USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=15 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 15 ASN : amide:sc= -1.15 K(o=-0.23,f=-2.2) USER MOD Set 1.2: A 22 GLN : amide:sc= 0.128 K(o=-0.23,f=-5.9!) USER MOD Set 1.3: A 84 ASN : amide:sc= 0.796 K(o=-0.23,f=-5.9!) USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0.119 USER MOD Set 2.2: A 75 TYR OH : rot -152:sc= 0.0296 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 1.09 K(o=2.4,f=-7.1!) USER MOD Set 3.2: A 67 TYR OH : rot 60:sc= 1.31 USER MOD Single : A 21 TYR OH : rot -53:sc= -0.899 USER MOD Single : A 23 GLN : amide:sc= 0.247 K(o=0.25,f=-4.9!) USER MOD Single : A 30 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.27) USER MOD Single : A 33 ASN : amide:sc= -0.948 K(o=-0.95,f=-0.14) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.57 K(o=-0.57,f=-9.4!) USER MOD Single : A 38 GLN : amide:sc= -3.64! K(o=-3.6!,f=-0.35) USER MOD Single : A 40 HIS : no HE2:sc= -0.573! C(o=-0.57!,f=-7!) USER MOD Single : A 43 SER OG : rot 59:sc= 1.15 USER MOD Single : A 44 ASN : amide:sc= 0.138 K(o=0.14,f=-9.4!) USER MOD Single : A 47 GLN : amide:sc= -1.18 K(o=-1.2,f=-6!) USER MOD Single : A 56 MET CE :methyl 142:sc= -0.362 (180deg=-1.39!) USER MOD Single : A 60 HIS : no HE2:sc= 0.353 K(o=0.35,f=-2!) USER MOD Single : A 64 LYS NZ :NH3+ 134:sc= 1.31 (180deg=0.617!) USER MOD Single : A 65 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.26) USER MOD Single : A 70 THR OG1 : rot -55:sc= 0.87 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 85 GLN : amide:sc= 0.0814 X(o=0.081,f=0) USER MOD Single : A 87 MET CE :methyl -163:sc= -3.54! (180deg=-4.9) USER MOD Single : A 89 SER OG : rot 72:sc= 1.24 USER MOD Single : A 91 SER OG : rot 90:sc= 1.86 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 1.156 5.684 -2.843 1.00 54.01 N ATOM 2 CA ASP A 14 0.129 4.826 -2.218 1.00 1.33 C ATOM 3 C ASP A 14 -0.690 4.167 -3.312 1.00 63.22 C ATOM 4 O ASP A 14 -0.942 2.976 -3.274 1.00 34.55 O ATOM 5 CB ASP A 14 -0.772 5.671 -1.285 1.00 20.11 C ATOM 6 CG ASP A 14 -1.437 6.818 -2.016 1.00 5.33 C ATOM 7 OD1 ASP A 14 -0.725 7.523 -2.762 1.00 21.12 O ATOM 8 OD2 ASP A 14 -2.640 7.012 -1.876 1.00 34.20 O1- ATOM 0 HA ASP A 14 0.605 4.054 -1.614 1.00 1.33 H new ATOM 0 HB2 ASP A 14 -1.537 5.031 -0.844 1.00 