USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 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 52 SER OG : rot 160:sc= 0.473 USER MOD Set 1.2: A 75 TYR OH : rot -150:sc= 0.431 USER MOD Set 2.1: A 17 HIS : no HD1:sc= 1.09 K(o=4.4,f=-2.2!) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.441 K(o=4.4,f=2.5) USER MOD Set 2.3: A 67 TYR OH : rot -170:sc= 1.62 USER MOD Set 2.4: A 91 SER OG : rot 89:sc= 1.26 USER MOD Single : A 15 ASN : amide:sc= 0.488 X(o=0.49,f=-0.0053) USER MOD Single : A 21 TYR OH : rot -69:sc= 0.269 USER MOD Single : A 22 GLN : amide:sc= 0.766 K(o=0.77,f=-4.2!) USER MOD Single : A 23 GLN : amide:sc= -0.069 K(o=-0.069,f=-2.7!) USER MOD Single : A 30 GLN : amide:sc= 0.771 K(o=0.77,f=-0.98) USER MOD Single : A 33 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.012) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 37 GLN : amide:sc= -0.22 K(o=-0.22,f=-4.5!) USER MOD Single : A 38 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.78) USER MOD Single : A 40 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.2!) USER MOD Single : A 43 SER OG : rot -152:sc= 2.13 USER MOD Single : A 44 ASN : amide:sc= -0.0589 K(o=-0.059,f=-8.5!) USER MOD Single : A 47 GLN : amide:sc= -0.0503 K(o=-0.05,f=-0.64) USER MOD Single : A 56 MET CE :methyl 145:sc= -0.282 (180deg=-1.02) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.54 (180deg=-0.0606) USER MOD Single : A 70 THR OG1 : rot -57:sc= -0.712 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.625 K(o=-0.62,f=-2) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl -171:sc= -2.22 (180deg=-2.93) USER MOD Single : A 89 SER OG : rot -79:sc= 0.403 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -0.051 0.391 -2.910 1.00 4.02 N ATOM 2 CA ASP A 14 -0.214 1.788 -2.542 1.00 54.34 C ATOM 3 C ASP A 14 -0.906 2.582 -3.662 1.00 60.13 C ATOM 4 O ASP A 14 -2.105 2.812 -3.590 1.00 50.13 O ATOM 5 CB ASP A 14 1.128 2.419 -2.099 1.00 50.11 C ATOM 6 CG ASP A 14 2.217 2.216 -3.113 1.00 33.04 C ATOM 7 OD1 ASP A 14 2.382 3.074 -3.985 1.00 41.23 O ATOM 8 OD2 ASP A 14 2.833 1.149 -3.117 1.00 75.22 O1- ATOM 0 HA ASP A 14 -0.873 1.834 -1.675 1.00 54.34 H new ATOM 0 HB2 ASP A 14 0.987 3.487 -1.930 1.00 50.11 H new ATOM 0 HB3 ASP A 14 1.435 1.984 -1.148 1.00 50.11 H new ATOM 13 N ASN A 15 -0.171 2.994 -4.688 1.00 52.50 N ATOM 14 CA ASN A 15 -0.756 3.724 -5.790 1.00 3.23 C ATOM 15 C ASN A 15 -0.011 3.457 -7.093 1.00 35.41 C ATOM 16 O ASN A 15 1.197 3.591 -7.170 1.00 11.24 O ATOM 17 CB ASN A 15 -0.864 5.264 -5.510 1.00 20.32 C ATOM 18 CG ASN A 15 0.454 6.084 -5.467 1.00 61.40 C ATOM 19 OD1 ASN A 15 0.448 7.252 -5.841 1.00 23.10 O ATOM 20 ND2 ASN A 15 1.554 5.527 -4.994 1.00 61.52 N ATOM 0 H ASN A 15 0.832 2.831 -4.774 1.00 52.50 H new ATOM 0 HA ASN A 15 -1.775 3.352 -5.896 1.00 3.23 H new ATOM 0 HB2 ASN A 15 -1.505 5.700 -6.276 1.00 20.32 H new ATOM 0 HB3 ASN A 15 -1.373 5.396 -4.555 1.00 20.32 H new ATOM 0 HD21 ASN A 15 2.416 6.069 -4.935 1.00 61.52 H new ATOM 0 HD22 ASN A 15 1.542 4.554 -4.687 1.00 61.52 H new ATOM 27 N ARG A 16 -0.715 2.912 -8.064 1.00 53.52 N ATOM 28 CA ARG A 16 -0.165 2.767 -9.417 1.00 32.11 C ATOM 29 C ARG A 16 -0.927 3.694 -10.336 1.00 14.34 C ATOM 30 O ARG A 16 -0.482 4.778 -10.656 1.00 31.11 O ATOM 31 CB ARG A 16 -0.221 1.298 -9.944 1.00 61.12 C ATOM 32 CG ARG A 16 0.774 0.320 -9.300 1.00 4.23 C ATOM 33 CD ARG A 16 0.545 0.178 -7.814 1.00 53.55 C ATOM 34 NE ARG A 16 1.518 -0.668 -7.169 1.00 44.54 N ATOM 35 CZ ARG A 16 2.287 -0.297 -6.165 1.00 13.05 C ATOM 36 NH1 ARG A 16 2.509 0.999 -5.916 1.00 41.13 N1+ ATOM 37 NH2 ARG A 16 2.894 -1.223 -5.457 1.00 51.13 N ATOM 0 H ARG A 16 -1.666 2.560 -7.953 1.00 53.52 H new ATOM 0 HA ARG A 16 0.892 3.031 -9.390 1.00 32.11 H new ATOM 0 HB2 ARG A 16 -1.230 0.915 -9.790 1.00 61.12 H new ATOM 0 HB3 ARG A 16 -0.045 1.311 -11.020 1.00 61.12 H new ATOM 0 HG2 ARG A 16 0.683 -0.656 -9.776 1.00 4.23 H new ATOM 0 HG3 ARG A 16 1.792 0.668 -9.479 1.00 4.23 H new ATOM 0 HD2 ARG A 16 0.569 1.165 -7.353 1.00 53.55 H new ATOM 0 HD3 ARG A 16 -0.452 -0.229 -7.644 1.00 53.55 H new ATOM 0 HE ARG A 16 1.618 -1.622 -7.515 1.00 44.54 H new ATOM 0 HH11 ARG A 16 2.081 1.712 -6.506 1.00 41.13 H new ATOM 0 HH12 ARG A 16 3.106 1.273 -5.136 1.00 41.13 H new ATOM 0 HH21 ARG A 16 2.766 -2.208 -5.689 1.00 51.13 H new ATOM 0 HH22 ARG A 16 3.493 -0.957 -4.676 1.00 51.13 H new ATOM 51 N HIS A 17 -2.140 3.288 -10.674 1.00 15.04 N ATOM 52 CA HIS A 17 -3.048 4.121 -11.455 1.00 40.31 C ATOM 53 C HIS A 17 -3.678 5.173 -10.583 1.00 21.54 C ATOM 54 O HIS A 17 -4.129 6.217 -11.050 1.00 62.24 O ATOM 55 CB HIS A 17 -4.120 3.292 -12.120 1.00 52.00 C ATOM 56 CG HIS A 17 -3.778 2.851 -13.503 1.00 51.31 C ATOM 57 ND1 HIS A 17 -4.088 3.589 -14.622 1.00 40.01 N ATOM 58 CD2 HIS A 17 -3.175 1.728 -13.950 1.00 21.04 C ATOM 59 CE1 HIS A 17 -3.681 2.913 -15.693 1.00 52.33 C ATOM 60 NE2 HIS A 17 -3.120 1.769 -15.343 1.00 23.40 N ATOM 0 H HIS A 17 -2.524 2.378 -10.418 1.00 15.04 H new ATOM 0 HA HIS A 17 -2.462 4.608 -12.235 1.00 40.31 H new ATOM 0 HB2 HIS A 17 -4.316 2.412 -11.508 1.00 52.00 H new ATOM 0 HB3 HIS A 17 -5.044 3.870 -12.152 1.00 52.00 H new ATOM 0 HD2 HIS A 17 -2.797 0.929 -13.330 1.00 21.04 H new ATOM 0 HE1 HIS A 17 -3.794 3.253 -16.712 1.00 52.33 H new ATOM 0 HE2 HIS A 17 -2.727 1.061 -15.964 1.00 23.40 H new ATOM 68 N ALA A 18 -3.664 4.879 -9.304 1.00 4.43 N ATOM 69 CA ALA A 18 -4.201 5.717 -8.257 1.00 61.53 C ATOM 70 C ALA A 18 -3.517 7.078 -8.183 1.00 63.33 C ATOM 71 O ALA A 18 -3.977 7.957 -7.481 1.00 75.41 O ATOM 72 CB ALA A 18 -4.224 4.999 -6.943 1.00 35.01 C ATOM 0 H ALA A 18 -3.261 4.012 -8.949 1.00 4.43 H new ATOM 0 HA ALA A 18 -5.238 5.932 -8.516 1.00 61.53 H new ATOM 0 HB1 ALA A 18 -4.633 5.657 -6.176 1.00 35.01 H new ATOM 0 HB2 ALA A 18 -4.846 4.108 -7.026 1.00 35.01 H new ATOM 0 HB3 ALA A 18 -3.210 4.709 -6.669 1.00 35.01 H new ATOM 78 N ALA A 19 -2.355 7.210 -8.843 1.00 55.21 N ATOM 79 CA ALA A 19 -1.673 8.505 -8.994 1.00 24.43 C ATOM 80 C ALA A 19 -2.666 9.578 -9.519 1.00 25.20 C ATOM 81 O ALA A 19 -2.547 10.764 -9.208 1.00 75.03 O ATOM 82 CB ALA A 19 -0.496 8.364 -9.949 1.00 73.41 C ATOM 0 H ALA A 19 -1.866 6.430 -9.283 1.00 55.21 H new ATOM 0 HA ALA A 19 -1.301 8.823 -8.020 1.00 24.43 H new ATOM 0 HB1 ALA A 19 0.004 9.327 -10.055 1.00 73.41 H new ATOM 0 HB2 ALA A 19 0.208 7.632 -9.553 1.00 73.41 H new ATOM 0 HB3 ALA A 19 -0.856 8.032 -10.923 1.00 73.41 H new ATOM 88 N ASP A 20 -3.651 9.123 -10.293 1.00 2.23 N ATOM 89 CA ASP A 20 -4.745 9.966 -10.787 1.00 50.50 C ATOM 90 C ASP A 20 -5.638 10.384 -9.609 1.00 60.41 C ATOM 91 O ASP A 20 -5.951 11.563 -9.430 1.00 74.13 O ATOM 92 CB ASP A 20 -5.546 9.185 -11.849 1.00 31.01 C ATOM 93 CG ASP A 20 -6.811 9.879 -12.344 1.00 72.55 C ATOM 94 OD1 ASP A 20 -6.731 10.921 -13.029 1.00 73.33 O ATOM 95 OD2 ASP A 20 -7.915 9.342 -12.131 1.00 63.41 O1- ATOM 0 H ASP A 20 -3.715 8.152 -10.598 1.00 2.23 H new ATOM 0 HA ASP A 20 -4.349 10.869 -11.251 1.00 50.50 H new ATOM 0 HB2 ASP A 20 -4.897 8.994 -12.703 1.00 31.01 H new ATOM 0 HB3 ASP A 20 -5.821 8.215 -11.434 1.00 31.01 H new ATOM 100 N TYR A 21 -5.954 9.415 -8.746 1.00 24.30 N ATOM 101 CA TYR A 21 -6.780 9.636 -7.547 1.00 14.14 C ATOM 102 C TYR A 21 -6.074 10.583 -6.568 1.00 62.14 C ATOM 103 O TYR A 21 -6.720 11.243 -5.745 1.00 22.21 O ATOM 104 CB TYR A 21 -7.102 8.300 -6.837 1.00 32.23 C ATOM 105 CG TYR A 21 -8.085 8.430 -5.687 1.00 10.23 C ATOM 106 CD1 TYR A 21 -7.658 8.470 -4.371 1.00 24.41 C ATOM 107 CD2 TYR A 21 -9.436 8.540 -5.925 1.00 62.23 C ATOM 108 CE1 TYR A 21 -8.551 8.620 -3.334 1.00 4.14 C ATOM 109 CE2 TYR A 21 -10.333 8.682 -4.891 1.00 34.30 C ATOM 110 CZ TYR A 21 -9.885 8.724 -3.599 1.00 20.14 C ATOM 111 OH TYR A 21 -10.778 8.888 -2.569 1.00 30.42 O ATOM 0 H TYR A 21 -5.645 8.449 -8.856 1.00 24.30 H new ATOM 0 HA TYR A 21 -7.715 10.092 -7.872 1.00 14.14 H new ATOM 0 HB2 TYR A 21 -7.506 7.600 -7.569 1.00 32.23 H new ATOM 0 HB3 TYR A 21 -6.175 7.868 -6.461 1.00 32.23 H new ATOM 0 HD1 TYR A 21 -6.604 8.382 -4.153 1.00 24.41 H new ATOM 0 HD2 TYR A 21 -9.799 8.514 -6.942 1.00 62.23 H new ATOM 0 HE1 TYR A 21 -8.197 8.655 -2.314 1.00 4.14 H new ATOM 0 HE2 TYR A 21 -11.390 8.760 -5.099 1.00 34.30 H new ATOM 0 HH TYR A 21 -10.827 8.062 -2.044 1.00 30.42 H new ATOM 121 N GLN A 22 -4.750 10.654 -6.658 1.00 2.14 N ATOM 122 CA GLN A 22 -3.967 11.567 -5.830 1.00 24.21 C ATOM 123 C GLN A 22 -4.408 13.009 -6.105 1.00 53.12 C ATOM 124 O GLN A 22 -4.427 13.847 -5.208 1.00 55.21 O ATOM 125 CB GLN A 22 -2.461 11.412 -6.092 1.00 51.45 C ATOM 126 CG GLN A 22 -1.916 10.003 -5.860 1.00 2.43 C ATOM 127 CD GLN A 22 -2.042 9.532 -4.432 1.00 11.44 C ATOM 128 OE1 GLN A 22 -3.043 8.944 -4.047 1.00 55.04 O ATOM 129 NE2 GLN A 22 -1.029 9.767 -3.644 1.00 45.10 N ATOM 0 H GLN A 22 -4.194 10.088 -7.299 1.00 2.14 H new ATOM 0 HA GLN A 22 -4.145 11.322 -4.783 1.00 24.21 H new ATOM 0 HB2 GLN A 22 -2.253 11.703 -7.122 1.00 51.45 H new ATOM 0 HB3 GLN A 22 -1.920 12.107 -5.449 1.00 51.45 H new ATOM 0 HG2 GLN A 22 -2.445 9.307 -6.511 1.00 2.43 H new ATOM 0 HG3 GLN A 22 -0.866 9.977 -6.151 1.00 2.43 H new ATOM 0 HE21 GLN A 22 -0.210 10.260 -3.999 1.00 45.10 H new ATOM 0 HE22 GLN A 22 -1.056 9.457 -2.673 1.00 45.10 H new ATOM 138 N GLN A 23 -4.811 13.266 -7.345 1.00 41.24 N ATOM 139 CA GLN A 23 -5.335 14.563 -7.729 1.00 53.31 C ATOM 140 C GLN A 23 -6.723 14.765 -7.145 1.00 65.23 C ATOM 141 O GLN A 23 -7.022 15.825 -6.613 1.00 54.20 O ATOM 142 CB GLN A 23 -5.356 14.729 -9.249 1.00 25.30 C ATOM 143 CG GLN A 23 -3.981 14.874 -9.887 1.00 31.32 C ATOM 144 CD GLN A 23 -3.263 16.132 -9.424 1.00 74.21 C ATOM 145 OE1 GLN A 23 -3.414 17.202 -10.020 1.00 2.51 O ATOM 146 NE2 GLN A 23 -2.484 16.023 -8.375 1.00 11.43 N ATOM 0 H GLN A 23 -4.782 12.584 -8.103 1.00 41.24 H new ATOM 0 HA GLN A 23 -4.672 15.328 -7.325 1.00 53.31 H new ATOM 0 HB2 GLN A 23 -5.858 13.867 -9.689 1.00 25.30 H new ATOM 0 HB3 GLN A 23 -5.953 15.607 -9.498 1.00 25.30 H new ATOM 0 HG2 GLN A 23 -3.375 14.001 -9.643 1.00 31.32 H new ATOM 0 HG3 GLN A 23 -4.086 14.896 -10.972 1.00 31.32 H new ATOM 0 HE21 GLN A 23 -2.382 15.123 -7.907 1.00 11.43 H new ATOM 0 HE22 GLN A 23 -1.980 16.839 -8.027 1.00 11.43 H new ATOM 155 N LEU A 24 -7.564 13.729 -7.217 1.00 51.53 N ATOM 156 CA LEU A 24 -8.915 13.796 -6.633 1.00 64.23 C ATOM 157 C LEU A 24 -8.820 14.071 -5.128 1.00 63.40 C ATOM 158 O LEU A 24 -9.610 14.834 -4.577 1.00 32.13 O ATOM 159 CB LEU A 24 -9.763 12.497 -6.987 1.00 41.43 C ATOM 160 CG LEU A 24 -11.179 12.313 -6.358 1.00 64.51 C ATOM 161 CD1 LEU A 24 -11.889 11.182 -7.046 1.00 65.24 C ATOM 162 CD2 LEU A 24 -11.132 11.997 -4.872 1.00 15.10 C ATOM 0 H LEU A 24 -7.341 12.842 -7.668 1.00 51.53 H new ATOM 0 HA LEU A 24 -9.460 14.630 -7.076 1.00 64.23 H new ATOM 0 HB2 LEU A 24 -9.880 12.468 -8.070 1.00 41.43 H new ATOM 0 HB3 LEU A 24 -9.165 11.630 -6.707 1.00 41.43 H new ATOM 0 HG LEU A 24 -11.702 13.260 -6.489 1.00 64.51 H new ATOM 0 HD11 LEU A 24 -12.878 11.053 -6.607 1.00 65.24 H new ATOM 0 HD12 LEU A 24 -11.990 11.408 -8.108 1.00 65.24 H new ATOM 0 HD13 LEU A 24 -11.315 10.264 -6.923 1.00 65.24 H new ATOM 0 HD21 LEU A 24 -12.147 11.880 -4.493 1.00 15.10 H new ATOM 0 HD22 LEU A 24 -10.577 11.072 -4.714 1.00 15.10 H new ATOM 0 HD23 LEU A 24 -10.638 12.812 -4.342 1.00 15.10 H new ATOM 174 N ARG A 25 -7.813 13.477 -4.499 1.00 72.21 N ATOM 175 CA ARG A 25 -7.569 13.616 -3.067 1.00 44.33 C ATOM 176 C ARG A 25 -7.371 15.087 -2.717 1.00 3.25 C ATOM 177 O ARG A 25 -7.983 15.602 -1.783 1.00 75.34 O ATOM 178 CB ARG A 25 -6.297 12.870 -2.684 1.00 3.31 C ATOM 179 CG ARG A 25 -6.282 12.359 -1.258 1.00 14.30 C ATOM 180 CD ARG A 25 -7.158 11.141 -1.155 1.00 34.00 C ATOM 181 NE ARG A 25 -6.425 9.923 -0.746 1.00 40.12 N ATOM 182 CZ ARG A 25 -5.638 9.168 -1.530 1.00 14.21 C ATOM 183 NH1 ARG A 25 -5.254 9.603 -2.723 1.00 73.14 N1+ ATOM 184 NH2 ARG A 25 -5.228 7.990 -1.111 1.00 54.30 N ATOM 0 H ARG A 25 -7.136 12.879 -4.973 1.00 72.21 H new ATOM 0 HA ARG A 25 -8.425 13.208 -2.530 1.00 44.33 H new ATOM 0 HB2 ARG A 25 -6.166 12.026 -3.362 1.00 3.31 H new ATOM 0 HB3 ARG A 25 -5.443 13.532 -2.830 1.00 3.31 H new ATOM 0 HG2 ARG A 25 -5.263 12.114 -0.958 1.00 14.30 H new ATOM 0 HG3 ARG A 25 -6.636 13.134 -0.578 1.00 14.30 H new ATOM 0 HD2 ARG A 25 -7.954 11.335 -0.437 1.00 34.00 H new ATOM 0 HD3 ARG A 25 -7.635 10.963 -2.119 1.00 34.00 H new ATOM 0 HE ARG A 25 -6.527 9.628 0.225 1.00 40.12 H new ATOM 0 HH11 ARG A 25 -5.556 10.519 -3.053 1.00 73.14 H new ATOM 0 HH12 ARG A 25 -4.656 9.021 -3.310 1.00 73.14 H new ATOM 0 HH21 ARG A 25 -5.508 7.650 -0.191 1.00 54.30 H new ATOM 0 HH22 ARG A 25 -4.630 7.417 -1.706 1.00 54.30 H new ATOM 198 N GLU A 26 -6.521 15.751 -3.498 1.00 34.43 N ATOM 199 CA GLU A 26 -6.204 17.134 -3.301 1.00 40.13 C ATOM 200 C GLU A 26 -7.438 18.008 -3.493 1.00 43.15 C ATOM 201 O GLU A 26 -7.709 18.892 -2.669 1.00 1.33 O ATOM 202 CB GLU A 26 -5.033 17.533 -4.214 1.00 4.42 C ATOM 203 CG GLU A 26 -4.584 18.972 -4.071 1.00 74.31 C ATOM 204 CD GLU A 26 -5.080 19.862 -5.188 1.00 42.10 C ATOM 205 OE1 GLU A 26 -6.304 20.039 -5.343 1.00 51.12 O ATOM 206 OE2 GLU A 26 -4.254 20.361 -5.960 1.00 12.02 O1- ATOM 0 H GLU A 26 -6.037 15.326 -4.289 1.00 34.43 H new ATOM 0 HA GLU A 26 -5.881 17.293 -2.272 1.00 40.13 H new ATOM 0 HB2 GLU A 26 -4.186 16.879 -4.004 1.00 4.42 H new ATOM 0 HB3 GLU A 26 -5.321 17.357 -5.250 1.00 4.42 H new ATOM 0 HG2 GLU A 26 -4.939 19.364 -3.118 1.00 74.31 H new ATOM 0 HG3 GLU A 26 -3.495 19.006 -4.044 1.00 74.31 H new ATOM 213 N ARG A 27 -8.223 17.732 -4.542 1.00 4.01 N ATOM 214 CA ARG A 27 -9.442 18.493 -4.744 1.00 53.22 C ATOM 215 C ARG A 27 -10.417 18.297 -3.595 1.00 52.31 C ATOM 216 O ARG A 27 -11.103 19.224 -3.220 1.00 53.44 O ATOM 217 CB ARG A 27 -10.153 18.247 -6.085 1.00 5.11 C ATOM 218 CG ARG A 27 -9.559 18.944 -7.323 1.00 35.02 C ATOM 219 CD ARG A 27 -8.372 18.215 -7.928 1.00 52.24 C ATOM 220 NE ARG A 27 -7.064 18.846 -7.687 1.00 42.40 N ATOM 221 CZ ARG A 27 -6.007 18.720 -8.520 1.00 64.25 C ATOM 222 NH1 ARG A 27 -6.131 18.048 -9.668 1.00 20.34 N1+ ATOM 223 NH2 ARG A 27 -4.845 19.263 -8.226 1.00 2.25 N ATOM 0 H ARG A 27 -8.037 17.010 -5.238 1.00 4.01 H new ATOM 0 HA ARG A 27 -9.106 19.529 -4.774 1.00 53.22 H new ATOM 0 HB2 ARG A 27 -10.164 17.173 -6.272 1.00 5.11 H new ATOM 0 HB3 ARG A 27 -11.191 18.563 -5.982 1.00 5.11 H new ATOM 0 HG2 ARG A 27 -10.337 19.043 -8.080 1.00 35.02 H new ATOM 0 HG3 ARG A 27 -9.252 19.953 -7.048 1.00 35.02 H new ATOM 0 HD2 ARG A 27 -8.347 17.200 -7.531 1.00 52.24 H new ATOM 0 HD3 ARG A 27 -8.526 18.132 -9.004 1.00 52.24 H new ATOM 0 HE ARG A 27 -6.949 19.410 -6.845 1.00 42.40 H new ATOM 0 HH11 ARG A 27 -7.026 17.628 -9.919 1.00 20.34 H new ATOM 0 HH12 ARG A 27 -5.331 17.955 -10.294 1.00 20.34 H new ATOM 0 HH21 ARG A 27 -4.732 19.788 -7.359 1.00 2.25 H new ATOM 0 HH22 ARG A 27 -4.057 19.159 -8.865 1.00 2.25 H new ATOM 237 N LEU A 28 -10.452 17.095 -3.012 1.00 23.42 N ATOM 238 CA LEU A 28 -11.310 16.848 -1.854 1.00 73.00 C ATOM 239 C LEU A 28 -10.926 17.681 -0.653 1.00 15.15 C ATOM 240 O LEU A 28 -11.795 18.061 0.128 1.00 13.22 O ATOM 241 CB LEU A 28 -11.453 15.363 -1.488 1.00 3.43 C ATOM 242 CG LEU A 28 -12.542 14.595 -2.244 1.00 21.10 C ATOM 243 CD1 LEU A 28 -12.563 13.148 -1.814 1.00 2.24 C ATOM 244 CD2 LEU A 28 -13.907 15.218 -1.983 1.00 41.34 C ATOM 0 H LEU A 28 -9.905 16.291 -3.318 1.00 23.42 H new ATOM 0 HA LEU A 28 -12.300 17.174 -2.173 1.00 73.00 H new ATOM 0 HB2 LEU A 28 -10.497 14.870 -1.665 1.00 3.43 H new ATOM 0 HB3 LEU A 28 -11.657 15.289 -0.420 1.00 3.43 H new ATOM 0 HG LEU A 28 -12.318 14.649 -3.309 1.00 21.10 H new ATOM 0 HD11 LEU A 28 -13.342 12.617 -2.361 1.00 2.24 H new ATOM 0 HD12 LEU A 28 -11.596 12.691 -2.026 1.00 2.24 H new ATOM 0 HD13 LEU A 28 -12.766 13.089 -0.745 1.00 2.24 H new ATOM 0 HD21 LEU A 28 -14.671 14.662 -2.527 1.00 41.34 H new ATOM 0 HD22 LEU A 28 -14.124 15.184 -0.915 1.00 41.34 H new ATOM 0 HD23 LEU A 28 -13.904 16.255 -2.320 1.00 41.34 H new ATOM 256 N ILE A 29 -9.642 17.996 -0.528 1.00 45.32 N ATOM 257 CA ILE A 29 -9.171 18.861 0.546 1.00 60.21 C ATOM 258 C ILE A 29 -9.858 20.232 0.404 1.00 33.51 C ATOM 259 O ILE A 29 -10.310 20.812 1.370 1.00 31.24 O ATOM 260 CB ILE A 29 -7.615 19.062 0.503 1.00 32.12 C ATOM 261 CG1 ILE A 29 -6.867 17.717 0.565 1.00 14.33 C ATOM 262 CG2 ILE A 29 -7.158 19.948 1.666 1.00 53.02 C ATOM 263 CD1 ILE A 29 -6.881 17.075 1.919 1.00 41.15 C ATOM 0 H ILE A 29 -8.910 17.666 -1.156 1.00 45.32 H new ATOM 0 HA ILE A 29 -9.418 18.389 1.497 1.00 60.21 H new ATOM 0 HB ILE A 29 -7.377 19.546 -0.444 1.00 32.12 H new ATOM 0 HG12 ILE A 29 -7.313 17.031 -0.156 1.00 14.33 H new ATOM 0 HG13 ILE A 29 -5.833 17.873 0.259 1.00 14.33 H new ATOM 0 HG21 ILE A 29 -6.077 20.077 1.622 1.00 53.02 H new ATOM 0 HG22 ILE A 29 -7.643 20.921 1.594 1.00 53.02 H new ATOM 0 HG23 ILE A 29 -7.428 19.476 2.611 1.00 53.02 H new ATOM 0 HD11 ILE A 29 -6.334 16.133 1.881 1.00 41.15 H new ATOM 0 HD12 ILE A 29 -6.408 17.740 2.642 1.00 41.15 H new ATOM 0 HD13 ILE A 29 -7.911 16.885 2.221 1.00 41.15 H new ATOM 275 N GLN A 30 -9.988 20.689 -0.823 1.00 41.13 N ATOM 276 CA GLN A 30 -10.593 21.987 -1.096 1.00 32.43 C ATOM 277 C GLN A 30 -12.128 21.888 -1.028 1.00 10.20 C ATOM 278 O GLN A 30 -12.790 22.711 -0.403 1.00 2.24 O ATOM 279 CB GLN A 30 -10.217 22.469 -2.505 1.00 41.41 C ATOM 280 CG GLN A 30 -8.740 22.366 -2.872 1.00 25.14 C ATOM 281 CD GLN A 30 -8.452 22.993 -4.230 1.00 44.54 C ATOM 282 OE1 GLN A 30 -9.101 23.955 -4.626 1.00 64.14 O ATOM 283 NE2 GLN A 30 -7.539 22.432 -4.974 1.00 73.14 N ATOM 0 H GLN A 30 -9.683 20.183 -1.654 1.00 41.13 H new ATOM 0 HA GLN A 30 -10.225 22.687 -0.346 1.00 32.43 H new ATOM 0 HB2 GLN A 30 -10.793 21.894 -3.230 1.00 41.41 H new ATOM 0 HB3 GLN A 30 -10.525 23.510 -2.606 1.00 41.41 H new ATOM 0 HG2 GLN A 30 -8.140 22.861 -2.108 1.00 25.14 H new ATOM 0 HG3 GLN A 30 -8.440 21.318 -2.884 1.00 25.14 H new ATOM 0 HE21 GLN A 30 -7.013 21.633 -4.620 1.00 73.14 H new ATOM 0 HE22 GLN A 30 -7.351 22.793 -5.909 1.00 73.14 H new ATOM 292 N GLU A 31 -12.638 20.830 -1.645 1.00 33.24 N ATOM 293 CA GLU A 31 -14.064 20.578 -1.907 1.00 71.12 C ATOM 294 C GLU A 31 -15.002 20.854 -0.719 1.00 21.33 C ATOM 295 O GLU A 31 -15.967 21.615 -0.848 1.00 14.34 O ATOM 296 CB GLU A 31 -14.214 19.126 -2.333 1.00 1.15 C ATOM 297 CG GLU A 31 -15.574 18.761 -2.861 1.00 13.13 C ATOM 298 CD GLU A 31 -15.893 19.488 -4.136 1.00 74.14 C ATOM 299 OE1 GLU A 31 -16.735 20.393 -4.120 1.00 43.33 O ATOM 300 OE2 GLU A 31 -15.351 19.111 -5.181 1.00 71.12 O1- ATOM 0 H GLU A 31 -12.043 20.080 -1.998 1.00 33.24 H new ATOM 0 HA GLU A 31 -14.367 21.279 -2.685 1.00 71.12 H new ATOM 0 HB2 GLU A 31 -13.471 18.909 -3.101 1.00 1.15 H new ATOM 0 HB3 GLU A 31 -13.987 18.486 -1.480 1.00 1.15 H new ATOM 0 HG2 GLU A 31 -15.619 17.686 -3.035 1.00 13.13 H new ATOM 0 HG3 GLU A 31 -16.330 18.995 -2.111 1.00 13.13 H new ATOM 307 N LEU A 32 -14.738 20.251 0.422 1.00 23.21 N ATOM 308 CA LEU A 32 -15.613 20.464 1.573 1.00 22.40 C ATOM 309 C LEU A 32 -14.954 21.354 2.607 1.00 24.13 C ATOM 310 O LEU A 32 -15.380 21.380 3.757 1.00 25.15 O ATOM 311 CB LEU A 32 -15.994 19.131 2.215 1.00 12.32 C ATOM 312 CG LEU A 32 -16.727 18.123 1.345 1.00 14.12 C ATOM 313 CD1 LEU A 32 -16.946 16.850 2.129 1.00 72.30 C ATOM 314 CD2 LEU A 32 -18.057 18.685 0.853 1.00 42.34 C ATOM 0 H LEU A 32 -13.949 19.625 0.583 1.00 23.21 H new ATOM 0 HA LEU A 32 -16.514 20.959 1.211 1.00 22.40 H new ATOM 0 HB2 LEU A 32 -15.082 18.660 2.581 1.00 12.32 H new ATOM 0 HB3 LEU A 32 -16.616 19.341 3.085 1.00 12.32 H new ATOM 0 HG LEU A 32 -16.117 17.907 0.468 1.00 14.12 H