.01 H new ATOM 0 HA THR A 60 -7.973 4.565 -6.305 1.00 21.05 H new ATOM 0 HB THR A 60 -9.901 2.988 -4.559 1.00 52.31 H new ATOM 0 HG1 THR A 60 -9.718 2.245 -6.745 1.00 45.33 H new ATOM 0 HG21 THR A 60 -11.534 4.720 -5.061 1.00 4.13 H new ATOM 0 HG22 THR A 60 -10.148 5.346 -4.136 1.00 4.13 H new ATOM 0 HG23 THR A 60 -10.268 5.662 -5.884 1.00 4.13 H new ATOM 999 N GLU A 61 -7.835 4.128 -2.996 1.00 12.11 N ATOM 1000 CA GLU A 61 -7.511 4.835 -1.778 1.00 15.32 C ATOM 1001 C GLU A 61 -6.022 5.131 -1.708 1.00 73.20 C ATOM 1002 O GLU A 61 -5.620 6.121 -1.125 1.00 64.30 O ATOM 1003 CB GLU A 61 -7.970 4.056 -0.548 1.00 31.01 C ATOM 1004 CG GLU A 61 -9.470 3.964 -0.400 1.00 71.51 C ATOM 1005 CD GLU A 61 -9.903 3.192 0.827 1.00 13.34 C ATOM 1006 OE1 GLU A 61 -9.990 3.792 1.940 1.00 42.41 O ATOM 1007 OE2 GLU A 61 -10.192 1.991 0.717 1.00 20.42 O ATOM 0 H GLU A 61 -8.100 3.151 -2.869 1.00 12.11 H new ATOM 0 HA GLU A 61 -8.047 5.784 -1.789 1.00 15.32 H new ATOM 0 HB2 GLU A 61 -7.558 3.048 -0.595 1.00 31.01 H new ATOM 0 HB3 GLU A 61 -7.556 4.528 0.343 1.00 31.01 H new ATOM 0 HG2 GLU A 61 -9.886 4.970 -0.353 1.00 71.51 H new ATOM 0 HG3 GLU A 61 -9.887 3.487 -1.287 1.00 71.51 H new ATOM 1014 N VAL A 62 -5.221 4.273 -2.319 1.00 72.50 N ATOM 1015 CA VAL A 62 -3.770 4.455 -2.368 1.00 42.41 C ATOM 1016 C VAL A 62 -3.382 5.558 -3.382 1.00 24.12 C ATOM 1017 O VAL A 62 -2.516 6.385 -3.116 1.00 52.54 O ATOM 1018 CB VAL A 62 -3.050 3.124 -2.704 1.00 4.14 C ATOM 1019 CG1 VAL A 62 -1.557 3.285 -2.677 1.00 11.32 C ATOM 1020 CG2 VAL A 62 -3.454 2.061 -1.722 1.00 24.25 C ATOM 0 H VAL A 62 -5.551 3.433 -2.794 1.00 72.50 H new ATOM 0 HA VAL A 62 -3.444 4.774 -1.378 1.00 42.41 H new ATOM 0 HB VAL A 62 -3.346 2.831 -3.711 1.00 4.14 H new ATOM 0 HG11 VAL A 62 -1.084 2.333 -2.917 1.00 11.32 H new ATOM 0 HG12 VAL A 62 -1.258 4.034 -3.411 1.00 11.32 H new ATOM 0 HG13 VAL A 62 -1.244 3.606 -1.683 1.00 11.32 H new ATOM 0 HG21 VAL A 62 -2.944 1.129 -1.965 1.00 24.25 H new ATOM 0 HG22 VAL A 62 -3.179 2.373 -0.714 1.00 24.25 H new ATOM 0 HG23 VAL A 62 -4.532 1.909 -1.774 1.00 24.25 H new ATOM 1030 N ALA A 63 -4.043 5.582 -4.516 1.00 20.12 N ATOM 1031 CA ALA A 63 -3.815 6.628 -5.527 1.00 51.21 C ATOM 1032 C ALA A 63 -4.307 7.957 -4.999 1.00 55.51 C ATOM 1033 O ALA A 63 -3.698 8.973 -5.199 1.00 34.31 O ATOM 1034 CB ALA A 63 -4.499 6.288 -6.843 1.00 65.13 C ATOM 0 H ALA A 63 -4.749 4.893 -4.777 1.00 20.12 H new ATOM 0 HA ALA A 63 -2.745 6.691 -5.724 1.00 51.21 H new ATOM 0 HB1 ALA A 63 -4.310 7.081 -7.567 1.00 65.13 H new ATOM 0 HB2 ALA A 63 -4.105 5.346 -7.225 1.00 65.13 H new ATOM 0 HB3 ALA A 63 -5.573 6.193 -6.681 1.00 65.13 H new ATOM 1040 N ASN A 64 -5.411 7.903 -4.303 1.00 72.13 N ATOM 1041 CA ASN A 64 -6.000 9.038 -3.611 1.00 74.22 C ATOM 1042 C ASN A 64 -5.103 9.524 -2.463 1.00 55.42 C ATOM 1043 O ASN A 64 -5.085 10.702 -2.118 1.00 43.52 O