20.11 H new ATOM 0 HB3 ASP A 14 -0.173 6.064 -0.463 1.00 20.11 H new ATOM 13 N ASN A 15 -1.059 4.942 -4.288 1.00 62.34 N ATOM 14 CA ASN A 15 -1.763 4.475 -5.452 1.00 71.44 C ATOM 15 C ASN A 15 -0.750 4.190 -6.568 1.00 61.32 C ATOM 16 O ASN A 15 0.411 4.604 -6.441 1.00 1.13 O ATOM 17 CB ASN A 15 -2.848 5.496 -5.834 1.00 73.54 C ATOM 18 CG ASN A 15 -2.412 6.950 -5.745 1.00 73.43 C ATOM 19 OD1 ASN A 15 -1.254 7.297 -5.976 1.00 23.34 O ATOM 20 ND2 ASN A 15 -3.327 7.798 -5.355 1.00 62.10 N ATOM 0 H ASN A 15 -0.875 5.945 -4.300 1.00 62.34 H new ATOM 0 HA ASN A 15 -2.282 3.537 -5.257 1.00 71.44 H new ATOM 0 HB2 ASN A 15 -3.178 5.291 -6.853 1.00 73.54 H new ATOM 0 HB3 ASN A 15 -3.711 5.349 -5.184 1.00 73.54 H new ATOM 0 HD21 ASN A 15 -3.091 8.783 -5.233 1.00 62.10 H new ATOM 0 HD22 ASN A 15 -4.277 7.475 -5.173 1.00 62.10 H new ATOM 27 N ARG A 16 -1.135 3.445 -7.625 1.00 2.25 N ATOM 28 CA ARG A 16 -0.135 3.037 -8.621 1.00 15.42 C ATOM 29 C ARG A 16 -0.312 3.750 -9.979 1.00 62.04 C ATOM 30 O ARG A 16 0.349 4.741 -10.243 1.00 51.44 O ATOM 31 CB ARG A 16 -0.279 1.551 -8.797 1.00 31.32 C ATOM 32 CG ARG A 16 -0.139 0.824 -7.487 1.00 12.21 C ATOM 33 CD ARG A 16 -0.320 -0.628 -7.663 1.00 41.44 C ATOM 34 NE ARG A 16 -1.687 -0.985 -8.096 1.00 0.25 N ATOM 35 CZ ARG A 16 -2.166 -2.236 -8.237 1.00 14.24 C ATOM 36 NH1 ARG A 16 -1.354 -3.281 -8.140 1.00 51.31 N1+ ATOM 37 NH2 ARG A 16 -3.422 -2.405 -8.615 1.00 31.10 N ATOM 0 H ARG A 16 -2.088 3.128 -7.804 1.00 2.25 H new ATOM 0 HA ARG A 16 0.858 3.314 -8.266 1.00 15.42 H new ATOM 0 HB2 ARG A 16 -1.252 1.328 -9.236 1.00 31.32 H new ATOM 0 HB3 ARG A 16 0.476 1.192 -9.496 1.00 31.32 H new ATOM 0 HG2 ARG A 16 0.845 1.022 -7.061 1.00 12.21 H new ATOM 0 HG3 ARG A 16 -0.875 1.202 -6.778 1.00 12.21 H new ATOM 0 HD2 ARG A 16 0.396 -0.992 -8.399 1.00 41.44 H new ATOM 0 HD3 ARG A 16 -0.097 -1.134 -6.724 1.00 41.44 H new ATOM 0 HE ARG A 16 -2.324 -0.217 -8.307 1.00 0.25 H new ATOM 0 HH11 ARG A 16 -0.360 -3.140 -7.958 1.00 51.31 H new ATOM 0 HH12 ARG A 16 -1.723 -4.226 -8.248 1.00 51.31 H new ATOM 0 HH21 ARG A 16 -4.014 -1.594 -8.795 1.00 31.10 H new ATOM 0 HH22 ARG A 16 -3.799 -3.346 -8.726 1.00 31.10 H new ATOM 51 N HIS A 17 -1.253 3.285 -10.801 1.00 72.24 N ATOM 52 CA HIS A 17 -1.696 4.007 -12.007 1.00 33.11 C ATOM 53 C HIS A 17 -2.679 