new ATOM 0 HD11 LEU A 32 -17.472 16.125 1.507 1.00 72.30 H new ATOM 0 HD12 LEU A 32 -15.983 16.438 2.431 1.00 72.30 H new ATOM 0 HD13 LEU A 32 -17.542 17.067 3.016 1.00 72.30 H new ATOM 0 HD21 LEU A 32 -18.559 17.942 0.233 1.00 42.34 H new ATOM 0 HD22 LEU A 32 -18.687 18.930 1.708 1.00 42.34 H new ATOM 0 HD23 LEU A 32 -17.877 19.585 0.266 1.00 42.34 H new ATOM 326 N ASN A 33 -13.946 22.117 2.172 1.00 51.43 N ATOM 327 CA ASN A 33 -13.142 22.972 3.068 1.00 1.44 C ATOM 328 C ASN A 33 -12.498 22.068 4.124 1.00 50.03 C ATOM 329 O ASN A 33 -12.624 22.253 5.347 1.00 15.10 O ATOM 330 CB ASN A 33 -14.000 24.100 3.713 1.00 72.12 C ATOM 331 CG ASN A 33 -13.176 25.181 4.426 1.00 54.34 C ATOM 332 OD1 ASN A 33 -12.806 26.187 3.834 1.00 70.00 O ATOM 333 ND2 ASN A 33 -12.886 24.982 5.686 1.00 4.52 N ATOM 0 H ASN A 33 -13.661 22.163 1.194 1.00 51.43 H new ATOM 0 HA ASN A 33 -12.366 23.483 2.497 1.00 1.44 H new ATOM 0 HB2 ASN A 33 -14.605 24.571 2.938 1.00 72.12 H new ATOM 0 HB3 ASN A 33 -14.690 23.653 4.428 1.00 72.12 H new ATOM 0 HD21 ASN A 33 -12.339 25.674 6.199 1.00 4.52 H new ATOM 0 HD22 ASN A 33 -13.207 24.135 6.156 1.00 4.52 H new ATOM 340 N LEU A 34 -11.833 21.065 3.627 1.00 71.01 N ATOM 341 CA LEU A 34 -11.194 20.084 4.432 1.00 0.51 C ATOM 342 C LEU A 34 -9.732 20.477 4.603 1.00 50.33 C ATOM 343 O LEU A 34 -9.304 21.543 4.175 1.00 74.15 O ATOM 344 CB LEU A 34 -11.367 18.666 3.797 1.00 21.44 C ATOM 345 CG LEU A 34 -12.827 18.176 3.686 1.00 12.42 C ATOM 346 CD1 LEU A 34 -12.971 16.938 2.772 1.00 11.43 C ATOM 347 CD2 LEU A 34 -13.399 17.866 5.059 1.00 43.33 C ATOM 0 H LEU A 34 -11.722 20.910 2.625 1.00 71.01 H new ATOM 0 HA LEU A 34 -11.652 20.037 5.420 1.00 0.51 H new ATOM 0 HB2 LEU A 34 -10.925 18.674 2.801 1.00 21.44 H new ATOM 0 HB3 LEU A 34 -10.802 17.947 4.390 1.00 21.44 H new ATOM 0 HG LEU A 34 -13.391 18.990 3.231 1.00 12.42 H new ATOM 0 HD11 LEU A 34 -14.018 16.636 2.730 1.00 11.43 H new ATOM 0 HD12 LEU A 34 -12.624 17.184 1.769 1.00 11.43 H new ATOM 0 HD13 LEU A 34 -12.373 16.119 3.172 1.00 11.43 H new ATOM 0 HD21 LEU A 34 -14.428 17.523 4.955 1.00 43.33 H new ATOM 0 HD22 LEU A 34 -12.803 17.087 5.534 1.00 43.33 H new ATOM 0 HD23 LEU A 34 -13.377 18.766 5.674 1.00 43.33 H new ATOM 359 N THR A 35 -8.991 19.667 5.254 1.00 13.34 N ATOM 360 CA THR A 35 -7.608 19.931 5.544 1.00 63.11 C ATOM 361 C THR A 35 -7.007 18.556 5.668 1.00 73.13 C ATOM 362 O THR A 35 -7.741 17.675 6.022 1.00 3.31 O ATOM 363 CB THR A 35 -7.522 20.680 6.917 1.00 72.50 C ATOM 364 OG1 THR A 35 -8.422 21.795 6.912 1.00 42.32 O ATOM 365 CG2 THR A 35 -6.121 21.195 7.207 1.00 74.34 C ATOM 0 H THR A 35 -9.323 18.774 5.617 1.00 13.34 H new ATOM 0 HA THR A 35 -7.105 20.543 4.795 1.00 63.11 H new ATOM 0 HB THR A 35 -7.790 19.962 7.692 1.00 72.50 H new ATOM 0 HG1 THR A 35 -8.369 22.262 7.772 1.00 42.32 H new ATOM 0 HG21 THR A 35 -6.113 21.707 8.169 1.00 74.34 H new ATOM 0 HG22 THR A 35 -5.424 20.357 7.236 1.00 74.34 H new ATOM 0 HG23 THR A 35 -5.820 21.891 6.424 1.00 74.34 H new ATOM 373 N PRO A 36 -5.729 18.307 5.333 1.00 3.21 N ATOM 374 CA PRO A 36 -5.133 16.956 5.469 1.00 72.22 C ATOM 375 C PRO A 36 -5.351 16.339 6.872 1.00 73.22 C ATOM 376 O PRO A 36 -5.591 15.161 6.995 1.00 11.23 O ATOM 377 CB PRO A 36 -3.651 17.192 5.195 1.00 53.21 C ATOM 378 CG PRO A 36 -3.626 18.379 4.295 1.00 11.32 C ATOM 379 CD PRO A 36 -4.768 19.261 4.731 1.00 51.04 C ATOM 0 HA PRO A 36 -5.593 16.240 4.788 1.00 72.22 H new ATOM 0 HB2 PRO A 36 -3.101 17.381 6.117 1.00 53.21 H new ATOM 0 HB3 PRO A 36 -3.191 16.324 4.722 1.00 53.21 H new ATOM 0 HG2 PRO A 36 -2.675 18.906 4.372 1.00 11.32 H new ATOM 0 HG3 PRO A 36 -3.741 18.080 3.253 1.00 11.32 H new ATOM 0 HD2 PRO A 36 -4.443 20.012 5.451 1.00 51.04 H new ATOM 0 HD3 PRO A 36 -5.207 19.796 3.889 1.00 51.04 H new ATOM 387 N GLN A 37 -5.332 17.175 7.907 1.00 13.23 N ATOM 388 CA GLN A 37 -5.554 16.709 9.289 1.00 75.42 C ATOM 389 C GLN A 37 -7.054 16.471 9.569 1.00 64.34 C ATOM 390 O GLN A 37 -7.440 16.113 10.665 1.00 71.24 O ATOM 391 CB GLN A 37 -4.996 17.707 10.336 1.00 45.15 C ATOM 392 CG GLN A 37 -3.548 18.154 10.123 1.00 53.51 C ATOM 393 CD GLN A 37 -3.425 19.314 9.145 1.00 43.35 C ATOM 394 OE1 GLN A 37 -3.306 19.131 7.943 1.00 73.14 O ATOM 395 NE2 GLN A 37 -3.455 20.517 9.659 1.00 72.51 N ATOM 0 H GLN A 37 -5.166 18.178 7.824 1.00 13.23 H new ATOM 0 HA GLN A 37 -5.015 15.766 9.383 1.00 75.42 H new ATOM 0 HB2 GLN A 37 -5.633 18.592 10.342 1.00 45.15 H new ATOM 0 HB3 GLN A 37 -5.074 17.251 11.323 1.00 45.15 H new ATOM 0 HG2 GLN A 37 -3.118 18.446 11.081 1.00 53.51 H new ATOM 0 HG3 GLN A 37 -2.963 17.311 9.755 1.00 53.51 H new ATOM 0 HE21 GLN A 37 -3.555 20.639 10.667 1.00 72.51 H new ATOM 0 HE22 GLN A 37 -3.378 21.333 9.052 1.00 72.51 H new ATOM 404 N GLN A 38 -7.880 16.726 8.576 1.00 3.33 N ATOM 405 CA GLN A 38 -9.300 16.531 8.663 1.00 13.04 C ATOM 406 C GLN A 38 -9.720 15.514 7.591 1.00 53.05 C ATOM 407 O GLN A 38 -10.799 14.918 7.647 1.00 41.00 O ATOM 408 CB GLN A 38 -9.997 17.887 8.415 1.00 45.02 C ATOM 409 CG GLN A 38 -11.495 17.836 8.501 1.00 62.23 C ATOM 410 CD GLN A 38 -12.167 19.202 8.375 1.00 64.23 C ATOM 411 OE1 GLN A 38 -13.229 19.423 8.919 1.00 61.35 O ATOM 412 NE2 GLN A 38 -11.539 20.132 7.687 1.00 21.02 N ATOM 0 H GLN A 38 -7.571 17.081 7.671 1.00 3.33 H new ATOM 0 HA GLN A 38 -9.583 16.155 9.646 1.00 13.04 H new ATOM 0 HB2 GLN A 38 -9.627 18.611 9.142 1.00 45.02 H new ATOM 0 HB3 GLN A 38 -9.714 18.253 7.428 1.00 45.02 H new ATOM 0 HG2 GLN A 38 -11.873 17.182 7.715 1.00 62.23 H new ATOM 0 HG3 GLN A 38 -11.780 17.388 9.453 1.00 62.23 H new ATOM 0 HE21 GLN A 38 -10.647 19.920 7.239 1.00 21.02 H new ATOM 0 HE22 GLN A 38 -11.944 21.064 7.602 1.00 21.02 H new ATOM 421 N LEU A 39 -8.832 15.284 6.654 1.00 54.21 N ATOM 422 CA LEU A 39 -9.112 14.481 5.515 1.00 23.13 C ATOM 423 C LEU A 39 -8.023 13.432 5.362 1.00 64.55 C ATOM 424 O LEU A 39 -7.025 13.617 4.677 1.00 24.20 O ATOM 425 CB LEU A 39 -9.331 15.396 4.265 1.00 3.34 C ATOM 426 CG LEU A 39 -9.881 14.777 2.959 1.00 4.53 C ATOM 427 CD1 LEU A 39 -8.786 14.217 2.077 1.00 10.22 C ATOM 428 CD2 LEU A 39 -10.914 13.707 3.265 1.00 42.41 C ATOM 0 H LEU A 39 -7.884 15.660 6.673 1.00 54.21 H new ATOM 0 HA LEU A 39 -10.044 13.928 5.633 1.00 23.13 H new ATOM 0 HB2 LEU A 39 -10.011 16.196 4.560 1.00 3.34 H new ATOM 0 HB3 LEU A 39 -8.374 15.862 4.029 1.00 3.34 H new ATOM 0 HG LEU A 39 -10.359 15.585 2.404 1.00 4.53 H new ATOM 0 HD11 LEU A 39 -9.227 13.795 1.174 1.00 10.22 H new ATOM 0 HD12 LEU A 39 -8.095 15.014 1.805 1.00 10.22 H new ATOM 0 HD13 LEU A 39 -8.247 13.438 2.616 1.00 10.22 H new ATOM 0 HD21 LEU A 39 -11.288 13.285 2.332 1.00 42.41 H new ATOM 0 HD22 LEU A 39 -10.455 12.919 3.862 1.00 42.41 H new ATOM 0 HD23 LEU A 39 -11.741 14.148 3.821 1.00 42.41 H new ATOM 440 N HIS A 40 -8.212 12.418 6.136 1.00 55.42 N ATOM 441 CA HIS A 40 -7.394 11.232 6.214 1.00 64.25 C ATOM 442 C HIS A 40 -8.029 10.178 5.359 1.00 62.31 C ATOM 443 O HIS A 40 -9.210 10.303 4.997 1.00 54.12 O ATOM 444 CB HIS A 40 -7.455 10.629 7.611 1.00 64.13 C ATOM 445 CG HIS A 40 -6.845 11.334 8.761 1.00 21.31 C ATOM 446 ND1 HIS A 40 -6.177 10.643 9.728 1.00 31.13 N ATOM 447 CD2 HIS A 40 -6.954 12.604 9.209 1.00 62.35 C ATOM 448 CE1 HIS A 40 -5.920 11.450 10.723 1.00 1.20 C ATOM 449 NE2 HIS A 40 -6.360 12.677 10.471 1.00 74.50 N ATOM 0 H HIS A 40 -8.999 12.384 6.784 1.00 55.42 H new ATOM 0 HA HIS A 40 -6.379 11.505 5.926 1.00 64.25 H new ATOM 0 HB2 HIS A 40 -8.507 10.475 7.849 1.00 64.13 H new ATOM 0 HB3 HIS A 40 -6.993 9.643 7.556 1.00 64.13 H new ATOM 0 HD1 HIS A 40 -5.920 9.657 9.682 1.00 31.13 H new ATOM 0 HD2 HIS A 40 -7.421 13.423 8.681 1.00 62.35 H new ATOM 0 HE1 HIS A 40 -5.415 11.157 11.632 1.00 1.20 H new ATOM 457 N GLU A 41 -7.296 9.115 5.085 1.00 30.44 N ATOM 458 CA GLU A 41 -7.861 7.932 4.441 1.00 14.43 C ATOM 459 C GLU A 41 -8.930 7.357 5.392 1.00 2.24 C ATOM 460 O GLU A 41 -9.914 6.743 4.972 1.00 13.55 O ATOM 461 CB GLU A 41 -6.765 6.880 4.220 1.00 53.11 C ATOM 462 CG GLU A 41 -5.629 7.324 3.317 1.00 14.35 C ATOM 463 CD GLU A 41 -6.073 7.583 1.902 1.00 13.32 C ATOM 464 OE1 GLU A 41 -5.986 6.667 1.057 1.00 50.01 O ATOM 465 OE2 GLU A 41 -6.484 8.706 1.593 1.00 31.25 O1- ATOM 0 H GLU A 41 -6.301 9.042 5.298 1.00 30.44 H new ATOM 0 HA GLU A 41 -8.292 8.194 3.475 1.00 14.43 H new ATOM 0 HB2 GLU A 41 -6.352 6.598 5.188 1.00 53.11 H new ATOM 0 HB3 GLU A 41 -7.220 5.986 3.795 1.00 53.11 H new ATOM 0 HG2 GLU A 41 -5.181 8.231 3.724 1.00 14.35 H new ATOM 0 HG3 GLU A 41 -4.853 6.559 3.315 1.00 14.35 H new ATOM 472 N GLU A 42 -8.712 7.649 6.675 1.00 74.31 N ATOM 473 CA GLU A 42 -9.535 7.261 7.808 1.00 61.43 C ATOM 474 C GLU A 42 -10.780 8.172 7.942 1.00 60.42 C ATOM 475 O GLU A 42 -11.690 7.878 8.723 1.00 54.53 O ATOM 476 CB GLU A 42 -8.691 7.402 9.119 1.00 21.15 C ATOM 477 CG GLU A 42 -7.355 6.657 9.141 1.00 15.02 C ATOM 478 CD GLU A 42 -6.218 7.495 8.587 1.00 62.23 C ATOM 479 OE1 GLU A 42 -6.092 7.611 7.357 1.00 42.20 O ATOM 480 OE2 GLU A 42 -5.481 8.088 9.391 1.00 64.00 O1- ATOM 0 H GLU A 42 -7.902 8.198 6.963 1.00 74.31 H new ATOM 0 HA GLU A 42 -9.863 6.233 7.651 1.00 61.43 H new ATOM 0 HB2 GLU A 42 -8.497 8.461 9.290 1.00 21.15 H new ATOM 0 HB3 GLU A 42 -9.294 7.050 9.955 1.00 21.15 H new ATOM 0 HG2 GLU A 42 -7.122 6.364 10.165 1.00 15.02 H new ATOM 0 HG3 GLU A 42 -7.444 5.739 8.559 1.00 15.02 H new ATOM 487 N SER A 43 -10.824 9.260 7.197 1.00 63.21 N ATOM 488 CA SER A 43 -11.936 10.179 7.288 1.00 61.53 C ATOM 489 C SER A 43 -13.148 9.678 6.514 1.00 62.32 C ATOM 490 O SER A 43 -13.083 9.442 5.295 1.00 72.22 O ATOM 491 CB SER A 43 -11.545 11.581 6.816 1.00 43.52 C ATOM 492 OG SER A 43 -10.523 12.138 7.634 1.00 53.43 O ATOM 0 H SER A 43 -10.104 9.526 6.525 1.00 63.21 H new ATOM 0 HA SER A 43 -12.210 10.237 8.341 1.00 61.53 H new