ATOM 1044 CB ASN A 64 -7.381 8.628 -3.131 1.00 31.53 C ATOM 1045 CG ASN A 64 -7.983 9.457 -2.033 1.00 32.03 C ATOM 1046 OD1 ASN A 64 -8.598 10.490 -2.272 1.00 13.02 O ATOM 1047 ND2 ASN A 64 -7.876 8.961 -0.832 1.00 20.43 N ATOM 0 H ASN A 64 -5.949 7.044 -4.193 1.00 72.13 H new ATOM 0 HA ASN A 64 -6.092 9.886 -4.290 1.00 74.22 H new ATOM 0 HB2 ASN A 64 -8.059 8.649 -3.984 1.00 31.53 H new ATOM 0 HB3 ASN A 64 -7.330 7.594 -2.789 1.00 31.53 H new ATOM 0 HD21 ASN A 64 -8.315 9.436 -0.043 1.00 20.43 H new ATOM 0 HD22 ASN A 64 -7.354 8.098 -0.681 1.00 20.43 H new ATOM 1054 N LEU A 65 -4.357 8.606 -1.905 1.00 62.44 N ATOM 1055 CA LEU A 65 -3.442 8.850 -0.828 1.00 11.34 C ATOM 1056 C LEU A 65 -2.234 9.622 -1.399 1.00 54.55 C ATOM 1057 O LEU A 65 -1.883 10.695 -0.920 1.00 32.41 O ATOM 1058 CB LEU A 65 -2.985 7.474 -0.355 1.00 12.43 C ATOM 1059 CG LEU A 65 -2.443 7.256 1.023 1.00 13.04 C ATOM 1060 CD1 LEU A 65 -1.208 8.009 1.245 1.00 73.34 C ATOM 1061 CD2 LEU A 65 -3.440 7.517 2.091 1.00 22.11 C ATOM 0 H LEU A 65 -4.373 7.631 -2.203 1.00 62.44 H new ATOM 0 HA LEU A 65 -3.888 9.423 -0.015 1.00 11.34 H new ATOM 0 HB2 LEU A 65 -3.836 6.802 -0.470 1.00 12.43 H new ATOM 0 HB3 LEU A 65 -2.218 7.139 -1.053 1.00 12.43 H new ATOM 0 HG LEU A 65 -2.202 6.195 1.086 1.00 13.04 H new ATOM 0 HD11 LEU A 65 -0.846 7.824 2.256 1.00 73.34 H new ATOM 0 HD12 LEU A 65 -0.453 7.691 0.526 1.00 73.34 H new ATOM 0 HD13 LEU A 65 -1.403 9.074 1.118 1.00 73.34 H new ATOM 0 HD21 LEU A 65 -2.984 7.341 3.065 1.00 22.11 H new ATOM 0 HD22 LEU A 65 -3.776 8.552 2.030 1.00 22.11 H new ATOM 0 HD23 LEU A 65 -4.293 6.850 1.964 1.00 22.11 H new ATOM 1073 N PHE A 66 -1.636 9.071 -2.454 1.00 65.15 N ATOM 1074 CA PHE A 66 -0.424 9.636 -3.045 1.00 41.21 C ATOM 1075 C PHE A 66 -0.731 10.344 -4.367 1.00 53.42 C ATOM 1076 O PHE A 66 0.081 10.301 -5.289 1.00 65.11 O ATOM 1077 CB PHE A 66 0.576 8.508 -3.361 1.00 52.24 C ATOM 1078 CG PHE A 66 0.892 7.560 -2.252 1.00 71.02 C ATOM 1079 CD1 PHE A 66 1.422 8.001 -1.068 1.00 3.41 C ATOM 1080 CD2 PHE A 66 0.662 6.212 -2.410 1.00 23.11 C ATOM 1081 CE1 PHE A 66 1.715 7.118 -0.060 1.00 13.42 C ATOM 1082 CE2 PHE A 66 0.953 5.326 -1.407 1.00 33.13 C ATOM 1083 CZ PHE A 66 1.477 5.779 -0.230 1.00 53.14 C ATOM 0 H PHE A 66 -1.974 8.229 -2.919 1.00 65.15 H new ATOM 0 HA PHE A 66 -0.013 10.345 -2.327 1.00 41.21 H new ATOM 0 HB2 PHE A 66 0.185 7.932 -4.200 1.00 52.24 H new ATOM 0 HB3 PHE A 66 1.508 8.964 -3.695 1.00 52.24 H new ATOM 0 HD1 PHE A 66 1.611 9.055 -0.927 1.00 3.41 H new ATOM 0 HD2 PHE A 66 0.246 5.848 -3.338 1.00 23.11 H new ATOM 0 HE1 PHE A 66 2.134 7.478 0.868 1.00 13.42 H new ATOM 0 HE2 PHE A 66 0.768 4.271 -1.547 1.00 33.13 H new ATOM 0 HZ PHE A 66 1.703 5.084 0.565 1.00 53.14 H new ATOM 1093 N ARG A 67 -1.848 11.039 -4.451 1.00 2.15 N ATOM 1094 CA ARG A 67 -2.213 11.713 -5.678 1.00 14.21 C ATOM 1095 C ARG A 67 -1.282 12.860 -6.002 1.00 13.42 C ATOM 1096 O ARG A 67 -1.228 13.872 -5.296 1.00 12.34 O ATOM 1097 CB ARG A 67 -3.690 12.113 -5.716 1.00 75.42 C ATOM 1098 CG ARG A 67 -4.244 12.716 -4.445 1.00 32.42 C ATOM 1099 CD ARG A 67 -5.717 13.035 -4.613 1.00 11.12 C ATOM 1100 NE ARG A 67 -6.382 13.273 -3.330 1.00 10.44 N ATOM 1101 CZ ARG A 67 -7.569 13.853 -3.178 1.00 54.22 C ATOM 1102 NH1 ARG A 67 -8.148 14.468 -4.200 1.00 11.23 N ATOM 1103 NH2 ARG A 67 -8.160 13.850 -1.992 1.00 43.14 N ATOM 0 H ARG A 67 -2.515 11.151 -3.687 1.00 2.15 H new ATOM 0 HA ARG A 67 -2.085 10.985 -6.479 1.00 14.21 H new ATOM 0 HB2 ARG A 67 -3.832 12.828 -6.526 1.00 75.42 H new ATOM 0 HB3 ARG A 67 -4.279 11.230 -5.963 1.00 75.42 H new ATOM 0 HG2 ARG A 67 -4.107 12.022 -3.616 1.00 32.42 H new ATOM 0 HG3 ARG A 67 -3.694 13.624 -4.195 1.00 32.42 H new ATOM 0 HD2 ARG A 67 -5.826 13.916 -5.246 1.00 11.12 H new ATOM 0 HD3 ARG A 67 -6.209 12.210 -5.128 1.00 11.12 H new ATOM 0 HE ARG A 67 -5.896 12.970 -2.486 1.00 10.44 H new ATOM 0 HH11 ARG A 67 -7.683 14.498 -5.107 1.00 11.23 H new ATOM 0 HH12 ARG A 67 -9.059 14.912 -4.079 1.00 11.23 H new ATOM 0 HH21 ARG A 67 -7.704 13.403 -1.196 1.00 43.14 H new ATOM 0 HH22 ARG A 67 -9.070 14.295 -1.875 1.00 43.14 H new ATOM 1117 N GLY A 68 -0.524 12.660 -7.048 1.00 14.44 N ATOM 1118 CA GLY A 68 0.482 13.592 -7.461 1.00 22.21 C ATOM 1119 C GLY A 68 1.820 12.901 -7.502 1.00 11.34 C ATOM 1120 O GLY A 68 2.656 13.160 -8.367 1.00 23.03 O ATOM 0 H GLY A 68 -0.592 11.834 -7.642 1.00 14.44 H new ATOM 0 HA2 GLY A 68 0.238 13.995 -8.444 1.00 22.21 H new ATOM 0 HA3 GLY A 68 0.517 14.435 -6.771 1.00 22.21 H new ATOM 1124 N GLN A 69 2.006 11.984 -6.583 1.00 10.31 N ATOM 1125 CA GLN A 69 3.212 11.215 -6.473 1.00 11.44 C ATOM 1126 C GLN A 69 3.055 9.927 -7.263 1.00 65.41 C ATOM 1127 O GLN A 69 2.803 8.858 -6.695 1.00 55.21 O ATOM 1128 CB GLN A 69 3.455 10.888 -5.014 1.00 31.01 C ATOM 1129 CG GLN A 69 3.532 12.111 -4.115 1.00 60.14 C ATOM 1130 CD GLN A 69 4.747 12.945 -4.348 1.00 30.30 C ATOM 1131 OE1 GLN A 69 5.803 12.730 -3.741 1.00 75.21 O ATOM 1132 NE2 GLN A 69 4.616 13.915 -5.165 1.00 73.01 N ATOM 0 H GLN A 69 1.306 11.750 -5.879 1.00 10.31 H new ATOM 0 HA GLN A 69 4.055 11.783 -6.867 1.00 11.44 H new ATOM 0 HB2 GLN A 69 2.655 10.238 -4.659 1.00 31.01 H new ATOM 0 HB3 GLN A 69 4.385 10.326 -4.927 1.00 31.01 H new ATOM 0 HG2 GLN A 69 2.645 12.724 -4.272 1.00 60.14 H new ATOM 0 HG3 GLN A 69 3.516 11.788 -3.074 1.00 60.14 H new ATOM 0 HE21 GLN A 69 3.729 14.060 -5.647 1.00 73.01 H new ATOM 0 HE22 GLN A 69 5.399 14.546 -5.337 1.00 73.01 H new ATOM 1141 N GLU A 70 3.189 10.024 -8.569 1.00 32.20 N ATOM 1142 CA GLU A 70 2.974 8.878 -9.448 1.00 75.21 C ATOM 1143 C GLU A 70 4.083 7.830 -9.293 1.00 54.12 C ATOM 1144 O GLU A 70 3.921 6.665 -9.685 1.00 70.03 O ATOM 1145 CB GLU A 70 2.788 9.330 -10.894 1.00 53.35 C ATOM 1146 CG