5.016 -11.483 1.00 73.03 C ATOM 54 O HIS A 17 -2.818 6.148 -11.962 1.00 72.20 O ATOM 55 CB HIS A 17 -2.386 3.057 -13.009 1.00 3.44 C ATOM 56 CG HIS A 17 -2.688 3.666 -14.359 1.00 3.35 C ATOM 57 ND1 HIS A 17 -3.732 4.535 -14.611 1.00 12.31 N ATOM 58 CD2 HIS A 17 -2.057 3.501 -15.546 1.00 52.34 C ATOM 59 CE1 HIS A 17 -3.705 4.856 -15.904 1.00 1.13 C ATOM 60 NE2 HIS A 17 -2.707 4.257 -16.519 1.00 21.20 N ATOM 0 H HIS A 17 -1.733 2.397 -10.655 1.00 72.24 H new ATOM 0 HA HIS A 17 -0.863 4.459 -12.546 1.00 33.11 H new ATOM 0 HB2 HIS A 17 -1.751 2.183 -13.155 1.00 3.44 H new ATOM 0 HB3 HIS A 17 -3.319 2.704 -12.569 1.00 3.44 H new ATOM 0 HD2 HIS A 17 -1.188 2.882 -15.712 1.00 52.34 H new ATOM 0 HE1 HIS A 17 -4.409 5.520 -16.384 1.00 1.13 H new ATOM 0 HE2 HIS A 17 -2.460 4.331 -17.506 1.00 21.20 H new ATOM 68 N ALA A 18 -3.352 4.527 -10.441 1.00 72.15 N ATOM 69 CA ALA A 18 -4.293 5.198 -9.579 1.00 65.21 C ATOM 70 C ALA A 18 -3.841 6.574 -9.117 1.00 35.22 C ATOM 71 O ALA A 18 -4.618 7.281 -8.538 1.00 14.31 O ATOM 72 CB ALA A 18 -4.645 4.305 -8.430 1.00 44.34 C ATOM 0 H ALA A 18 -3.231 3.553 -10.162 1.00 72.15 H new ATOM 0 HA ALA A 18 -5.187 5.394 -10.171 1.00 65.21 H new ATOM 0 HB1 ALA A 18 -5.356 4.813 -7.779 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -5.092 3.385 -8.808 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -3.744 4.066 -7.866 1.00 44.34 H new ATOM 78 N ALA A 19 -2.552 6.904 -9.284 1.00 70.01 N ATOM 79 CA ALA A 19 -1.997 8.244 -8.991 1.00 35.10 C ATOM 80 C ALA A 19 -2.887 9.392 -9.551 1.00 60.22 C ATOM 81 O ALA A 19 -2.802 10.516 -9.091 1.00 31.03 O ATOM 82 CB ALA A 19 -0.582 8.355 -9.535 1.00 12.21 C ATOM 0 H ALA A 19 -1.854 6.245 -9.630 1.00 70.01 H new ATOM 0 HA ALA A 19 -1.978 8.357 -7.907 1.00 35.10 H new ATOM 0 HB1 ALA A 19 -0.184 9.345 -9.314 1.00 12.21 H new ATOM 0 HB2 ALA A 19 0.048 7.598 -9.068 1.00 12.21 H new ATOM 0 HB3 ALA A 19 -0.594 8.202 -10.614 1.00 12.21 H new ATOM 88 N ASP A 20 -3.717 9.088 -10.556 1.00 73.22 N ATOM 89 CA ASP A 20 -4.763 10.020 -11.054 1.00 53.54 C ATOM 90 C ASP A 20 -5.651 10.463 -9.879 1.00 63.32 C ATOM 91 O ASP A 20 -5.904 11.652 -9.692 1.00 35.31 O ATOM 92 CB ASP A 20 -5.614 9.314 -12.131 1.00 44.24 C ATOM 93 CG ASP A 20 -6.835 10.102 -12.640 1.00 35.50 C ATOM 94 OD1 ASP A 20 -6.689 11.062 -13.407 