ATOM 0 HB2 SER A 43 -11.202 11.536 5.782 1.00 43.52 H new ATOM 0 HB3 SER A 43 -12.421 12.230 6.833 1.00 43.52 H new ATOM 0 HG SER A 43 -10.599 13.115 7.632 1.00 53.43 H new ATOM 498 N ASN A 44 -14.239 9.489 7.233 1.00 51.02 N ATOM 499 CA ASN A 44 -15.498 9.102 6.636 1.00 70.53 C ATOM 500 C ASN A 44 -16.032 10.279 5.833 1.00 52.01 C ATOM 501 O ASN A 44 -16.395 11.306 6.391 1.00 33.11 O ATOM 502 CB ASN A 44 -16.511 8.656 7.724 1.00 51.31 C ATOM 503 CG ASN A 44 -17.869 8.166 7.174 1.00 12.15 C ATOM 504 OD1 ASN A 44 -18.352 8.605 6.129 1.00 41.42 O ATOM 505 ND2 ASN A 44 -18.495 7.265 7.889 1.00 52.14 N ATOM 0 H ASN A 44 -14.274 9.600 8.246 1.00 51.02 H new ATOM 0 HA ASN A 44 -15.348 8.250 5.973 1.00 70.53 H new ATOM 0 HB2 ASN A 44 -16.063 7.857 8.314 1.00 51.31 H new ATOM 0 HB3 ASN A 44 -16.688 9.491 8.402 1.00 51.31 H new ATOM 0 HD21 ASN A 44 -19.402 6.912 7.584 1.00 52.14 H new ATOM 0 HD22 ASN A 44 -18.075 6.916 8.751 1.00 52.14 H new ATOM 512 N LEU A 45 -16.069 10.119 4.534 1.00 23.04 N ATOM 513 CA LEU A 45 -16.477 11.184 3.631 1.00 1.43 C ATOM 514 C LEU A 45 -17.951 11.551 3.729 1.00 4.40 C ATOM 515 O LEU A 45 -18.307 12.706 3.546 1.00 42.11 O ATOM 516 CB LEU A 45 -16.055 10.894 2.196 1.00 33.15 C ATOM 517 CG LEU A 45 -14.562 11.102 1.883 1.00 11.40 C ATOM 518 CD1 LEU A 45 -14.264 10.656 0.484 1.00 11.11 C ATOM 519 CD2 LEU A 45 -14.181 12.577 2.054 1.00 70.30 C ATOM 0 H LEU A 45 -15.818 9.249 4.065 1.00 23.04 H new ATOM 0 HA LEU A 45 -15.941 12.072 3.966 1.00 1.43 H new ATOM 0 HB2 LEU A 45 -16.316 9.862 1.962 1.00 33.15 H new ATOM 0 HB3 LEU A 45 -16.639 11.529 1.530 1.00 33.15 H new ATOM 0 HG LEU A 45 -13.974 10.506 2.580 1.00 11.40 H new ATOM 0 HD11 LEU A 45 -13.206 10.807 0.272 1.00 11.11 H new ATOM 0 HD12 LEU A 45 -14.508 9.599 0.379 1.00 11.11 H new ATOM 0 HD13 LEU A 45 -14.861 11.237 -0.218 1.00 11.11 H new ATOM 0 HD21 LEU A 45 -13.122 12.708 1.829 1.00 70.30 H new ATOM 0 HD22 LEU A 45 -14.775 13.187 1.373 1.00 70.30 H new ATOM 0 HD23 LEU A 45 -14.375 12.886 3.081 1.00 70.30 H new ATOM 531 N ILE A 46 -18.798 10.600 4.062 1.00 14.12 N ATOM 532 CA ILE A 46 -20.222 10.900 4.220 1.00 60.40 C ATOM 533 C ILE A 46 -20.401 11.727 5.493 1.00 42.15 C ATOM 534 O ILE A 46 -21.185 12.666 5.541 1.00 21.33 O ATOM 535 CB ILE A 46 -21.091 9.603 4.284 1.00 61.34 C ATOM 536 CG1 ILE A 46 -21.010 8.810 2.963 1.00 72.52 C ATOM 537 CG2 ILE A 46 -22.545 9.903 4.654 1.00 34.13 C ATOM 538 CD1 ILE A 46 -21.485 9.555 1.736 1.00 61.34 C ATOM 0 H ILE A 46 -18.541 9.627 4.228 1.00 14.12 H new ATOM 0 HA ILE A 46 -20.562 11.461 3.350 1.00 60.40 H new ATOM 0 HB ILE A 46 -20.677 8.982 5.078 1.00 61.34 H new ATOM 0 HG12 ILE A 46 -19.976 8.503 2.805 1.00 72.52 H new ATOM 0 HG13 ILE A 46 -21.600 7.900 3.067 1.00 72.52 H new ATOM 0 HG21 ILE A 46 -23.112 8.972 4.687 1.00 34.13 H new ATOM 0 HG22 ILE A 46 -22.580 10.384 5.632 1.00 34.13 H new ATOM 0 HG23 ILE A 46 -22.981 10.567 3.908 1.00 34.13 H new ATOM 0 HD11 ILE A 46 -21.388 8.913 0.860 1.00 61.34 H new ATOM 0 HD12 ILE A 46 -22.530 9.839 1.864 1.00 61.34 H new ATOM 0 HD13 ILE A 46 -20.880 10.451 1.598 1.00 61.34 H new ATOM 550 N GLN A 47 -19.585 11.409 6.475 1.00 70.01 N ATOM 551 CA GLN A 47 -19.580 12.085 7.761 1.00 24.55 C ATOM 552 C GLN A 47 -18.979 13.489 7.602 1.00 22.41 C ATOM 553 O GLN A 47 -19.276 14.397 8.368 1.00 1.42 O ATOM 554 CB GLN A 47 -18.753 11.268 8.753 1.00 43.44 C ATOM 555 CG GLN A 47 -18.766 11.786 10.172 1.00 12.20 C ATOM 556 CD GLN A 47 -20.144 11.724 10.803 1.00 70.44 C ATOM 557 OE1 GLN A 47 -20.942 10.849 10.500 1.00 54.23 O ATOM 558 NE2 GLN A 47 -20.436 12.659 11.665 1.00 51.15 N ATOM 0 H GLN A 47 -18.894 10.662 6.404 1.00 70.01 H new ATOM 0 HA GLN A 47 -20.600 12.179 8.134 1.00 24.55 H new ATOM 0 HB2 GLN A 47 -19.122 10.242 8.753 1.00 43.44 H new ATOM 0 HB3 GLN A 47 -17.721 11.236 8.403 1.00 43.44 H new ATOM 0 HG2 GLN A 47 -18.068 11.204 10.774 1.00 12.20 H new ATOM 0 HG3 GLN A 47 -18.412 12.817 10.182 1.00 12.20 H new ATOM 0 HE21 GLN A 47 -19.746 13.374 11.895 1.00 51.15 H new ATOM 0 HE22 GLN A 47 -21.354 12.675 12.109 1.00 51.15 H new ATOM 567 N ALA A 48 -18.124 13.638 6.593 1.00 70.03 N ATOM 568 CA ALA A 48 -17.506 14.919 6.264 1.00 25.00 C ATOM 569 C ALA A 48 -18.504 15.811 5.534 1.00 64.32 C ATOM 570 O ALA A 48 -18.271 16.994 5.338 1.00 12.22 O ATOM 571 CB ALA A 48 -16.254 14.707 5.409 1.00 53.32 C ATOM 0 H ALA A 48 -17.840 12.873 5.980 1.00 70.03 H new ATOM 0 HA ALA A 48 -17.209 15.411 7.190 1.00 25.00 H new ATOM 0 HB1 ALA A 48 -15.807 15.673 5.173 1.00 53.32 H new ATOM 0 HB2 ALA A 48 -15.536 14.099 5.960 1.00 53.32 H new ATOM 0 HB3 ALA A 48 -16.527 14.198 4.484 1.00 53.32 H new ATOM 577 N GLY A 49 -19.607 15.219 5.128 1.00 35.20 N ATOM 578 CA GLY A 49 -20.643 15.954 4.473 1.00 21.30 C ATOM 579 C GLY A 49 -20.486 15.991 2.972 1.00 41.34 C ATOM 580 O GLY A 49 -20.856 16.973 2.328 1.00 23.31 O ATOM 0 H GLY A 49 -19.800 14.224 5.246 1.00 35.20 H new ATOM 0 HA2 GLY A 49 -21.607 15.510 4.720 1.00 21.30 H new ATOM 0 HA3 GLY A 49 -20.654 16.974 4.856 1.00 21.30 H new ATOM 584 N LEU A 50 -19.923 14.937 2.408 1.00 64.52 N ATOM 585 CA LEU A 50 -19.791 14.828 0.997 1.00 13.41 C ATOM 586 C LEU A 50 -21.142 14.479 0.443 1.00 43.20 C ATOM 587 O LEU A 50 -21.603 13.333 0.576 1.00 5.40 O ATOM 588 CB LEU A 50 -18.798 13.737 0.660 1.00 23.21 C ATOM 589 CG LEU A 50 -18.158 13.845 -0.699 1.00 42.05 C ATOM 590 CD1 LEU A 50 -17.259 15.075 -0.813 1.00 3.41 C ATOM 591 CD2 LEU A 50 -17.378 12.634 -0.990 1.00 15.25 C ATOM 0 H LEU A 50 -19.550 14.143 2.929 1.00 64.52 H new ATOM 0 HA LEU A 50 -19.432 15.764 0.569 1.00 13.41 H new ATOM 0 HB2 LEU A 50 -18.012 13.739 1.415 1.00 23.21 H new ATOM 0 HB3 LEU A 50 -19.304 12.774 0.729 1.00 23.21 H new ATOM 0 HG LEU A 50 -18.962 13.950 -1.428 1.00 42.05 H new ATOM 0 HD11 LEU A 50 -16.819 15.113 -1.809 1.00 3.41 H new ATOM 0 HD12 LEU A 50 -17.850 15.975 -0.643 1.00 3.41 H new ATOM 0 HD13 LEU A 50 -16.466 15.016 -0.068 1.00 3.41 H new ATOM 0 HD21 LEU A 50 -16.920 12.724 -1.975 1.00 15.25 H new ATOM 0 HD22 LEU A 50 -16.599 12.514 -0.237 1.00 15.25 H new ATOM 0 HD23 LEU A 50 -18.036 11.765 -0.974 1.00 15.25 H new ATOM 603 N ASP A 51 -21.816 15.479 -0.096 1.00 31.13 N ATOM 604 CA ASP A 51 -23.127 15.292 -0.680 1.00 4.41 C ATOM 605 C ASP A 51 -23.050 14.320 -1.833 1.00 4.14 C ATOM 606 O ASP A 51 -21.969 14.060 -2.396 1.00 32.22 O ATOM 607 CB ASP A 51 -23.765 16.617 -1.141 1.00 5.31 C ATOM 608 CG ASP A 51 -23.012 17.281 -2.268 1.00 64.14 C ATOM 609 OD1 ASP A 51 -23.175 16.860 -3.432 1.00 54.04 O ATOM 610 OD2 ASP A 51 -22.245 18.218 -1.999 1.00 74.45 O1- ATOM 0 H ASP A 51 -21.470 16.438 -0.140 1.00 31.13 H new ATOM 0 HA ASP A 51 -23.769 14.883 0.100 1.00 4.41 H new ATOM 0 HB2 ASP A 51 -24.790 16.427 -1.460 1.00 5.31 H new ATOM 0 HB3 ASP A 51 -23.816 17.302 -0.294 1.00 5.31 H new ATOM 615 N SER A 52 -24.170 13.803 -2.214 1.00 63.35 N ATOM 616 CA SER A 52 -24.185 12.792 -3.203 1.00 23.41 C ATOM 617 C SER A 52 -23.924 13.301 -4.617 1.00 41.55 C ATOM 618 O SER A 52 -23.593 12.507 -5.487 1.00 55.20 O ATOM 619 CB SER A 52 -25.424 11.967 -3.098 1.00 54.11 C ATOM 620 OG SER A 52 -25.540 11.469 -1.767 1.00 71.41 O ATOM 0 H SER A 52 -25.086 14.068 -1.851 1.00 63.35 H new ATOM 0 HA SER A 52 -23.335 12.142 -2.997 1.00 23.41 H new ATOM 0 HB2 SER A 52 -26.298 12.566 -3.353 1.00 54.11 H new ATOM 0 HB3 SER A 52 -25.387 11.140 -3.807 1.00 54.11 H new ATOM 0 HG SER A 52 -26.469 11.210 -1.594 1.00 71.41 H new ATOM 626 N ILE A 53 -24.008 14.615 -4.855 1.00 42.24 N ATOM 627 CA ILE A 53 -23.654 15.094 -6.167 1.00 64.20 C ATOM 628 C ILE A 53 -22.166 15.093 -6.231 1.00 73.23 C ATOM 629 O ILE A 53 -21.596 14.609 -7.193 1.00 23.34 O ATOM 630 CB ILE A 53 -24.166 16.504 -6.538 1.00 5.40 C ATOM 631 CG1 ILE A 53 -25.702 16.590 -6.386 1.00 44.42 C ATOM 632 CG2 ILE A 53 -23.740 16.824 -8.000 1.00 43.22 C ATOM 633 CD1 ILE A 53 -26.484 15.608 -7.248 1.00 12.44 C ATOM 0 H ILE A 53 -24.304 15.324 -4.184 1.00 42.24 H new ATOM 0 HA ILE A 53 -24.137 14.431 -6.885 1.00 64.20 H new ATOM 0 HB ILE A 53 -23.728 17.238 -5.861 1.00 5.40 H new ATOM 0 HG12 ILE A 53 -25.960 16.420 -5.341 1.00 44.42 H new ATOM 0 HG13 ILE A 53 -26.021 17.603 -6.632 1.00 44.42 H new ATOM 0 HG21 ILE A 53 -24.096 17.817 -8.274 1.00 43.22 H new ATOM 0 HG22 ILE A 53 -22.653 16.794 -8.077 1.00 43.22 H new ATOM 0 HG23 ILE A 53 -24.172 16.085 -8.675 1.00 43.22 H new ATOM 0 HD11 ILE A 53 -27.552 15.742 -7.075 1.00 12.44 H new ATOM 0 HD12 ILE A 53 -26.262 15.790 -8.299 1.00 12.44 H new ATOM 0 HD13 ILE A 53 -26.199 14.589 -6.988 1.00 12.44 H new ATOM 645 N ARG A 54 -21.530 15.588 -5.149 1.00 14.20 N ATOM 646 CA ARG A 54 -20.084 15.565 -5.005 1.00 21.12 C ATOM 647 C ARG A 54 -19.594 14.172 -5.286 1.00 11.40 C ATOM 648 O ARG A 54 -18.709 13.970 -6.119 1.00 53.33 O ATOM 649 CB ARG A 54 -19.679 15.924 -3.581 1.00 41.33 C ATOM 650 CG ARG A 54 -18.967 17.244 -3.410 1.00 40.41 C ATOM 651 CD ARG A 54 -19.827 18.428 -3.769 1.00 13.14 C ATOM 652 NE ARG A 54 -19.146 19.662 -3.413 1.00 20.30 N ATOM 653 CZ ARG A 54 -19.549 20.531 -2.498 1.00 31.34 C ATOM 654 NH1 ARG A 54 -20.706 20.352 -1.844 1.00 31.21 N1+ ATOM 655 NH2 ARG A 54 -18.761 21.564 -2.215 1.00 72.01 N ATOM 0 H ARG A 54 -22.016 16.012 -4.359 1.00 14.20 H new ATOM 0 HA ARG A 54 -19.653 16.287 -5.699 1.00 21.12 H new ATOM 0 HB2 ARG A 54 -20.575 15.934 -2.961 1.00 41.33 H new ATOM 0 HB3 ARG A 54 -19.034 15.133 -3.197 1.00 41.33 H new ATOM 0 HG2 ARG A 54 -18.638 17.342 -2.375 1.00 40.41 H new ATOM 0 HG3 ARG A 54 -18.072 17.251 -4.031 1.00 40.41 H new ATOM 0 HD2 ARG A 54 -20.046 18.419 -4.837 1.00 13.14 H new ATOM 0 HD3 ARG A 54 -20.782 18.366 -3.247 1.00 13.14 H new ATOM 0 HE ARG A 54 -18.282 19.878 -3.911 1.00 20.30 H new ATOM 0 HH11 ARG A 54 -21.287 19.539 -2.049 1.00 31.21 H new ATOM 0 HH12 ARG A 54 -21.005 