GLU A 70 1.691 10.380 -11.038 1.00 51.55 C ATOM 1147 CD GLU A 70 1.382 10.731 -12.466 1.00 30.24 C ATOM 1148 OE1 GLU A 70 2.128 11.525 -13.085 1.00 40.00 O ATOM 1149 OE2 GLU A 70 0.377 10.240 -12.998 1.00 2.11 O ATOM 0 H GLU A 70 3.446 10.884 -9.053 1.00 32.20 H new ATOM 0 HA GLU A 70 2.049 8.387 -9.146 1.00 75.21 H new ATOM 0 HB2 GLU A 70 3.728 9.736 -11.269 1.00 53.35 H new ATOM 0 HB3 GLU A 70 2.545 8.467 -11.513 1.00 53.35 H new ATOM 0 HG2 GLU A 70 0.784 10.014 -10.557 1.00 51.55 H new ATOM 0 HG3 GLU A 70 1.991 11.283 -10.507 1.00 51.55 H new ATOM 1156 N ASP A 71 5.191 8.263 -8.698 1.00 2.31 N ATOM 1157 CA ASP A 71 6.314 7.395 -8.330 1.00 12.51 C ATOM 1158 C ASP A 71 5.834 6.227 -7.519 1.00 74.23 C ATOM 1159 O ASP A 71 5.941 5.074 -7.926 1.00 40.35 O ATOM 1160 CB ASP A 71 7.287 8.151 -7.441 1.00 74.02 C ATOM 1161 CG ASP A 71 8.276 9.040 -8.134 1.00 55.12 C ATOM 1162 OD1 ASP A 71 7.871 10.016 -8.800 1.00 64.24 O ATOM 1163 OD2 ASP A 71 9.484 8.834 -7.927 1.00 13.51 O ATOM 0 H ASP A 71 5.340 9.242 -8.453 1.00 2.31 H new ATOM 0 HA ASP A 71 6.785 7.065 -9.256 1.00 12.51 H new ATOM 0 HB2 ASP A 71 6.710 8.760 -6.745 1.00 74.02 H new ATOM 0 HB3 ASP A 71 7.840 7.424 -6.846 1.00 74.02 H new ATOM 1168 N LEU A 72 5.214 6.558 -6.411 1.00 1.23 N ATOM 1169 CA LEU A 72 4.759 5.602 -5.428 1.00 22.22 C ATOM 1170 C LEU A 72 3.685 4.709 -6.000 1.00 54.11 C ATOM 1171 O LEU A 72 3.611 3.535 -5.684 1.00 21.10 O ATOM 1172 CB LEU A 72 4.241 6.358 -4.209 1.00 73.13 C ATOM 1173 CG LEU A 72 5.264 7.276 -3.531 1.00 71.21 C ATOM 1174 CD1 LEU A 72 4.606 8.107 -2.461 1.00 3.33 C ATOM 1175 CD2 LEU A 72 6.401 6.464 -2.938 1.00 54.34 C ATOM 0 H LEU A 72 5.006 7.525 -6.161 1.00 1.23 H new ATOM 0 HA LEU A 72 5.591 4.962 -5.134 1.00 22.22 H new ATOM 0 HB2 LEU A 72 3.382 6.957 -4.510 1.00 73.13 H new ATOM 0 HB3 LEU A 72 3.884 5.634 -3.477 1.00 73.13 H new ATOM 0 HG LEU A 72 5.672 7.945 -4.288 1.00 71.21 H new ATOM 0 HD11 LEU A 72 5.350 8.752 -1.992 1.00 3.33 H new ATOM 0 HD12 LEU A 72 3.823 8.721 -2.907 1.00 3.33 H new ATOM 0 HD13 LEU A 72 4.168 7.451 -1.709 1.00 3.33 H new ATOM 0 HD21 LEU A 72 7.117 7.134 -2.461 1.00 54.34 H new ATOM 0 HD22 LEU A 72 6.005 5.770 -2.197 1.00 54.34 H new ATOM 0 HD23 LEU A 72 6.900 5.904 -3.729 1.00 54.34 H new ATOM 1187 N LEU A 73 2.921 5.254 -6.914 1.00 43.12 N ATOM 1188 CA LEU A 73 1.813 4.543 -7.520 1.00 41.42 C ATOM 1189 C LEU A 73 2.350 3.472 -8.471 1.00 2.13 C ATOM 1190 O LEU A 73 1.777 2.393 -8.616 1.00 71.20 O ATOM 1191 CB LEU A 73 0.902 5.543 -8.249 1.00 70.04 C ATOM 1192 CG LEU A 73 0.422 6.726 -7.387 1.00 24.00 C ATOM 1193 CD1 LEU A 73 -0.459 7.680 -8.166 1.00 61.33 C ATOM 1194 CD2 LEU A 73 -0.295 6.240 -6.143 1.00 11.02 C ATOM 0 H LEU A 73 3.047 6.204 -7.262 1.00 43.12 H new ATOM 0 HA LEU A 73 1.221 4.044 -6.753 1.00 41.42 H new ATOM 0 HB2 LEU A 73 1.436 5.935 -9.115 1.00 70.04 H new ATOM 0 