1.00 42.51 O ATOM 95 OD2 ASP A 20 -7.969 9.696 -12.362 1.00 30.20 O1- ATOM 0 H ASP A 20 -3.692 8.197 -11.051 1.00 73.22 H new ATOM 0 HA ASP A 20 -4.294 10.899 -11.497 1.00 53.54 H new ATOM 0 HB2 ASP A 20 -4.972 9.084 -12.982 1.00 44.24 H new ATOM 0 HB3 ASP A 20 -5.961 8.363 -11.728 1.00 44.24 H new ATOM 100 N TYR A 21 -5.997 9.490 -9.004 1.00 34.33 N ATOM 101 CA TYR A 21 -6.843 9.707 -7.819 1.00 34.11 C ATOM 102 C TYR A 21 -6.205 10.707 -6.893 1.00 63.22 C ATOM 103 O TYR A 21 -6.885 11.332 -6.107 1.00 34.32 O ATOM 104 CB TYR A 21 -7.094 8.392 -7.026 1.00 61.22 C ATOM 105 CG TYR A 21 -8.064 8.540 -5.845 1.00 73.32 C ATOM 106 CD1 TYR A 21 -7.613 8.771 -4.538 1.00 61.40 C ATOM 107 CD2 TYR A 21 -9.427 8.478 -6.048 1.00 14.12 C ATOM 108 CE1 TYR A 21 -8.514 8.939 -3.493 1.00 45.01 C ATOM 109 CE2 TYR A 21 -10.315 8.636 -5.008 1.00 25.32 C ATOM 110 CZ TYR A 21 -9.854 8.869 -3.739 1.00 21.54 C ATOM 111 OH TYR A 21 -10.741 9.070 -2.710 1.00 64.53 O ATOM 0 H TYR A 21 -5.690 8.523 -9.107 1.00 34.33 H new ATOM 0 HA TYR A 21 -7.799 10.082 -8.184 1.00 34.11 H new ATOM 0 HB2 TYR A 21 -7.485 7.639 -7.710 1.00 61.22 H new ATOM 0 HB3 TYR A 21 -6.140 8.019 -6.653 1.00 61.22 H new ATOM 0 HD1 TYR A 21 -6.552 8.819 -4.341 1.00 61.40 H new ATOM 0 HD2 TYR A 21 -9.806 8.302 -7.044 1.00 14.12 H new ATOM 0 HE1 TYR A 21 -8.155 9.124 -2.491 1.00 45.01 H new ATOM 0 HE2 TYR A 21 -11.377 8.576 -5.193 1.00 25.32 H new ATOM 0 HH TYR A 21 -10.519 8.473 -1.965 1.00 64.53 H new ATOM 121 N GLN A 22 -4.900 10.868 -6.992 1.00 12.31 N ATOM 122 CA GLN A 22 -4.194 11.799 -6.125 1.00 12.51 C ATOM 123 C GLN A 22 -4.730 13.233 -6.333 1.00 73.52 C ATOM 124 O GLN A 22 -4.755 14.039 -5.410 1.00 62.51 O ATOM 125 CB GLN A 22 -2.688 11.743 -6.349 1.00 52.02 C ATOM 126 CG GLN A 22 -1.894 12.049 -5.102 1.00 74.42 C ATOM 127 CD GLN A 22 -2.128 10.994 -4.037 1.00 51.50 C ATOM 128 OE1 GLN A 22 -3.039 11.108 -3.229 1.00 21.01 O ATOM 129 NE2 GLN A 22 -1.336 9.948 -4.062 1.00 63.35 N ATOM 0 H GLN A 22 -4.308 10.372 -7.658 1.00 12.31 H new ATOM 0 HA GLN A 22 -4.378 11.503 -5.092 1.00 12.51 H new ATOM 0 HB2 GLN A 22 -2.417 10.751 -6.711 1.00 52.02 H new ATOM 0 HB3 GLN A 22 -2.416 12.453 -7.130 1.00 52.02 H new ATOM 0 HG2 GLN A 22 -0.832 12.097 -5.345 1.00 74.42 H new ATOM 0 HG3 GLN A 22 -2.177 13.029 -4.717 1.00 74.42 