21.029 -1.142 1.00 31.21 H new ATOM 0 HH21 ARG A 54 -17.870 21.673 -2.699 1.00 72.01 H new ATOM 0 HH22 ARG A 54 -19.048 22.247 -1.514 1.00 72.01 H new ATOM 669 N LEU A 55 -20.255 13.244 -4.634 1.00 34.14 N ATOM 670 CA LEU A 55 -19.994 11.828 -4.687 1.00 2.41 C ATOM 671 C LEU A 55 -20.114 11.290 -6.139 1.00 54.03 C ATOM 672 O LEU A 55 -19.179 10.685 -6.663 1.00 22.10 O ATOM 673 CB LEU A 55 -21.013 11.148 -3.747 1.00 41.53 C ATOM 674 CG LEU A 55 -20.714 9.738 -3.230 1.00 31.55 C ATOM 675 CD1 LEU A 55 -19.298 9.639 -2.726 1.00 51.22 C ATOM 676 CD2 LEU A 55 -21.636 9.443 -2.070 1.00 34.35 C ATOM 0 H LEU A 55 -21.034 13.473 -4.017 1.00 34.14 H new ATOM 0 HA LEU A 55 -18.975 11.611 -4.366 1.00 2.41 H new ATOM 0 HB2 LEU A 55 -21.146 11.796 -2.881 1.00 41.53 H new ATOM 0 HB3 LEU A 55 -21.970 11.112 -4.268 1.00 41.53 H new ATOM 0 HG LEU A 55 -20.858 9.032 -4.048 1.00 31.55 H new ATOM 0 HD11 LEU A 55 -19.110 8.628 -2.364 1.00 51.22 H new ATOM 0 HD12 LEU A 55 -18.606 9.869 -3.537 1.00 51.22 H new ATOM 0 HD13 LEU A 55 -19.151 10.349 -1.912 1.00 51.22 H new ATOM 0 HD21 LEU A 55 -21.435 8.441 -1.691 1.00 34.35 H new ATOM 0 HD22 LEU A 55 -21.468 10.172 -1.277 1.00 34.35 H new ATOM 0 HD23 LEU A 55 -22.672 9.503 -2.404 1.00 34.35 H new ATOM 688 N MET A 56 -21.237 11.561 -6.799 1.00 44.43 N ATOM 689 CA MET A 56 -21.459 11.035 -8.154 1.00 50.22 C ATOM 690 C MET A 56 -20.695 11.787 -9.240 1.00 54.01 C ATOM 691 O MET A 56 -20.523 11.261 -10.340 1.00 25.05 O ATOM 692 CB MET A 56 -22.942 10.892 -8.515 1.00 41.34 C ATOM 693 CG MET A 56 -23.720 12.186 -8.575 1.00 3.53 C ATOM 694 SD MET A 56 -25.472 11.928 -8.915 1.00 74.54 S ATOM 695 CE MET A 56 -25.938 10.891 -7.521 1.00 11.23 C ATOM 0 H MET A 56 -21.999 12.131 -6.431 1.00 44.43 H new ATOM 0 HA MET A 56 -21.040 10.029 -8.120 1.00 50.22 H new ATOM 0 HB2 MET A 56 -23.017 10.397 -9.483 1.00 41.34 H new ATOM 0 HB3 MET A 56 -23.415 10.236 -7.784 1.00 41.34 H new ATOM 0 HG2 MET A 56 -23.612 12.715 -7.628 1.00 3.53 H new ATOM 0 HG3 MET A 56 -23.294 12.826 -9.348 1.00 3.53 H new ATOM 0 HE1 MET A 56 -26.955 11.133 -7.212 1.00 11.23 H new ATOM 0 HE2 MET A 56 -25.887 9.842 -7.815 1.00 11.23 H new ATOM 0 HE3 MET A 56 -25.254 11.069 -6.691 1.00 11.23 H new ATOM 705 N ARG A 57 -20.241 13.016 -8.957 1.00 75.43 N ATOM 706 CA ARG A 57 -19.401 13.724 -9.926 1.00 10.13 C ATOM 707 C ARG A 57 -18.138 12.895 -10.131 1.00 25.32 C ATOM 708 O ARG A 57 -17.676 12.669 -11.254 1.00 15.31 O ATOM 709 CB ARG A 57 -18.927 15.075 -9.423 1.00 73.20 C ATOM 710 CG ARG A 57 -19.986 16.110 -9.132 1.00 41.43 C ATOM 711 CD ARG A 57 -19.333 17.313 -8.491 1.00 30.24 C ATOM 712 NE ARG A 57 -18.431 16.868 -7.420 1.00 43.14 N ATOM 713 CZ ARG A 57 -17.502 17.598 -6.823 1.00 41.02 C ATOM 714 NH1 ARG A 57 -17.461 18.917 -6.961 1.00 71.24 N1+ ATOM 715 NH2 ARG A 57 -16.619 17.009 -6.050 1.00 24.42 N ATOM 0 H ARG A 57 -20.434 13.525 -8.094 1.00 75.43 H new ATOM 0 HA ARG A 57 -19.997 13.868 -10.827 1.00 10.13 H new ATOM 0 HB2 ARG A 57 -18.352 14.914 -8.511 1.00 73.20 H new ATOM 0 HB3 ARG A 57 -18.242 15.490 -10.163 1.00 73.20 H new ATOM 0 HG2 ARG A 57 -20.491 16.401 -10.053 1.00 41.43 H new ATOM 0 HG3 ARG A 57 -20.746 15.696 -8.469 1.00 41.43 H new ATOM 0 HD2 ARG A 57 -18.777 17.879 -9.238 1.00 30.24 H new ATOM 0 HD3 ARG A 57 -20.094 17.981 -8.086 1.00 30.24 H new ATOM 0 HE ARG A 57 -18.530 15.903 -7.106 1.00 43.14 H new ATOM 0 HH11 ARG A 57 -18.156 19.391 -7.538 1.00 71.24 H new ATOM 0 HH12 ARG A 57 -16.735 19.457 -6.490 1.00 71.24 H new ATOM 0 HH21 ARG A 57 -16.653 15.999 -5.914 1.00 24.42 H new ATOM 0 HH22 ARG A 57 -15.899 17.562 -5.585 1.00 24.42 H new ATOM 729 N TRP A 58 -17.615 12.407 -8.993 1.00 2.32 N ATOM 730 CA TRP A 58 -16.399 11.618 -8.946 1.00 43.01 C ATOM 731 C TRP A 58 -16.578 10.293 -9.679 1.00 75.25 C ATOM 732 O TRP A 58 -15.646 9.780 -10.294 1.00 11.35 O ATOM 733 CB TRP A 58 -15.960 11.359 -7.500 1.00 44.32 C ATOM 734 CG TRP A 58 -15.531 12.577 -6.696 1.00 41.24 C ATOM 735 CD1 TRP A 58 -15.966 12.932 -5.442 1.00 1.31 C ATOM 736 CD2 TRP A 58 -14.575 13.583 -7.077 1.00 55.31 C ATOM 737 NE1 TRP A 58 -15.320 14.046 -5.010 1.00 64.22 N ATOM 738 CE2 TRP A 58 -14.457 14.475 -5.996 1.00 72.54 C ATOM 739 CE3 TRP A 58 -13.795 13.808 -8.217 1.00 21.42 C ATOM 740 CZ2 TRP A 58 -13.588 15.567 -6.026 1.00 11.42 C ATOM 741 CZ3 TRP A 58 -12.944 14.892 -8.242 1.00 55.55 C ATOM 742 CH2 TRP A 58 -12.845 15.755 -7.154 1.00 42.23 C ATOM 0 H TRP A 58 -18.038 12.558 -8.077 1.00 2.32 H new ATOM 0 HA TRP A 58 -15.620 12.193 -9.446 1.00 43.01 H new ATOM 0 HB2 TRP A 58 -16.783 10.875 -6.974 1.00 44.32 H new ATOM 0 HB3 TRP A 58 -15.132 10.651 -7.516 1.00 44.32 H new ATOM 0 HD1 TRP A 58 -16.717 12.399 -4.878 1.00 1.31 H new ATOM 0 HE1 TRP A 58 -15.452 14.493 -4.103 1.00 64.22 H new ATOM 0 HE3 TRP A 58 -13.859 13.142 -9.065 1.00 21.42 H new ATOM 0 HZ2 TRP A 58 -13.507 16.240 -5.185 1.00 11.42 H new ATOM 0 HZ3 TRP A 58 -12.344 15.075 -9.121 1.00 55.55 H new ATOM 0 HH2 TRP A 58 -12.165 16.592 -7.204 1.00 42.23 H new ATOM 753 N LEU A 59 -17.798 9.776 -9.639 1.00 32.34 N ATOM 754 CA LEU A 59 -18.172 8.531 -10.310 1.00 4.43 C ATOM 755 C LEU A 59 -17.866 8.652 -11.817 1.00 54.41 C ATOM 756 O LEU A 59 -17.469 7.683 -12.474 1.00 53.32 O ATOM 757 CB LEU A 59 -19.685 8.253 -10.027 1.00 4.41 C ATOM 758 CG LEU A 59 -20.337 6.910 -10.474 1.00 11.44 C ATOM 759 CD1 LEU A 59 -20.558 6.827 -11.976 1.00 44.44 C ATOM 760 CD2 LEU A 59 -19.524 5.725 -9.991 1.00 12.31 C ATOM 0 H LEU A 59 -18.569 10.213 -9.134 1.00 32.34 H new ATOM 0 HA LEU A 59 -17.596 7.687 -9.931 1.00 4.43 H new ATOM 0 HB2 LEU A 59 -19.833 8.340 -8.951 1.00 4.41 H new ATOM 0 HB3 LEU A 59 -20.253 9.058 -10.493 1.00 4.41 H new ATOM 0 HG LEU A 59 -21.322 6.879 -10.008 1.00 11.44 H new ATOM 0 HD11 LEU A 59 -21.014 5.869 -12.224 1.00 44.44 H new ATOM 0 HD12 LEU A 59 -21.217 7.636 -12.292 1.00 44.44 H new ATOM 0 HD13 LEU A 59 -19.601 6.917 -12.490 1.00 44.44 H new ATOM 0 HD21 LEU A 59 -20.000 4.800 -10.316 1.00 12.31 H new ATOM 0 HD22 LEU A 59 -18.518 5.780 -10.407 1.00 12.31 H new ATOM 0 HD23 LEU A 59 -19.468 5.741 -8.903 1.00 12.31 H new ATOM 772 N HIS A 60 -18.056 9.838 -12.356 1.00 42.44 N ATOM 773 CA HIS A 60 -17.735 10.090 -13.743 1.00 50.24 C ATOM 774 C HIS A 60 -16.230 10.365 -13.888 1.00 12.35 C ATOM 775 O HIS A 60 -15.582 9.845 -14.797 1.00 74.03 O ATOM 776 CB HIS A 60 -18.564 11.266 -14.289 1.00 72.35 C ATOM 777 CG HIS A 60 -18.431 11.462 -15.774 1.00 31.14 C ATOM 778 ND1 HIS A 60 -17.699 12.469 -16.364 1.00 32.34 N ATOM 779 CD2 HIS A 60 -18.968 10.749 -16.792 1.00 61.41 C ATOM 780 CE1 HIS A 60 -17.814 12.335 -17.691 1.00 14.03 C ATOM 781 NE2 HIS A 60 -18.575 11.302 -17.998 1.00 31.02 N ATOM 0 H HIS A 60 -18.431 10.642 -11.854 1.00 42.44 H new ATOM 0 HA HIS A 60 -17.986 9.206 -14.329 1.00 50.24 H new ATOM 0 HB2 HIS A 60 -19.614 11.103 -14.046 1.00 72.35 H new ATOM 0 HB3 HIS A 60 -18.258 12.181 -13.782 1.00 72.35 H new ATOM 0 HD2 HIS A 60 -19.604 9.883 -16.680 1.00 61.41 H new ATOM 0 HE1 HIS A 60 -17.346 12.986 -18.414 1.00 14.03 H new ATOM 0 HE2 HIS A 60 -18.823 10.978 -18.933 1.00 31.02 H new ATOM 789 N TRP A 61 -15.698 11.143 -12.941 1.00 35.34 N ATOM 790 CA TRP A 61 -14.291 11.587 -12.914 1.00 72.12 C ATOM 791 C TRP A 61 -13.301 10.420 -13.054 1.00 41.41 C ATOM 792 O TRP A 61 -12.314 10.537 -13.745 1.00 1.43 O ATOM 793 CB TRP A 61 -14.011 12.360 -11.607 1.00 62.32 C ATOM 794 CG TRP A 61 -12.616 12.930 -11.489 1.00 14.21 C ATOM 795 CD1 TRP A 61 -12.216 14.184 -11.826 1.00 3.15 C ATOM 796 CD2 TRP A 61 -11.450 12.270 -10.981 1.00 70.24 C ATOM 797 NE1 TRP A 61 -10.880 14.340 -11.584 1.00 4.34 N ATOM 798 CE2 TRP A 61 -10.387 13.183 -11.063 1.00 31.31 C ATOM 799 CE3 TRP A 61 -11.204 10.997 -10.475 1.00 60.45 C ATOM 800 CZ2 TRP A 61 -9.105 12.864 -10.657 1.00 12.12 C ATOM 801 CZ3 TRP A 61 -9.935 10.684 -10.073 1.00 2.51 C ATOM 802 CH2 TRP A 61 -8.901 11.613 -10.165 1.00 4.53 C ATOM 0 H TRP A 61 -16.241 11.492 -12.152 1.00 35.34 H new ATOM 0 HA TRP A 61 -14.142 12.240 -13.774 1.00 72.12 H new ATOM 0 HB2 TRP A 61 -14.729 13.176 -11.524 1.00 62.32 H new ATOM 0 HB3 TRP A 61 -14.187 11.693 -10.763 1.00 62.32 H new ATOM 0 HD1 TRP A 61 -12.863 14.950 -12.228 1.00 3.15 H new ATOM 0 HE1 TRP A 61 -10.340 15.186 -11.765 1.00 4.34 H new ATOM 0 HE3 TRP A 61 -12.000 10.271 -10.401 1.00 60.45 H new ATOM 0 HZ2 TRP A 61 -8.299 13.579 -10.728 1.00 12.12 H new ATOM 0 HZ3 TRP A 61 -9.731 9.700 -9.678 1.00 2.51 H new ATOM 0 HH2 TRP A 61 -7.911 11.332 -9.837 1.00 4.53 H new ATOM 813 N PHE A 62 -13.557 9.332 -12.369 1.00 35.52 N ATOM 814 CA PHE A 62 -12.682 8.152 -12.428 1.00 60.53 C ATOM 815 C PHE A 62 -12.636 7.526 -13.813 1.00 43.42 C ATOM 816 O PHE A 62 -11.572 7.327 -14.409 1.00 3.13 O ATOM 817 CB PHE A 62 -13.203 7.075 -11.502 1.00 2.23 C ATOM 818 CG PHE A 62 -12.837 7.160 -10.064 1.00 20.32 C ATOM 819 CD1 PHE A 62 -13.355 8.131 -9.243 1.00 71.23 C ATOM 820 CD2 PHE A 62 -12.015 6.200 -9.524 1.00 22.01 C ATOM 821 CE1 PHE A 62 -13.056 8.146 -7.905 1.00 11.04 C ATOM 822 CE2 PHE A 62 -11.703 6.213 -8.187 1.00 43.13 C ATOM 823 CZ PHE A 62 -12.227 7.184 -7.377 1.00 5.21 C ATOM 0 H PHE A 62 -14.365 9.224 -11.756 1.00 35.52 H new ATOM 0 HA PHE A 62 -11.689 8.502 -12.146 1.00 60.53 H new ATOM 0 HB2 PHE A 62 -14.291 7.072 -11.571 1.00 2.23 H new ATOM 0 HB3 PHE A 62 -12.857 6.113 -11.879 1.00 2.23 H new ATOM 0 HD1 PHE A 62 -14.004 8.890 -9.655 1.00 71.23 H new ATOM 0 HD2 PHE A 62 -11.610 5.426 -10.159 1.00 22.01 H new ATOM 0 HE1 PHE A 62 -13.471 8.912 -7.267 1.00 11.04 H new ATOM 0 HE2 PHE A 62 -11.047 5.460 -7.776 1.00 43.13 H new ATOM 0 HZ PHE A 62 -11.990 7.195 -6.323 1.00 5.21 H new ATOM 833 N ARG A 63 -13.797 7.260 -14.319 1.00 15.22 N ATOM 834 CA ARG A 63 -13.993 6.420 -15.480 1.00 13.33 C ATOM 835 C ARG A 63 -13.378 6.918 -16.796 1.00 