HB3 LEU A 73 0.030 5.010 -8.627 1.00 70.04 H new ATOM 0 HG LEU A 73 1.313 7.276 -7.083 1.00 24.00 H new ATOM 0 HD11 LEU A 73 -0.773 8.498 -7.517 1.00 61.33 H new ATOM 0 HD12 LEU A 73 0.099 8.082 -9.012 1.00 61.33 H new ATOM 0 HD13 LEU A 73 -1.338 7.148 -8.531 1.00 61.33 H new ATOM 0 HD21 LEU A 73 -0.623 7.097 -5.554 1.00 11.02 H new ATOM 0 HD22 LEU A 73 -1.162 5.645 -6.432 1.00 11.02 H new ATOM 0 HD23 LEU A 73 0.383 5.628 -5.548 1.00 11.02 H new ATOM 1206 N SER A 74 3.497 3.759 -9.055 1.00 61.31 N ATOM 1207 CA SER A 74 4.151 2.843 -9.956 1.00 51.52 C ATOM 1208 C SER A 74 4.882 1.757 -9.153 1.00 34.12 C ATOM 1209 O SER A 74 4.968 0.598 -9.567 1.00 11.32 O ATOM 1210 CB SER A 74 5.130 3.619 -10.830 1.00 43.22 C ATOM 1211 OG SER A 74 4.462 4.673 -11.517 1.00 75.14 O ATOM 0 H SER A 74 3.999 4.636 -8.915 1.00 61.31 H new ATOM 0 HA SER A 74 3.413 2.357 -10.594 1.00 51.52 H new ATOM 0 HB2 SER A 74 5.930 4.029 -10.214 1.00 43.22 H new ATOM 0 HB3 SER A 74 5.595 2.946 -11.550 1.00 43.22 H new ATOM 0 HG SER A 74 4.185 5.359 -10.874 1.00 75.14 H new ATOM 1217 N GLU A 75 5.387 2.142 -7.997 1.00 34.53 N ATOM 1218 CA GLU A 75 6.094 1.226 -7.122 1.00 21.10 C ATOM 1219 C GLU A 75 5.096 0.257 -6.447 1.00 40.41 C ATOM 1220 O GLU A 75 5.337 -0.951 -6.364 1.00 31.22 O ATOM 1221 CB GLU A 75 6.955 2.019 -6.118 1.00 35.35 C ATOM 1222 CG GLU A 75 7.975 2.926 -6.827 1.00 44.12 C ATOM 1223 CD GLU A 75 8.925 3.685 -5.908 1.00 13.03 C ATOM 1224 OE1 GLU A 75 10.008 3.123 -5.548 1.00 11.42 O ATOM 1225 OE2 GLU A 75 8.669 4.869 -5.612 1.00 64.34 O ATOM 0 H GLU A 75 5.319 3.095 -7.639 1.00 34.53 H new ATOM 0 HA GLU A 75 6.780 0.607 -7.700 1.00 21.10 H new ATOM 0 HB2 GLU A 75 6.308 2.626 -5.485 1.00 35.35 H new ATOM 0 HB3 GLU A 75 7.481 1.324 -5.463 1.00 35.35 H new ATOM 0 HG2 GLU A 75 8.567 2.315 -7.509 1.00 44.12 H new ATOM 0 HG3 GLU A 75 7.432 3.648 -7.436 1.00 44.12 H new ATOM 1232 N PHE A 76 3.950 0.791 -6.038 1.00 24.20 N ATOM 1233 CA PHE A 76 2.833 0.004 -5.482 1.00 23.11 C ATOM 1234 C PHE A 76 2.359 -1.009 -6.513 1.00 14.40 C ATOM 1235 O PHE A 76 2.041 -2.146 -6.174 1.00 72.22 O ATOM 1236 CB PHE A 76 1.704 0.969 -5.073 1.00 64.02 C ATOM 1237 CG PHE A 76 0.537 0.340 -4.375 1.00 63.33 C ATOM 1238 CD1 PHE A 76 0.718 -0.365 -3.198 1.00 52.23 C ATOM 1239 CD2 PHE A 76 -0.741 0.460 -4.891 1.00 55.24 C ATOM 1240 CE1 PHE A 76 -0.352 -0.940 -2.550 1.00 63.04 C ATOM 1241 CE2 PHE A 76 -1.818 -0.111 -4.245 1.00 61.04 C ATOM 1242 CZ PHE A 76 -1.623 -0.812 -3.073 1.00 74.55 C ATOM 0 H PHE A 76 3.759 1.792 -6.080 1.00 24.20 H new ATOM 0 HA PHE A 76 3.154 -0.549 -4.599 1.00 23.11 H new ATOM 0 HB2 PHE A 76 2.124 1.736 -4.422 1.00 64.02 H new ATOM 0 HB3 PHE A 76 1.340 1.474 -5.968 1.00 64.02 H new ATOM 0 HD1 PHE A 76 1.710 -0.465 -2.783 1.00 52.23 H new ATOM 0 HD2 PHE A 76 -0.897 1.007 -5.809 1.00 55.24 H new ATOM 0 HE1 PHE A 76 -0.197 -1.490 -1.634 