H new ATOM 0 HE21 GLN A 22 -0.587 9.891 -4.753 1.00 63.35 H new ATOM 0 HE22 GLN A 22 -1.469 9.191 -3.391 1.00 63.35 H new ATOM 138 N GLN A 23 -5.213 13.519 -7.535 1.00 30.13 N ATOM 139 CA GLN A 23 -5.834 14.804 -7.798 1.00 70.21 C ATOM 140 C GLN A 23 -7.284 14.857 -7.349 1.00 43.33 C ATOM 141 O GLN A 23 -7.802 15.923 -7.033 1.00 53.44 O ATOM 142 CB GLN A 23 -5.627 15.289 -9.231 1.00 20.50 C ATOM 143 CG GLN A 23 -4.339 16.080 -9.360 1.00 74.25 C ATOM 144 CD GLN A 23 -4.389 17.317 -8.470 1.00 62.41 C ATOM 145 OE1 GLN A 23 -5.461 17.896 -8.266 1.00 22.23 O ATOM 146 NE2 GLN A 23 -3.274 17.692 -7.905 1.00 15.12 N ATOM 0 H GLN A 23 -5.186 12.884 -8.333 1.00 30.13 H new ATOM 0 HA GLN A 23 -5.305 15.524 -7.174 1.00 70.21 H new ATOM 0 HB2 GLN A 23 -5.602 14.434 -9.907 1.00 20.50 H new ATOM 0 HB3 GLN A 23 -6.470 15.910 -9.533 1.00 20.50 H new ATOM 0 HG2 GLN A 23 -3.491 15.456 -9.080 1.00 74.25 H new ATOM 0 HG3 GLN A 23 -4.188 16.376 -10.398 1.00 74.25 H new ATOM 0 HE21 GLN A 23 -2.409 17.188 -8.099 1.00 15.12 H new ATOM 0 HE22 GLN A 23 -3.268 18.490 -7.269 1.00 15.12 H new ATOM 155 N LEU A 24 -7.930 13.703 -7.278 1.00 35.32 N ATOM 156 CA LEU A 24 -9.274 13.631 -6.717 1.00 24.35 C ATOM 157 C LEU A 24 -9.137 13.797 -5.196 1.00 40.01 C ATOM 158 O LEU A 24 -9.951 14.426 -4.562 1.00 53.14 O ATOM 159 CB LEU A 24 -10.006 12.284 -7.154 1.00 30.01 C ATOM 160 CG LEU A 24 -11.466 12.013 -6.691 1.00 55.34 C ATOM 161 CD1 LEU A 24 -12.017 10.798 -7.409 1.00 41.22 C ATOM 162 CD2 LEU A 24 -11.589 11.791 -5.195 1.00 54.03 C ATOM 0 H LEU A 24 -7.552 12.811 -7.598 1.00 35.32 H new ATOM 0 HA LEU A 24 -9.913 14.427 -7.100 1.00 24.35 H new ATOM 0 HB2 LEU A 24 -9.998 12.248 -8.243 1.00 30.01 H new ATOM 0 HB3 LEU A 24 -9.394 11.453 -6.804 1.00 30.01 H new ATOM 0 HG LEU A 24 -12.037 12.908 -6.939 1.00 55.34 H new ATOM 0 HD11 LEU A 24 -13.040 10.614 -7.080 1.00 41.22 H new ATOM 0 HD12 LEU A 24 -12.008 10.976 -8.484 1.00 41.22 H new ATOM 0 HD13 LEU A 24 -11.400 9.929 -7.180 1.00 41.22 H new ATOM 0 HD21 LEU A 24 -12.633 11.608 -4.939 1.00 54.03 H new ATOM 0 HD22 LEU A 24 -10.987 10.930 -4.904 1.00 54.03 H new ATOM 0 HD23 LEU A 24 -11.236 12.676 -4.666 1.00 54.03 H new ATOM 174 N ARG A 25 -8.041 13.266 -4.666 1.00 65.20 N ATOM 175 CA ARG A 25 -7.678 13.322 -3.244 1.00 43.45 C ATOM 176 C ARG