24.52 C ATOM 836 O ARG A 63 -13.276 6.139 -17.729 1.00 15.32 O ATOM 837 CB ARG A 63 -15.453 6.019 -15.629 1.00 11.32 C ATOM 838 CG ARG A 63 -15.982 5.182 -14.474 1.00 42.33 C ATOM 839 CD ARG A 63 -17.462 4.908 -14.652 1.00 63.31 C ATOM 840 NE ARG A 63 -18.241 6.158 -14.628 1.00 75.20 N ATOM 841 CZ ARG A 63 -19.152 6.538 -15.540 1.00 60.25 C ATOM 842 NH1 ARG A 63 -19.390 5.779 -16.618 1.00 73.23 N1+ ATOM 843 NH2 ARG A 63 -19.819 7.686 -15.374 1.00 61.31 N ATOM 0 H ARG A 63 -14.667 7.627 -13.932 1.00 15.22 H new ATOM 0 HA ARG A 63 -13.404 5.528 -15.268 1.00 13.33 H new ATOM 0 HB2 ARG A 63 -16.060 6.920 -15.720 1.00 11.32 H new ATOM 0 HB3 ARG A 63 -15.573 5.459 -16.556 1.00 11.32 H new ATOM 0 HG2 ARG A 63 -15.436 4.240 -14.419 1.00 42.33 H new ATOM 0 HG3 ARG A 63 -15.813 5.704 -13.532 1.00 42.33 H new ATOM 0 HD2 ARG A 63 -17.628 4.391 -15.597 1.00 63.31 H new ATOM 0 HD3 ARG A 63 -17.810 4.244 -13.860 1.00 63.31 H new ATOM 0 HE ARG A 63 -18.074 6.793 -13.848 1.00 75.20 H new ATOM 0 HH11 ARG A 63 -18.878 4.907 -16.751 1.00 73.23 H new ATOM 0 HH12 ARG A 63 -20.083 6.074 -17.306 1.00 73.23 H new ATOM 0 HH21 ARG A 63 -19.635 8.269 -14.558 1.00 61.31 H new ATOM 0 HH22 ARG A 63 -20.511 7.978 -16.064 1.00 61.31 H new ATOM 857 N LYS A 64 -12.948 8.190 -16.872 1.00 54.22 N ATOM 858 CA LYS A 64 -12.368 8.719 -18.136 1.00 5.10 C ATOM 859 C LYS A 64 -11.085 7.958 -18.538 1.00 21.21 C ATOM 860 O LYS A 64 -10.707 7.944 -19.692 1.00 42.53 O ATOM 861 CB LYS A 64 -12.082 10.256 -18.093 1.00 65.32 C ATOM 862 CG LYS A 64 -10.724 10.712 -17.492 1.00 51.10 C ATOM 863 CD LYS A 64 -10.576 10.385 -16.024 1.00 31.02 C ATOM 864 CE LYS A 64 -9.279 10.932 -15.438 1.00 45.43 C ATOM 865 NZ LYS A 64 -9.214 10.751 -13.968 1.00 3.10 N1+ ATOM 0 H LYS A 64 -12.985 8.859 -16.103 1.00 54.22 H new ATOM 0 HA LYS A 64 -13.134 8.554 -18.894 1.00 5.10 H new ATOM 0 HB2 LYS A 64 -12.146 10.639 -19.111 1.00 65.32 H new ATOM 0 HB3 LYS A 64 -12.880 10.732 -17.523 1.00 65.32 H new ATOM 0 HG2 LYS A 64 -9.913 10.238 -18.045 1.00 51.10 H new ATOM 0 HG3 LYS A 64 -10.618 11.788 -17.629 1.00 51.10 H new ATOM 0 HD2 LYS A 64 -11.423 10.797 -15.475 1.00 31.02 H new ATOM 0 HD3 LYS A 64 -10.605 9.304 -15.890 1.00 31.02 H new ATOM 0 HE2 LYS A 64 -8.431 10.430 -15.903 1.00 45.43 H new ATOM 0 HE3 LYS A 64 -9.192 11.992 -15.677 1.00 45.43 H new ATOM 0 HZ1 LYS A 64 -8.414 11.295 -13.586 1.00 3.10 H new ATOM 0 HZ2 LYS A 64 -10.099 11.087 -13.537 1.00 3.10 H new ATOM 0 HZ3 LYS A 64 -9.083 9.743 -13.748 1.00 3.10 H new ATOM 879 N ASN A 65 -10.432 7.333 -17.564 1.00 40.22 N ATOM 880 CA ASN A 65 -9.207 6.579 -17.838 1.00 3.33 C ATOM 881 C ASN A 65 -9.486 5.097 -17.578 1.00 53.11 C ATOM 882 O ASN A 65 -8.589 4.288 -17.301 1.00 62.54 O ATOM 883 CB ASN A 65 -8.046 7.097 -16.958 1.00 62.23 C ATOM 884 CG ASN A 65 -6.674 6.587 -17.414 1.00 3.31 C ATOM 885 OD1 ASN A 65 -6.456 6.328 -18.583 1.00 45.23 O ATOM 886 ND2 ASN A 65 -5.742 6.456 -16.499 1.00 63.12 N ATOM 0 H ASN A 65 -10.724 7.331 -16.587 1.00 40.22 H new ATOM 0 HA ASN A 65 -8.906 6.712 -18.877 1.00 3.33 H new ATOM 0 HB2 ASN A 65 -8.045 8.187 -16.972 1.00 62.23 H new ATOM 0 HB3 ASN A 65 -8.216 6.792 -15.926 1.00 62.23 H new ATOM 0 HD21 ASN A 65 -4.812 6.131 -16.762 1.00 63.12 H new ATOM 0 HD22 ASN A 65 -5.948 6.679 -15.525 1.00 63.12 H new ATOM 893 N GLY A 66 -10.758 4.750 -17.677 1.00 10.23 N ATOM 894 CA GLY A 66 -11.194 3.393 -17.479 1.00 64.41 C ATOM 895 C GLY A 66 -11.025 2.933 -16.052 1.00 35.52 C ATOM 896 O GLY A 66 -10.553 1.826 -15.803 1.00 42.34 O ATOM 0 H GLY A 66 -11.509 5.404 -17.896 1.00 10.23 H new ATOM 0 HA2 GLY A 66 -12.243 3.307 -17.763 1.00 64.41 H new ATOM 0 HA3 GLY A 66 -10.630 2.734 -18.139 1.00 64.41 H new ATOM 900 N TYR A 67 -11.364 3.784 -15.110 1.00 31.52 N ATOM 901 CA TYR A 67 -11.269 3.407 -13.718 1.00 12.22 C ATOM 902 C TYR A 67 -12.501 2.736 -13.226 1.00 33.00 C ATOM 903 O TYR A 67 -13.549 2.774 -13.872 1.00 52.11 O ATOM 904 CB TYR A 67 -10.824 4.522 -12.791 1.00 1.22 C ATOM 905 CG TYR A 67 -9.403 4.914 -12.993 1.00 60.22 C ATOM 906 CD1 TYR A 67 -9.041 6.229 -13.080 1.00 12.53 C ATOM 907 CD2 TYR A 67 -8.424 3.955 -13.129 1.00 51.24 C ATOM 908 CE1 TYR A 67 -7.734 6.587 -13.301 1.00 72.13 C ATOM 909 CE2 TYR A 67 -7.127 4.297 -13.340 1.00 75.34 C ATOM 910 CZ TYR A 67 -6.781 5.617 -13.427 1.00 45.22 C ATOM 911 OH TYR A 67 -5.470 5.966 -13.663 1.00 40.34 O ATOM 0 H TYR A 67 -11.704 4.731 -15.279 1.00 31.52 H new ATOM 0 HA TYR A 67 -10.462 2.675 -13.690 1.00 12.22 H new ATOM 0 HB2 TYR A 67 -11.461 5.393 -12.947 1.00 1.22 H new ATOM 0 HB3 TYR A 67 -10.964 4.205 -11.757 1.00 1.22 H new ATOM 0 HD1 TYR A 67 -9.793 6.997 -12.973 1.00 12.53 H new ATOM 0 HD2 TYR A 67 -8.693 2.911 -13.067 1.00 51.24 H new ATOM 0 HE1 TYR A 67 -7.461 7.629 -13.375 1.00 72.13 H new ATOM 0 HE2 TYR A 67 -6.373 3.530 -13.439 1.00 75.34 H new ATOM 0 HH TYR A 67 -4.952 5.163 -13.879 1.00 40.34 H new ATOM 921 N ARG A 68 -12.386 2.167 -12.074 1.00 34.25 N ATOM 922 CA ARG A 68 -13.419 1.304 -11.564 1.00 53.05 C ATOM 923 C ARG A 68 -14.034 1.848 -10.337 1.00 22.30 C ATOM 924 O ARG A 68 -13.321 2.127 -9.381 1.00 25.44 O ATOM 925 CB ARG A 68 -12.860 -0.085 -11.200 1.00 61.12 C ATOM 926 CG ARG A 68 -13.829 -0.891 -10.323 1.00 24.31 C ATOM 927 CD ARG A 68 -13.158 -2.015 -9.572 1.00 24.14 C ATOM 928 NE ARG A 68 -13.991 -2.431 -8.431 1.00 62.42 N ATOM 929 CZ ARG A 68 -13.792 -3.497 -7.662 1.00 50.44 C ATOM 930 NH1 ARG A 68 -12.818 -4.376 -7.952 1.00 1.31 N1+ ATOM 931 NH2 ARG A 68 -14.558 -3.675 -6.589 1.00 43.33 N ATOM 0 H ARG A 68 -11.582 2.280 -11.456 1.00 34.25 H new ATOM 0 HA ARG A 68 -14.160 1.230 -12.360 1.00 53.05 H new ATOM 0 HB2 ARG A 68 -12.652 -0.641 -12.114 1.00 61.12 H new ATOM 0 HB3 ARG A 68 -11.912 0.033 -10.676 1.00 61.12 H new ATOM 0 HG2 ARG A 68 -14.306 -0.220 -9.609 1.00 24.31 H new ATOM 0 HG3 ARG A 68 -14.619 -1.303 -10.950 1.00 24.31 H new ATOM 0 HD2 ARG A 68 -12.993 -2.861 -10.239 1.00 24.14 H new ATOM 0 HD3 ARG A 68 -12.179 -1.693 -9.219 1.00 24.14 H new ATOM 0 HE ARG A 68 -14.797 -1.846 -8.210 1.00 62.42 H new ATOM 0 HH11 ARG A 68 -12.224 -4.228 -8.768 1.00 1.31 H new ATOM 0 HH12 ARG A 68 -12.673 -5.191 -7.356 1.00 1.31 H new ATOM 0 HH21 ARG A 68 -15.287 -2.998 -6.365 1.00 43.33 H new ATOM 0 HH22 ARG A 68 -14.416 -4.489 -5.990 1.00 43.33 H new ATOM 945 N LEU A 69 -15.320 2.084 -10.395 1.00 14.30 N ATOM 946 CA LEU A 69 -16.099 2.222 -9.195 1.00 14.44 C ATOM 947 C LEU A 69 -17.551 2.215 -9.499 1.00 15.02 C ATOM 948 O LEU A 69 -17.992 2.763 -10.522 1.00 33.23 O ATOM 949 CB LEU A 69 -15.749 3.440 -8.322 1.00 51.41 C ATOM 950 CG LEU A 69 -16.184 4.829 -8.775 1.00 34.32 C ATOM 951 CD1 LEU A 69 -15.700 5.830 -7.773 1.00 71.10 C ATOM 952 CD2 LEU A 69 -15.673 5.171 -10.158 1.00 53.41 C ATOM 0 H LEU A 69 -15.848 2.184 -11.262 1.00 14.30 H new ATOM 0 HA LEU A 69 -15.834 1.349 -8.598 1.00 14.44 H new ATOM 0 HB2 LEU A 69 -16.175 3.269 -7.334 1.00 51.41 H new ATOM 0 HB3 LEU A 69 -14.666 3.458 -8.203 1.00 51.41 H new ATOM 0 HG LEU A 69 -17.272 4.848 -8.836 1.00 34.32 H new ATOM 0 HD11 LEU A 69 -16.003 6.830 -8.082 1.00 71.10 H new ATOM 0 HD12 LEU A 69 -16.131 5.606 -6.797 1.00 71.10 H new ATOM 0 HD13 LEU A 69 -14.613 5.784 -7.709 1.00 71.10 H new ATOM 0 HD21 LEU A 69 -16.010 6.170 -10.434 1.00 53.41 H new ATOM 0 HD22 LEU A 69 -14.583 5.142 -10.161 1.00 53.41 H new ATOM 0 HD23 LEU A 69 -16.057 4.447 -10.877 1.00 53.41 H new ATOM 964 N THR A 70 -18.271 1.554 -8.692 1.00 12.31 N ATOM 965 CA THR A 70 -19.659 1.702 -8.679 1.00 24.20 C ATOM 966 C THR A 70 -19.911 2.545 -7.453 1.00 72.33 C ATOM 967 O THR A 70 -19.216 2.398 -6.443 1.00 71.11 O ATOM 968 CB THR A 70 -20.424 0.349 -8.621 1.00 65.14 C ATOM 969 OG1 THR A 70 -20.064 -0.384 -7.465 1.00 71.45 O ATOM 970 CG2 THR A 70 -20.144 -0.490 -9.862 1.00 33.05 C ATOM 0 H THR A 70 -17.907 0.886 -8.013 1.00 12.31 H new ATOM 0 HA THR A 70 -20.026 2.158 -9.598 1.00 24.20 H new ATOM 0 HB THR A 70 -21.489 0.576 -8.581 1.00 65.14 H new ATOM 0 HG1 THR A 70 -19.095 -0.531 -7.459 1.00 71.45 H new ATOM 0 HG21 THR A 70 -20.691 -1.431 -9.796 1.00 33.05 H new ATOM 0 HG22 THR A 70 -20.465 0.055 -10.750 1.00 33.05 H new ATOM 0 HG23 THR A 70 -19.076 -0.695 -9.929 1.00 33.05 H new ATOM 978 N LEU A 71 -20.845 3.436 -7.509 1.00 74.00 N ATOM 979 CA LEU A 71 -21.000 4.383 -6.425 1.00 2.51 C ATOM 980 C LEU A 71 -21.474 3.711 -5.148 1.00 13.02 C ATOM 981 O LEU A 71 -21.220 4.198 -4.054 1.00 11.04 O ATOM 982 CB LEU A 71 -21.928 5.476 -6.806 1.00 45.12 C ATOM 983 CG LEU A 71 -21.785 6.772 -6.037 1.00 33.43 C ATOM 984 CD1 LEU A 71 -20.416 7.313 -6.275 1.00 1.34 C ATOM 985 CD2 LEU A 71 -22.834 7.773 -6.476 1.00 51.24 C ATOM 0 H LEU A 71 -21.509 3.538 -8.276 1.00 74.00 H new ATOM 0 HA LEU A 71 -20.016 4.809 -6.230 1.00 2.51 H new ATOM 0 HB2 LEU A 71 -21.789 5.689 -7.866 1.00 45.12 H new ATOM 0 HB3 LEU A 71 -22.950 5.116 -6.684 1.00 45.12 H new ATOM 0 HG LEU A 71 -21.931 6.586 -4.973 1.00 33.43 H new ATOM 0 HD11 LEU A 71 -20.294 8.248 -5.728 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -19.675 6.592 -5.930 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -20.277 7.495 -7.341 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -22.714 8.697 -5.911 1.00 51.24 H new ATOM 0 HD22 LEU A 71 -22.717 7.980 -7.540 1.00 51.24 H new ATOM 0 HD23 LEU A 71 -23.827 7.363 -6.293 1.00 51.24 H new ATOM 997 N ARG A 72 -22.129 2.562 -5.292 1.00 64.42 N ATOM 998 CA ARG A 72 -22.634 1.822 -4.145 1.00 53.45 C ATOM 999 C ARG A 72 -21.436 1.362 -3.283 1.00 51.31 C ATOM 1000 O ARG A 72 -21.574 1.158 -2.072 1.00 52.43 O ATOM 1001 CB ARG A 72 -23.521 0.619 -4.616 1.00 60.44 C ATOM 1002 CG ARG A 72 -24.524 0.086 -3.582 1.00 73.23 C ATOM 1003 CD ARG A 72 -23.846 -0.666 -2.477 1.00 4.40 C ATOM 1004 NE ARG A 72 -24.706 -0.848 -1.295 1.00 14.02 N ATOM 1005 CZ ARG A 72 -24.446 -0.307 -0.076 1.00 42.41 C ATOM 1006 NH1 ARG A 72 -23.365 0.462 0.098 1.00 32.00 N1+ ATOM 1007 NH2 ARG A 72 -25.269 -0.536 0.954 1.00 42.41 N ATOM 0 H ARG A 72 -22.321 2.125 -6.193 1.00 64.42 H new ATOM 0 HA ARG A 72 -23.272 2.461 -3.535 1.00 53.45 H new ATOM 0 HB2 ARG A 72 -24.072 0.924 -5.506 1.00 60.44 H new ATOM 0 HB3 ARG A 72 -22.864 -0.199 -4.913 1.00 60.44 H new ATOM 0 HG2 ARG A 72 -25.088 0.919 -3.161 1.00 73.23 H new ATOM 0 HG3 ARG A 72 -25.242 -0.567 -4.077 1.00 73.23 H new ATOM 0 HD2 ARG A 72 -23.534 -1.643 -2.847 1.00 4.40 H new ATOM 0 HD3 ARG A 72 -22.942 -0.133 -2.183 1.00 4.40 H new ATOM 0 HE ARG A 72 -25.548 -1.415 -1.398 1.00 14.02 H new ATOM 0 HH11 ARG A 72 -22.736 0.642 -0.684 1.00 32.00 H new ATOM 0 HH12 ARG A 72 -23.170 0.868 1.013 1.00 32.00 H new ATOM 0 HH21 ARG A 72 -26.096 -1.119 0.826 1.00 42.41 H new ATOM 0 HH22 ARG A 72 -25.069 -0.128 1.867 1.00 42.41 H new ATOM 1021 N GLU A 73 -20.260 1.294 -3.906 1.00 51.25 N ATOM 1022 CA GLU A 73 -19.028 0.888 -3.200 1.00 11.01 C ATOM 1023 C GLU A 73 -18.575 2.016 -2.295 1.00 40.30 C ATOM 1024 O GLU A 73 -18.106 1.796 -1.173 1.00 10.03 O ATOM 1025 CB GLU A 73 -17.907 0.507 -4.187 1.00 61.04 C ATOM 1026 CG GLU A 73 -18.225 -0.725 -5.008 1.00 20.13 C ATOM 1027 CD GLU A 73 -17.213 -1.021 -6.113 1.00 52.45 C ATOM 1028 OE1 GLU A 73 -17.363 -0.456 -7.222 1.00 72.34 O ATOM 1029 OE2 GLU A 73 -16.298 -1.848 -5.908 1.00 53.25 O1- ATOM 0 H GLU A 73 -20.126 1.512 -4.893 1.00 51.25 H new ATOM 0 HA GLU A 73 -19.248 0.003 -2.603 1.00 11.01 H new ATOM 0 HB2 GLU A 73 -17.724 1.345 -4.859 1.00 61.04 H new ATOM 0 HB3 GLU A 73 -16.985 0.337 -3.631 1.00 61.04 H new ATOM 0 HG2 GLU A 73 -18.281 -1.586 -4.343 1.00 20.13 H new ATOM 0 HG3 GLU A 73 -19.211 -0.604 -5.457 1.00 20.13 H new ATOM 1036 N LEU A 74 -18.792 3.230 -2.758 1.00 10.41 N ATOM 1037 CA LEU A 74 -18.412 4.414 -1.993 1.00 34.13 C ATOM 1038 C LEU A 74 -19.370 4.593 -0.823 1.00 43.43 C ATOM 1039 O LEU A 74 -19.006 5.108 0.221 1.00 52.13 O ATOM 1040 CB LEU A 74 -18.405 5.684 -2.856 1.00 73.32 C ATOM 1041 CG LEU A 74 -17.632 5.627 -4.178 1.00 12.35 C ATOM 1042 CD1 LEU A 74 -17.410 7.026 -4.715 1.00 31.12 C ATOM 1043 CD2 LEU A 74 -16.317 4.895 -4.023 1.00 73.43 C ATOM 0 H LEU A 74 -19.228 3.429 -3.658 1.00 10.41 H new ATOM 0 HA LEU A 74 -17.396 4.261 -1.628 1.00 34.13 H new ATOM 0 HB2 LEU A 74 -19.439 5.946 -3.080 1.00 73.32 H new ATOM 0 HB3 LEU A 74 -17.993 6.497 -2.258 1.00 73.32 H new ATOM 0 HG LEU A 74 -18.232 5.067 -4.895 1.00 12.35 H new ATOM 0 HD11 LEU A 74 -16.860 6.972 -5.654 1.00 31.12 H new ATOM 0 HD12 LEU A 74 -18.373 7.507 -4.886 1.00 31.12 H new ATOM 0 HD13 LEU A 74 -16.837 7.607 -3.992 1.00 31.12 H new ATOM 0 HD21 LEU A 74 -15.797 4.875 -4.981 1.00 73.43 H new ATOM 0 HD22 LEU A 74 -15.700 5.408 -3.286 1.00 73.43 H new ATOM 0 HD23 LEU A 74 -16.506 3.874 -3.691 1.00 73.43 H new ATOM 1055 N TYR A 75 -20.602 4.148 -1.019 1.00 74.45 N ATOM 1056 CA TYR A 75 -21.610 4.151 0.038 1.00 54.23 C ATOM 1057 C TYR A 75 -21.475 2.891 0.916 1.00 43.25 C ATOM 1058 O TYR A 75 -22.329 2.617 1.761 1.00 45.10 O ATOM 1059 CB TYR A 75 -23.032 4.161 -0.537 1.00 11.33 C ATOM 1060 CG TYR A 75 -23.556 5.435 -1.161 1.00 5.14 C ATOM 1061 CD1 TYR A 75 -23.432 5.677 -2.516 1.00 63.32 C ATOM 1062 CD2 TYR A 75 -24.253 6.362 -0.392 1.00 10.31 C ATOM 1063 CE1 TYR A 75 -23.982 6.800 -3.093 1.00 1.11 C ATOM 1064 CE2 TYR A 75 -24.796 7.498 -0.961 1.00 51.35 C ATOM 1065 CZ TYR A 75 -24.659 7.709 -2.313 1.00 4.02 C ATOM 1066 OH TYR A 75 -25.224 8.815 -2.897 1.00 13.51 O ATOM 0 H TYR A 75 -20.933 3.776 -1.909 1.00 74.45 H new ATOM 0 HA TYR A 75 -21.444 5.054 0.626 1.00 54.23 H new ATOM 0 HB2 TYR A 75 -23.089 3.376 -1.291 1.00 11.33 H new ATOM 0 HB3 TYR A 75 -23.715 3.881 0.265 1.00 11.33 H new ATOM 0 HD1 TYR A 75 -22.894 4.973 -3.133 1.00 63.32 H new ATOM 0 HD2 TYR A 75 -24.372 6.191 0.668 1.00 10.31 H new ATOM 0 HE1 TYR A 75 -23.882 6.967 -4.155 1.00 1.11 H new ATOM 0 HE2 TYR A 75 -25.324 8.214 -0.349 1.00 51.35 H new ATOM 0 HH TYR A 75 -25.233 9.555 -2.255 1.00 13.51 H new ATOM 1076 N ALA A 76 -20.466 2.084 0.659 1.00 51.14 N ATOM 1077 CA ALA A 76 -20.233 0.890 1.457 1.00 1.02 C ATOM 1078 C ALA A 76 -19.167 1.192 2.472 1.00 61.54 C ATOM 1079 O ALA A 76 -19.355 0.999 3.667 1.00 13.23 O ATOM 1080 CB ALA A 76 -19.837 -0.294 0.581 1.00 0.23 C ATOM 0 H ALA A 76 -19.793 2.230 -0.094 1.00 51.14 H new ATOM 0 HA ALA A 76 -21.155 0.610 1.967 1.00 1.02 H new ATOM 0 HB1 ALA A 76 -19.670 -1.170 1.207 1.00 0.23 H new ATOM 0 HB2 ALA A 76 -20.636 -0.503 -0.130 1.00 0.23 H new ATOM 0 HB3 ALA A 76 -18.922 -0.056 0.039 1.00 0.23 H new ATOM 1086 N ALA A 77 -18.059 1.685 1.991 1.00 14.51 N ATOM 1087 CA ALA A 77 -16.993 2.114 2.842 1.00 42.01 C ATOM 1088 C ALA A 77 -16.662 3.547 2.485 1.00 64.50 C ATOM 1089 O ALA A 77 -15.835 3.805 1.605 1.00 64.52 O ATOM 1090 CB ALA A 77 -15.771 1.210 2.700 1.00 71.22 C ATOM 0 H ALA A 77 -17.873 1.799 0.995 1.00 14.51 H new ATOM 0 HA ALA A 77 -17.302 2.052 3.885 1.00 42.01 H new ATOM 0 HB1 ALA A 77 -14.979 1.563 3.360 1.00 71.22 H new ATOM 0 HB2 ALA A 77 -16.040 0.189 2.970 1.00 71.22 H new ATOM 0 HB3 ALA A 77 -15.420 1.232 1.668 1.00 71.22 H new ATOM 1096 N PRO A 78 -17.333 4.515 3.105 1.00 24.15 N ATOM 1097 CA PRO A 78 -17.141 5.885 2.753 1.00 15.14 C ATOM 1098 C PRO A 78 -15.930 6.491 3.426 1.00 3.21 C ATOM 1099 O PRO A 78 -16.016 7.087 4.488 1.00 41.23 O ATOM 1100 CB PRO A 78 -18.427 6.571 3.200 1.00 14.24 C ATOM 1101 CG PRO A 78 -19.081 5.645 4.191 1.00 21.54 C ATOM 1102 CD PRO A 78 -18.314 4.344 4.184 1.00 72.13 C ATOM 0 HA PRO A 78 -16.949 6.003 1.687 1.00 15.14 H new ATOM 0 HB2 PRO A 78 -18.213 7.538 3.655 1.00 14.24 H new ATOM 0 HB3 PRO A 78 -19.084 6.757 2.350 1.00 14.24 H new ATOM 0 HG2 PRO A 78 -19.075 6.086 5.188 1.00 21.54 H new ATOM 0 HG3 PRO A 78 -20.124 5.475 3.924 1.00 21.54 H new ATOM 0 HD2 PRO A 78 -17.826 4.163 5.142 1.00 72.13 H new ATOM 0 HD3 PRO A 78 -18.971 3.495 3.995 1.00 72.13 H new ATOM 1110 N THR A 79 -14.823 6.319 2.782 1.00 61.42 N ATOM 1111 CA THR A 79 -13.535 6.820 3.176 1.00 4.24 C ATOM 1112 C THR A 79 -12.752 6.936 1.906 1.00 0.34 C ATOM 1113 O THR A 79 -13.099 6.252 0.945 1.00 13.31 O ATOM 1114 CB THR A 79 -12.816 5.824 4.123 1.00 41.22 C ATOM 1115 OG1 THR A 79 -13.043 4.479 3.666 1.00 52.25 O ATOM 1116 CG2 THR A 79 -13.266 5.977 5.570 1.00 55.22 C ATOM 0 H THR A 79 -14.785 5.792 1.910 1.00 61.42 H new ATOM 0 HA THR A 79 -13.629 7.767 3.707 1.00 4.24 H new ATOM 0 HB THR A 79 -11.750 6.048 4.098 1.00 41.22 H new ATOM 0 HG1 THR A 79 -12.587 3.849 4.263 1.00 52.25 H new ATOM 0 HG21 THR A 79 -12.735 5.258 6.194 1.00 55.22 H new ATOM 0 HG22 THR A 79 -13.047 6.988 5.914 1.00 55.22 H new ATOM 0 HG23 THR A 79 -14.338 5.794 5.639 1.00 55.22 H new ATOM 1124 N LEU A 80 -11.740 7.774 1.874 1.00 12.33 N ATOM 1125 CA LEU A 80 -10.931 7.962 0.667 1.00 2.12 C ATOM 1126 C LEU A 80 -10.336 6.649 0.204 1.00 20.41 C ATOM 1127 O LEU A 80 -10.382 6.298 -0.988 1.00 4.55 O ATOM 1128 CB LEU A 80 -9.788 8.849 0.971 1.00 64.12 C ATOM 1129 CG LEU A 80 -10.110 10.252 1.369 1.00 62.11 C ATOM 1130 CD1 LEU A 80 -8.891 10.829 1.961 1.00 31.24 C ATOM 1131 CD2 LEU A 80 -10.530 11.072 0.163 1.00 13.12 C ATOM 0 H LEU A 80 -11.448 8.343 2.668 1.00 12.33 H new ATOM 0 HA LEU A 80 -11.582 8.381 -0.100 1.00 2.12 H new ATOM 0 HB2 LEU A 80 -9.209 8.393 1.774 1.00 64.12 H new ATOM 0 HB3 LEU A 80 -9.143 8.885 0.093 1.00 64.12 H new ATOM 0 HG LEU A 80 -10.936 10.260 2.080 1.00 62.11 H new ATOM 0 HD11 LEU A 80 -9.086 11.857 2.266 1.00 31.24 H new ATOM 0 HD12 LEU A 80 -8.596 10.242 2.831 1.00 31.24 H new ATOM 0 HD13 LEU A 80 -8.087 10.815 1.225 1.00 31.24 H new ATOM 0 HD21 LEU A 80 -10.760 12.090 0.477 1.00 13.12 H new ATOM 0 HD22 LEU A 80 -9.719 11.091 -0.564 1.00 13.12 H new ATOM 0 HD23 LEU A 80 -11.414 10.625 -0.291 1.00 13.12 H new ATOM 1143 N ALA A 81 -9.809 5.928 1.193 1.00 1.13 N ATOM 1144 CA ALA A 81 -9.110 4.649 1.027 1.00 4.35 C ATOM 1145 C ALA A 81 -9.827 3.694 0.084 1.00 45.32 C ATOM 1146 O ALA A 81 -9.199 3.111 -0.800 1.00 65.35 O ATOM 1147 CB ALA A 81 -8.917 3.981 2.379 1.00 34.23 C ATOM 0 H ALA A 81 -9.857 6.227 2.167 1.00 1.13 H new ATOM 0 HA ALA A 81 -8.144 4.879 0.577 1.00 4.35 H new ATOM 0 HB1 ALA A 81 -8.397 3.032 2.245 1.00 34.23 H new ATOM 0 HB2 ALA A 81 -8.326 4.631 3.025 1.00 34.23 H new ATOM 0 HB3 ALA A 81 -9.889 3.801 2.838 1.00 34.23 H new ATOM 1153 N ALA A 82 -11.141 3.572 0.241 1.00 23.52 N ATOM 1154 CA ALA A 82 -11.918 2.662 -0.583 1.00 32.22 C ATOM 1155 C ALA A 82 -11.850 3.041 -2.042 1.00 43.23 C ATOM 1156 O ALA A 82 -11.518 2.213 -2.865 1.00 63.44 O ATOM 1157 CB ALA A 82 -13.367 2.601 -0.142 1.00 14.24 C ATOM 0 H ALA A 82 -11.686 4.091 0.930 1.00 23.52 H new ATOM 0 HA ALA A 82 -11.475 1.675 -0.455 1.00 32.22 H new ATOM 0 HB1 ALA A 82 -13.914 1.910 -0.783 1.00 14.24 H new ATOM 0 HB2 ALA A 82 -13.419 2.256 0.891 1.00 14.24 H new ATOM 0 HB3 ALA A 82 -13.812 3.593 -0.216 1.00 14.24 H new ATOM 1163 N TRP A 83 -12.074 4.321 -2.346 1.00 54.11 N ATOM 1164 CA TRP A 83 -12.158 4.766 -3.742 1.00 70.25 C ATOM 1165 C TRP A 83 -10.769 4.650 -4.355 1.00 54.32 C ATOM 1166 O TRP A 83 -10.610 4.345 -5.531 1.00 12.44 O ATOM 1167 CB TRP A 83 -12.610 6.239 -3.911 1.00 5.35 C ATOM 1168 CG TRP A 83 -13.633 6.815 -2.987 1.00 30.44 C ATOM 1169 CD1 TRP A 83 -14.100 6.347 -1.800 1.00 3.43 C ATOM 1170 CD2 TRP A 83 -14.289 8.036 -3.212 1.00 73.00 C ATOM 1171 NE1 TRP A 83 -15.032 7.200 -1.297 1.00 23.42 N ATOM 1172 CE2 TRP A 83 -15.164 8.251 -2.149 1.00 13.44 C ATOM 1173 CE3 TRP A 83 -14.221 8.972 -4.235 1.00 31.40 C ATOM 1174 CZ2 TRP A 83 -15.967 9.364 -2.078 1.00 43.01 C ATOM 1175 CZ3 TRP A 83 -15.013 10.073 -4.162 1.00 34.14 C ATOM 1176 CH2 TRP A 83 -15.877 10.266 -3.094 1.00 72.53 C ATOM 0 H TRP A 83 -12.199 5.061 -1.655 1.00 54.11 H new ATOM 