1.00 63.04 H new ATOM 0 HE2 PHE A 76 -2.812 -0.009 -4.656 1.00 61.04 H new ATOM 0 HZ PHE A 76 -2.464 -1.260 -2.565 1.00 74.55 H new ATOM 1252 N GLY A 77 2.406 -0.616 -7.776 1.00 22.54 N ATOM 1253 CA GLY A 77 2.022 -1.492 -8.864 1.00 64.40 C ATOM 1254 C GLY A 77 2.974 -2.677 -9.052 1.00 4.35 C ATOM 1255 O GLY A 77 2.676 -3.593 -9.801 1.00 45.32 O ATOM 0 H GLY A 77 2.709 0.312 -8.071 1.00 22.54 H new ATOM 0 HA2 GLY A 77 1.016 -1.869 -8.680 1.00 64.40 H new ATOM 0 HA3 GLY A 77 1.983 -0.916 -9.789 1.00 64.40 H new ATOM 1259 N GLN A 78 4.125 -2.642 -8.400 1.00 44.31 N ATOM 1260 CA GLN A 78 5.075 -3.723 -8.464 1.00 52.41 C ATOM 1261 C GLN A 78 4.882 -4.618 -7.243 1.00 72.13 C ATOM 1262 O GLN A 78 4.843 -5.838 -7.356 1.00 35.34 O ATOM 1263 CB GLN A 78 6.498 -3.133 -8.497 1.00 41.34 C ATOM 1264 CG GLN A 78 7.597 -4.082 -8.963 1.00 74.42 C ATOM 1265 CD GLN A 78 7.998 -5.178 -7.974 1.00 23.42 C ATOM 1266 OE1 GLN A 78 7.928 -5.013 -6.748 1.00 41.33 O ATOM 1267 NE2 GLN A 78 8.424 -6.300 -8.497 1.00 25.31 N ATOM 0 H GLN A 78 4.420 -1.861 -7.814 1.00 44.31 H new ATOM 0 HA GLN A 78 4.925 -4.320 -9.363 1.00 52.41 H new ATOM 0 HB2 GLN A 78 6.495 -2.261 -9.151 1.00 41.34 H new ATOM 0 HB3 GLN A 78 6.748 -2.780 -7.497 1.00 41.34 H new ATOM 0 HG2 GLN A 78 7.272 -4.556 -9.889 1.00 74.42 H new ATOM 0 HG3 GLN A 78 8.482 -3.492 -9.201 1.00 74.42 H new ATOM 0 HE21 GLN A 78 8.470 -6.405 -9.511 1.00 25.31 H new ATOM 0 HE22 GLN A 78 8.710 -7.069 -7.891 1.00 25.31 H new ATOM 1276 N PHE A 79 4.724 -3.987 -6.089 1.00 4.02 N ATOM 1277 CA PHE A 79 4.595 -4.682 -4.801 1.00 75.52 C ATOM 1278 C PHE A 79 3.321 -5.499 -4.657 1.00 53.40 C ATOM 1279 O PHE A 79 3.261 -6.430 -3.850 1.00 21.32 O ATOM 1280 CB PHE A 79 4.721 -3.693 -3.644 1.00 72.32 C ATOM 1281 CG PHE A 79 6.132 -3.294 -3.358 1.00 45.13 C ATOM 1282 CD1 PHE A 79 6.944 -4.118 -2.601 1.00 12.31 C ATOM 1283 CD2 PHE A 79 6.652 -2.109 -3.842 1.00 0.13 C ATOM 1284 CE1 PHE A 79 8.234 -3.772 -2.336 1.00 30.13 C ATOM 1285 CE2 PHE A 79 7.953 -1.757 -3.574 1.00 62.35 C ATOM 1286 CZ PHE A 79 8.741 -2.595 -2.818 1.00 75.12 C ATOM 0 H PHE A 79 4.680 -2.971 -6.011 1.00 4.02 H new ATOM 0 HA PHE A 79 5.416 -5.399 -4.771 1.00 75.52 H new ATOM 0 HB2 PHE A 79 4.138 -2.801 -3.873 1.00 72.32 H new ATOM 0 HB3 PHE A 79 4.287 -4.136 -2.748 1.00 72.32 H new ATOM 0 HD1 PHE A 79 6.551 -5.047 -2.215 1.00 12.31 H new ATOM 0 HD2 PHE A 79 6.031 -1.454 -4.436 1.00 0.13 H new ATOM 0 HE1 PHE A 79 8.858 -4.426 -1.745 1.00 30.13 H new ATOM 0 HE2 PHE A 79 8.354 -0.829 -3.954 1.00 62.35 H new ATOM 0 HZ PHE A 79 9.764 -2.323 -2.604 1.00 75.12 H new ATOM 1296 N LEU A 80 2.328 -5.162 -5.408 1.00 62.12 N ATOM 1297 CA LEU A 80 1.047 -5.831 -5.339 1.00 74.54 C ATOM 1298 C LEU A 80 1.056 -7.267 -5.862 1.00 43.24 C ATOM 1299 O LEU A 80 1.877 -7.638 -6.702 1.00 20.22 O ATOM 1300 CB LEU A 80 0.001 -5.005 -6.038 1.00 14.34 C ATOM 1301 CG LEU A 80 -0.462 -3.797 -5.268 1.00 5.52 C ATOM 1302 CD1 LEU A 80 -1.199 -2.879 -6.177 1.00 51.31 C ATOM 1303 CD2 LEU A 80 -1.357 -4.228 -4.123 1.00 32.33 C ATOM 0 H LEU A 80 2.370 -4.411 -6.096 1.00 62.12 H new ATOM 0 HA LEU A 80 0.804 -5.920 -4.280 1.00 74.54 H new ATOM 0 HB2 LEU A 80 0.398 -4.677 -6.999 1.00 14.34 H new ATOM 0 HB3 LEU A 80 -0.861 -5.637 -6.249 1.00 14.34 H new ATOM 0 HG LEU A 80 0.403 -3.275 -4.860 1.00 5.52 H new ATOM 0 HD11 LEU A 80 -1.534 -2.005 -5.618 1.00 51.31 H new ATOM 0 HD12 LEU A 80 -0.541 -2.562 -6.986 1.00 51.31 H new ATOM 0 HD13 LEU A 80 -2.063 -3.396 -6.594 1.00 51.31 H new ATOM 0 HD21 LEU A 80 -1.689 -3.349 -3.570 1.00 32.33 H new ATOM 0 HD22 LEU A 80 -2.224 -4.757 -4.518 1.00 32.33 H new ATOM 0 HD23 LEU A 80 -0.802 -4.888 -3.456 1.00 32.33 H new ATOM 1315 N PRO A 81 0.172 -8.111 -5.308 1.00 74.42 N ATOM 1316 CA PRO A 81 -0.016 -9.483 -5.770 1.00 31.31 C ATOM 1317 C PRO A 81 -0.677 -9.477 -7.142 1.00 51.33 C ATOM 1318 O PRO A 81 -1.648 -8.748 -7.359 1.00 24.20 O ATOM 1319 CB PRO A 81 -0.963 -10.089 -4.723 1.00 73.01 C ATOM 1320 CG PRO A 81 -1.682 -8.920 -4.136 1.00 51.51 C ATOM 1321 CD PRO A 81 -0.722 -7.778 -4.179 1.00 64.15 C ATOM 0 HA PRO A 81 0.917 -10.039 -5.868 1.00 31.31 H new ATOM 0 HB2 PRO A 81 -1.659 -10.793 -5.180 1.00 73.01 H new ATOM 0 HB3 PRO A 81 -0.410 -10.637 -3.960 1.00 73.01 H new ATOM 0 HG2 PRO A 81 -2.584 -8.692 -4.704 1.00 51.51 H new ATOM 0 HG3 PRO A 81 -1.994 -9.128 -3.113 1.00 51.51 H new ATOM 0 HD2 PRO A 81 -1.235 -6.830 -4.341 1.00 64.15 H new ATOM 0 HD3 PRO A 81 -0.169 -7.685 -3.245 1.00 64.15 H new ATOM 1329 N GLU A 82 -0.132 -10.260 -8.062 1.00 75.24 N ATOM 1330 CA GLU A 82 -0.605 -10.316 -9.448 1.00 41.14 C ATOM 1331 C GLU A 82 -0.474 -8.940 -10.090 1.00 62.44 C ATOM 1332 O GLU A 82 -1.307 -8.516 -10.894 1.00 14.33 O ATOM 1333 CB GLU A 82 -2.042 -10.860 -9.539 1.00 34.11 C ATOM 1334 CG GLU A 82 -2.186 -12.285 -9.029 1.00 41.05 C ATOM 1335 CD GLU A 82 -1.236 -13.231 -9.713 1.00 22.20 C ATOM 1336 OE1 GLU A 82 -1.410 -13.502 -10.903 1.00 44.11 O ATOM 1337 OE2 GLU A 82 -0.266 -13.694 -9.072 1.00 15.01 O ATOM 0 H GLU A 82 0.655 -10.880 -7.872 1.00 75.24 H new ATOM 0 HA GLU A 82 0.020 -11.016 -10.002 1.00 41.14 H new ATOM 0 HB2 GLU A 82 -2.705 -10.210 -8.968 1.00 34.11 H new ATOM 0 HB3 GLU A 82 -2.372 -10.819 -10.577 1.00 34.11 H new ATOM 0 HG2 GLU A 82 -2.005 -12.305 -7.954 1.00 41.05 H new ATOM 0 HG3 GLU A 82 -3.210 -12.624 -9.186 1.00 41.05 H new ATOM 1344 N ALA A 83 0.636 -8.300 -9.760 1.00 34.15 N ATOM 1345 CA ALA A 83 0.987 -6.943 -10.155 1.00 34.30 C ATOM 1346 C ALA A 83 0.911 -6.709 -11.661 1.00 45.30 C ATOM 1347 O ALA A 83 0.523 -5.625 -12.114 1.00 43.12 O ATOM 1348 CB ALA A 83 2.385 -6.645 -9.663 1.00 65.22 C ATOM 0 H ALA A 83 1.354 -8.734 -9.180 1.00 34.15 H new ATOM 0 HA ALA A 83 0.255 -6.272 -9.705 1.00 34.30 H new ATOM 