0 HA TRP A 83 -12.905 4.137 -4.226 1.00 70.25 H new ATOM 0 HB2 TRP A 83 -11.719 6.862 -3.838 1.00 5.35 H new ATOM 0 HB3 TRP A 83 -12.992 6.347 -4.926 1.00 5.35 H new ATOM 0 HD1 TRP A 83 -13.778 5.432 -1.326 1.00 3.43 H new ATOM 0 HE1 TRP A 83 -15.546 7.072 -0.425 1.00 23.42 H new ATOM 0 HE3 TRP A 83 -13.553 8.828 -5.071 1.00 31.40 H new ATOM 0 HZ2 TRP A 83 -16.643 9.517 -1.249 1.00 43.01 H new ATOM 0 HZ3 TRP A 83 -14.969 10.811 -4.949 1.00 34.14 H new ATOM 0 HH2 TRP A 83 -16.493 11.153 -3.068 1.00 72.53 H new ATOM 1187 N ASN A 84 -9.770 4.898 -3.514 1.00 74.50 N ATOM 1188 CA ASN A 84 -8.362 4.794 -3.888 1.00 71.40 C ATOM 1189 C ASN A 84 -8.062 3.357 -4.315 1.00 54.13 C ATOM 1190 O ASN A 84 -7.553 3.101 -5.417 1.00 12.10 O ATOM 1191 CB ASN A 84 -7.479 5.193 -2.683 1.00 72.12 C ATOM 1192 CG ASN A 84 -5.987 5.143 -2.970 1.00 15.03 C ATOM 1193 OD1 ASN A 84 -5.549 5.363 -4.083 1.00 52.53 O ATOM 1194 ND2 ASN A 84 -5.196 4.895 -1.949 1.00 42.31 N ATOM 0 H ASN A 84 -9.915 5.180 -2.544 1.00 74.50 H new ATOM 0 HA ASN A 84 -8.146 5.465 -4.719 1.00 71.40 H new ATOM 0 HB2 ASN A 84 -7.745 6.202 -2.368 1.00 72.12 H new ATOM 0 HB3 ASN A 84 -7.701 4.530 -1.847 1.00 72.12 H new ATOM 0 HD21 ASN A 84 -4.184 4.883 -2.079 1.00 42.31 H new ATOM 0 HD22 ASN A 84 -5.594 4.714 -1.027 1.00 42.31 H new ATOM 1201 N GLN A 85 -8.463 2.415 -3.476 1.00 32.14 N ATOM 1202 CA GLN A 85 -8.253 1.005 -3.746 1.00 51.04 C ATOM 1203 C GLN A 85 -9.135 0.501 -4.888 1.00 0.30 C ATOM 1204 O GLN A 85 -8.861 -0.552 -5.463 1.00 64.11 O ATOM 1205 CB GLN A 85 -8.447 0.154 -2.496 1.00 72.22 C ATOM 1206 CG GLN A 85 -7.454 0.459 -1.389 1.00 13.11 C ATOM 1207 CD GLN A 85 -7.627 -0.447 -0.194 1.00 2.42 C ATOM 1208 OE1 GLN A 85 -8.377 -0.154 0.720 1.00 4.15 O ATOM 1209 NE2 GLN A 85 -6.929 -1.557 -0.192 1.00 4.02 N ATOM 0 H GLN A 85 -8.940 2.606 -2.595 1.00 32.14 H new ATOM 0 HA GLN A 85 -7.215 0.902 -4.062 1.00 51.04 H new ATOM 0 HB2 GLN A 85 -9.458 0.306 -2.117 1.00 72.22 H new ATOM 0 HB3 GLN A 85 -8.363 -0.898 -2.767 1.00 72.22 H new ATOM 0 HG2 GLN A 85 -6.440 0.356 -1.776 1.00 13.11 H new ATOM 0 HG3 GLN A 85 -7.571 1.496 -1.075 1.00 13.11 H new ATOM 0 HE21 GLN A 85 -6.310 -1.772 -0.974 1.00 4.02 H new ATOM 0 HE22 GLN A 85 -7.005 -2.206 0.591 1.00 4.02 H new ATOM 1218 N LEU A 86 -10.181 1.245 -5.228 1.00 21.21 N ATOM 1219 CA LEU A 86 -11.040 0.886 -6.355 1.00 13.34 C ATOM 1220 C LEU A 86 -10.288 1.041 -7.679 1.00 64.31 C ATOM 1221 O LEU A 86 -10.634 0.427 -8.689 1.00 72.25 O ATOM 1222 CB LEU A 86 -12.378 1.656 -6.334 1.00 60.14 C ATOM 1223 CG LEU A 86 -13.244 1.393 -5.089 1.00 64.53 C ATOM 1224 CD1 LEU A 86 -14.552 2.096 -5.184 1.00 71.12 C ATOM 1225 CD2 LEU A 86 -13.466 -0.095 -4.848 1.00 42.25 C ATOM 0 H LEU A 86 -10.456 2.099 -4.742 1.00 21.21 H new ATOM 0 HA LEU A 86 -11.304 -0.167 -6.255 1.00 13.34 H new ATOM 0 HB2 LEU A 86 -12.170 2.724 -6.397 1.00 60.14 H new ATOM 0 HB3 LEU A 86 -12.950 1.390 -7.223 1.00 60.14 H new ATOM 0 HG LEU A 86 -12.693 1.791 -4.237 1.00 64.53 H new ATOM 0 HD11 LEU A 86 -15.141 1.891 -4.290 1.00 71.12 H new ATOM 0 HD12 LEU A 86 -14.383 3.169 -5.269 1.00 71.12 H new ATOM 0 HD13 LEU A 86 -15.092 1.743 -6.063 1.00 71.12 H new ATOM 0 HD21 LEU A 86 -14.082 -0.232 -3.959 1.00 42.25 H new ATOM 0 HD22 LEU A 86 -13.970 -0.532 -5.710 1.00 42.25 H new ATOM 0 HD23 LEU A 86 -12.505 -0.587 -4.702 1.00 42.25 H new ATOM 1237 N MET A 87 -9.214 1.831 -7.659 1.00 22.15 N ATOM 1238 CA MET A 87 -8.360 1.941 -8.824 1.00 64.05 C ATOM 1239 C MET A 87 -7.385 0.776 -8.873 1.00 33.21 C ATOM 1240 O MET A 87 -7.110 0.233 -9.949 1.00 13.34 O ATOM 1241 CB MET A 87 -7.592 3.266 -8.894 1.00 4.22 C ATOM 1242 CG MET A 87 -8.462 4.489 -9.084 1.00 33.40 C ATOM 1243 SD MET A 87 -7.492 5.970 -9.417 1.00 1.32 S ATOM 1244 CE MET A 87 -8.804 7.162 -9.665 1.00 53.31 C ATOM 0 H MET A 87 -8.924 2.393 -6.859 1.00 22.15 H new ATOM 0 HA MET A 87 -9.020 1.915 -9.691 1.00 64.05 H new ATOM 0 HB2 MET A 87 -7.015 3.385 -7.977 1.00 4.22 H new ATOM 0 HB3 MET A 87 -6.877 3.214 -9.715 1.00 4.22 H new ATOM 0 HG2 MET A 87 -9.153 4.316 -9.909 1.00 33.40 H new ATOM 0 HG3 MET A 87 -9.066 4.646 -8.190 1.00 33.40 H new ATOM 0 HE1 MET A 87 -8.382 8.095 -10.038 1.00 53.31 H new ATOM 0 HE2 MET A 87 -9.518 6.772 -10.390 1.00 53.31 H new ATOM 0 HE3 MET A 87 -9.312 7.346 -8.718 1.00 53.31 H new ATOM 1254 N LEU A 88 -6.865 0.380 -7.712 1.00 44.30 N ATOM 1255 CA LEU A 88 -5.926 -0.749 -7.649 1.00 24.12 C ATOM 1256 C LEU A 88 -6.606 -2.084 -7.846 1.00 73.10 C ATOM 1257 O LEU A 88 -6.016 -2.989 -8.355 1.00 31.33 O ATOM 1258 CB LEU A 88 -5.035 -0.774 -6.385 1.00 55.04 C ATOM 1259 CG LEU A 88 -3.958 0.321 -6.261 1.00 32.42 C ATOM 1260 CD1 LEU A 88 -3.190 0.484 -7.559 1.00 72.13 C ATOM 1261 CD2 LEU A 88 -4.542 1.632 -5.778 1.00 40.35 C ATOM 0 H LEU A 88 -7.071 0.814 -6.812 1.00 44.30 H new ATOM 0 HA LEU A 88 -5.256 -0.577 -8.491 1.00 24.12 H new ATOM 0 HB2 LEU A 88 -5.685 -0.709 -5.512 1.00 55.04 H new ATOM 0 HB3 LEU A 88 -4.538 -1.743 -6.341 1.00 55.04 H new ATOM 0 HG LEU A 88 -3.246 -0.002 -5.501 1.00 32.42 H new ATOM 0 HD11 LEU A 88 -2.437 1.263 -7.441 1.00 72.13 H new ATOM 0 HD12 LEU A 88 -2.702 -0.457 -7.813 1.00 72.13 H new ATOM 0 HD13 LEU A 88 -3.879 0.763 -8.357 1.00 72.13 H new ATOM 0 HD21 LEU A 88 -3.750 2.378 -5.704 1.00 40.35 H new ATOM 0 HD22 LEU A 88 -5.299 1.975 -6.483 1.00 40.35 H new ATOM 0 HD23 LEU A 88 -4.998 1.488 -4.798 1.00 40.35 H new ATOM 1273 N SER A 89 -7.867 -2.185 -7.508 1.00 3.03 N ATOM 1274 CA SER A 89 -8.598 -3.433 -7.709 1.00 30.21 C ATOM 1275 C SER A 89 -9.081 -3.568 -9.174 1.00 24.14 C ATOM 1276 O SER A 89 -9.941 -4.401 -9.505 1.00 71.54 O ATOM 1277 CB SER A 89 -9.748 -3.520 -6.708 1.00 10.33 C ATOM 1278 OG SER A 89 -10.516 -2.334 -6.716 1.00 10.43 O ATOM 0 H SER A 89 -8.415 -1.430 -7.095 1.00 3.03 H new ATOM 0 HA SER A 89 -7.929 -4.275 -7.528 1.00 30.21 H new ATOM 0 HB2 SER A 89 -10.384 -4.371 -6.952 1.00 10.33 H new ATOM 0 HB3 SER A 89 -9.352 -3.694 -5.708 1.00 10.33 H new ATOM 0 HG SER A 89 -10.054 -1.641 -6.199 1.00 10.43 H new ATOM 1284 N ARG A 90 -8.544 -2.703 -10.013 1.00 62.42 N ATOM 1285 CA ARG A 90 -8.743 -2.666 -11.399 1.00 23.30 C ATOM 1286 C ARG A 90 -7.349 -2.658 -12.102 1.00 22.41 C ATOM 1287 O ARG A 90 -7.247 -2.683 -13.326 1.00 61.35 O ATOM 1288 CB ARG A 90 -9.576 -1.385 -11.631 1.00 72.21 C ATOM 1289 CG ARG A 90 -9.608 -0.779 -13.004 1.00 2.31 C ATOM 1290 CD ARG A 90 -8.400 0.120 -13.243 1.00 60.14 C ATOM 1291 NE ARG A 90 -8.391 0.757 -14.559 1.00 32.11 N ATOM 1292 CZ ARG A 90 -7.282 1.053 -15.248 1.00 62.22 C ATOM 1293 NH1 ARG A 90 -6.088 0.641 -14.804 1.00 32.02 N1+ ATOM 1294 NH2 ARG A 90 -7.366 1.755 -16.377 1.00 63.41 N ATOM 0 H ARG A 90 -7.916 -1.966 -9.693 1.00 62.42 H new ATOM 0 HA ARG A 90 -9.271 -3.525 -11.813 1.00 23.30 H new ATOM 0 HB2 ARG A 90 -10.604 -1.604 -11.343 1.00 72.21 H new ATOM 0 HB3 ARG A 90 -9.208 -0.624 -10.943 1.00 72.21 H new ATOM 0 HG2 ARG A 90 -9.628 -1.571 -13.753 1.00 2.31 H new ATOM 0 HG3 ARG A 90 -10.524 -0.201 -13.127 1.00 2.31 H new ATOM 0 HD2 ARG A 90 -8.376 0.893 -12.475 1.00 60.14 H new ATOM 0 HD3 ARG A 90 -7.491 -0.470 -13.129 1.00 60.14 H new ATOM 0 HE ARG A 90 -9.290 0.992 -14.980 1.00 32.11 H new ATOM 0 HH11 ARG A 90 -6.023 0.102 -13.941 1.00 32.02 H new ATOM 0 HH12 ARG A 90 -5.243 0.867 -15.329 1.00 32.02 H new ATOM 0 HH21 ARG A 90 -8.276 2.067 -16.717 1.00 63.41 H new ATOM 0 HH22 ARG A 90 -6.521 1.980 -16.902 1.00 63.41 H new ATOM 1308 N SER A 91 -6.291 -2.672 -11.307 1.00 24.31 N ATOM 1309 CA SER A 91 -4.938 -2.518 -11.819 1.00 65.12 C ATOM 1310 C SER A 91 -3.993 -3.471 -11.050 1.00 65.31 C ATOM 1311 O SER A 91 -4.457 -4.244 -10.228 1.00 25.42 O ATOM 1312 CB SER A 91 -4.505 -1.054 -11.583 1.00 60.20 C ATOM 1313 OG SER A 91 -5.457 -0.132 -12.107 1.00 62.42 O ATOM 0 H SER A 91 -6.344 -2.790 -10.295 1.00 24.31 H new ATOM 0 HA SER A 91 -4.897 -2.757 -12.882 1.00 65.12 H new ATOM 0 HB2 SER A 91 -4.379 -0.879 -10.514 1.00 60.20 H new ATOM 0 HB3 SER A 91 -3.536 -0.881 -12.050 1.00 60.20 H new ATOM 0 HG SER A 91 -6.128 0.070 -11.422 1.00 62.42 H new ATOM 1319 N PRO A 92 -2.674 -3.498 -11.356 1.00 44.24 N ATOM 1320 CA PRO A 92 -1.716 -4.224 -10.528 1.00 63.21 C ATOM 1321 C PRO A 92 -1.352 -3.402 -9.283 1.00 42.23 C ATOM 1322 O PRO A 92 -1.472 -2.156 -9.292 1.00 1.30 O ATOM 1323 CB PRO A 92 -0.480 -4.383 -11.442 1.00 33.44 C ATOM 1324 CG PRO A 92 -0.902 -3.881 -12.787 1.00 24.15 C ATOM 1325 CD PRO A 92 -2.021 -2.919 -12.538 1.00 22.01 C ATOM 0 HA PRO A 92 -2.106 -5.177 -10.171 1.00 63.21 H new ATOM 0 HB2 PRO A 92 0.366 -3.812 -11.059 1.00 33.44 H new ATOM 0 HB3 PRO A 92 -0.164 -5.425 -11.495 1.00 33.44 H new ATOM 0 HG2 PRO A 92 -0.073 -3.391 -13.298 1.00 24.15 H new ATOM 0 HG3 PRO A 92 -1.229 -4.702 -13.425 1.00 24.15 H new ATOM 0 HD2 PRO A 92 -1.655 -1.910 -12.347 1.00 22.01 H new ATOM 0 HD3 PRO A 92 -2.700 -2.856 -13.388 1.00 22.01 H new ATOM 1333 N GLU A 93 -0.917 -4.077 -8.254 1.00 75.13 N ATOM 1334 CA GLU A 93 -0.533 -3.468 -7.012 1.00 74.22 C ATOM 1335 C GLU A 93 0.852 -4.012 -6.652 1.00 61.53 C ATOM 1336 O GLU A 93 0.936 -5.153 -6.189 1.00 70.41 O ATOM 1337 CB GLU A 93 -1.577 -3.799 -5.913 1.00 20.25 C ATOM 1338 CG GLU A 93 -1.282 -3.222 -4.520 1.00 53.14 C ATOM 1339 CD GLU A 93 -1.392 -1.707 -4.412 1.00 31.23 C ATOM 1340 OE1 GLU A 93 -0.676 -0.975 -5.118 1.00 61.35 O ATOM 1341 OE2 GLU A 93 -2.111 -1.205 -3.513 1.00 34.23 O1- ATOM 1342 OXT GLU A 93 1.857 -3.297 -6.896 1.00 38.23 O1- ATOM 0 H GLU A 93 -0.818 -5.092 -8.257 1.00 75.13 H new ATOM 0 HA GLU A 93 -0.494 -2.382 -7.098 1.00 74.22 H new ATOM 0 HB2 GLU A 93 -2.550 -3.432 -6.240 1.00 20.25 H new ATOM 0 HB3 GLU A 93 -1.657 -4.883 -5.828 1.00 20.25 H new ATOM 0 HG2 GLU A 93 -1.969 -3.673 -3.804 1.00 53.14 H new ATOM 0 HG3 GLU A 93 -0.275 -3.520 -4.226 1.00 53.14 H new TER 1349 GLU A 93