0 HB1 ALA A 83 2.664 -5.631 -9.951 1.00 65.22 H new ATOM 0 HB2 ALA A 83 2.416 -6.735 -8.577 1.00 65.22 H new ATOM 0 HB3 ALA A 83 3.085 -7.353 -10.106 1.00 65.22 H new ATOM 1354 N LYS A 84 1.274 -7.712 -12.425 1.00 13.24 N ATOM 1355 CA LYS A 84 1.285 -7.608 -13.864 1.00 51.41 C ATOM 1356 C LYS A 84 -0.056 -7.924 -14.500 1.00 62.14 C ATOM 1357 O LYS A 84 -0.297 -7.605 -15.669 1.00 14.22 O ATOM 1358 CB LYS A 84 2.384 -8.430 -14.458 1.00 42.32 C ATOM 1359 CG LYS A 84 2.394 -9.874 -14.073 1.00 3.24 C ATOM 1360 CD LYS A 84 3.675 -10.468 -14.522 1.00 50.04 C ATOM 1361 CE LYS A 84 3.765 -10.565 -16.035 1.00 65.10 C ATOM 1362 NZ LYS A 84 5.052 -11.130 -16.463 1.00 60.05 N ATOM 0 H LYS A 84 1.569 -8.621 -12.067 1.00 13.24 H new ATOM 0 HA LYS A 84 1.482 -6.561 -14.092 1.00 51.41 H new ATOM 0 HB2 LYS A 84 2.317 -8.363 -15.544 1.00 42.32 H new ATOM 0 HB3 LYS A 84 3.339 -7.990 -14.170 1.00 42.32 H new ATOM 0 HG2 LYS A 84 2.285 -9.980 -12.994 1.00 3.24 H new ATOM 0 HG3 LYS A 84 1.553 -10.395 -14.531 1.00 3.24 H new ATOM 0 HD2 LYS A 84 4.503 -9.866 -14.149 1.00 50.04 H new ATOM 0 HD3 LYS A 84 3.784 -11.462 -14.089 1.00 50.04 H new ATOM 0 HE2 LYS A 84 2.951 -11.186 -16.410 1.00 65.10 H new ATOM 0 HE3 LYS A 84 3.638 -9.575 -16.472 1.00 65.10 H new ATOM 0 HZ1 LYS A 84 5.080 -11.182 -17.501 1.00 60.05 H new ATOM 0 HZ2 LYS A 84 5.827 -10.524 -16.126 1.00 60.05 H new ATOM 0 HZ3 LYS A 84 5.161 -12.085 -16.065 1.00 60.05 H new ATOM 1376 N ARG A 85 -0.920 -8.542 -13.738 1.00 51.31 N ATOM 1377 CA ARG A 85 -2.239 -8.954 -14.213 1.00 62.01 C ATOM 1378 C ARG A 85 -3.214 -7.773 -14.166 1.00 54.53 C ATOM 1379 O ARG A 85 -2.856 -6.679 -13.689 1.00 71.10 O ATOM 1380 CB ARG A 85 -2.752 -10.102 -13.341 1.00 45.42 C ATOM 1381 CG ARG A 85 -4.103 -10.670 -13.736 1.00 52.54 C ATOM 1382 CD ARG A 85 -4.493 -11.794 -12.792 1.00 5.53 C ATOM 1383 NE ARG A 85 -5.789 -12.397 -13.123 1.00 24.21 N ATOM 1384 CZ ARG A 85 -6.507 -13.167 -12.292 1.00 22.32 C ATOM 1385 NH1 ARG A 85 -6.070 -13.401 -11.051 1.00 60.13 N ATOM 1386 NH2 ARG A 85 -7.662 -13.690 -12.699 1.00 74.43 N ATOM 0 H ARG A 85 -0.739 -8.781 -12.763 1.00 51.31 H new ATOM 0 HA ARG A 85 -2.162 -9.292 -15.246 1.00 62.01 H new ATOM 0 HB2 ARG A 85 -2.018 -10.908 -13.363 1.00 45.42 H new ATOM 0 HB3 ARG A 85 -2.811 -9.753 -12.310 1.00 45.42 H new ATOM 0 HG2 ARG A 85 -4.858 -9.884 -13.710 1.00 52.54 H new ATOM 0 HG3 ARG A 85 -4.065 -11.042 -14.760 1.00 52.54 H new ATOM 0 HD2 ARG A 85 -3.723 -12.565 -12.816 1.00 5.53 H new ATOM 0 HD3 ARG A 85 -4.527 -11.410 -11.773 1.00 5.53 H new ATOM 0 HE ARG A 85 -6.171 -12.218 -14.052 1.00 24.21 H new ATOM 0 HH11 ARG A 85 -5.190 -12.994 -10.735 1.00 60.13 H new ATOM 0 HH12 ARG A 85 -6.617 -13.987 -10.420 1.00 60.13 H new ATOM 0 HH21 ARG A 85 -8.001 -13.505 -13.643 1.00 74.43 H new ATOM 0 HH22 ARG A 85 -8.208 -14.276 -12.067 1.00 74.43 H new TER 1400 ARG A 85