A 25 -7.602 14.781 -2.797 1.00 13.43 C ATOM 177 O ARG A 25 -8.317 15.204 -1.885 1.00 73.43 O ATOM 178 CB ARG A 25 -6.285 12.716 -3.080 1.00 2.52 C ATOM 179 CG ARG A 25 -5.929 12.200 -1.703 1.00 42.24 C ATOM 180 CD ARG A 25 -6.622 10.893 -1.473 1.00 60.33 C ATOM 181 NE ARG A 25 -5.982 10.069 -0.420 1.00 44.31 N ATOM 182 CZ ARG A 25 -5.027 9.125 -0.647 1.00 5.44 C ATOM 183 NH1 ARG A 25 -4.380 9.067 -1.805 1.00 2.13 N1+ ATOM 184 NH2 ARG A 25 -4.672 8.306 0.308 1.00 2.51 N ATOM 0 H ARG A 25 -7.353 12.766 -5.229 1.00 65.20 H new ATOM 0 HA ARG A 25 -8.419 12.782 -2.654 1.00 43.45 H new ATOM 0 HB2 ARG A 25 -6.186 11.893 -3.788 1.00 2.52 H new ATOM 0 HB3 ARG A 25 -5.550 13.470 -3.362 1.00 2.52 H new ATOM 0 HG2 ARG A 25 -4.850 12.073 -1.617 1.00 42.24 H new ATOM 0 HG3 ARG A 25 -6.227 12.922 -0.943 1.00 42.24 H new ATOM 0 HD2 ARG A 25 -7.659 11.083 -1.196 1.00 60.33 H new ATOM 0 HD3 ARG A 25 -6.639 10.329 -2.406 1.00 60.33 H new ATOM 0 HE ARG A 25 -6.278 10.220 0.544 1.00 44.31 H new ATOM 0 HH11 ARG A 25 -4.595 9.737 -2.543 1.00 2.13 H new ATOM 0 HH12 ARG A 25 -3.668 8.353 -1.956 1.00 2.13 H new ATOM 0 HH21 ARG A 25 -5.111 8.373 1.226 1.00 2.51 H new ATOM 0 HH22 ARG A 25 -3.956 7.600 0.135 1.00 2.51 H new ATOM 198 N GLU A 26 -6.735 15.540 -3.479 1.00 24.22 N ATOM 199 CA GLU A 26 -6.509 16.946 -3.202 1.00 62.15 C ATOM 200 C GLU A 26 -7.818 17.712 -3.337 1.00 3.45 C ATOM 201 O GLU A 26 -8.186 18.524 -2.473 1.00 51.54 O ATOM 202 CB GLU A 26 -5.511 17.503 -4.217 1.00 72.11 C ATOM 203 CG GLU A 26 -5.038 18.908 -3.906 1.00 42.30 C ATOM 204 CD GLU A 26 -4.370 19.573 -5.089 1.00 35.05 C ATOM 205 OE1 GLU A 26 -3.334 19.089 -5.550 1.00 64.23 O ATOM 206 OE2 GLU A 26 -4.918 20.590 -5.582 1.00 64.11 O1- ATOM 0 H GLU A 26 -6.168 15.181 -4.247 1.00 24.22 H new ATOM 0 HA GLU A 26 -6.120 17.055 -2.190 1.00 62.15 H new ATOM 0 HB2 GLU A 26 -4.646 16.841 -4.262 1.00 72.11 H new ATOM 0 HB3 GLU A 26 -5.971 17.495 -5.205 1.00 72.11 H new ATOM 0 HG2 GLU A 26 -5.888 19.511 -3.587 1.00 42.30 H new ATOM 0 HG3 GLU A 26 -4.339 18.875 -3.070 1.00 42.30 H new ATOM 213 N ARG A 27 -8.532 17.414 -4.409 1.00 24.42 N ATOM 214 CA ARG A 27 -9.762 18.075 -4.734 1.00 20.12 C ATOM 215 C ARG A 27 -10.808 17.819 -3.656 1.00 44.45 C ATOM 216 O ARG A 27 -11.448 18.748 -3.199 1.00 33.33 O ATOM 217 CB ARG A 27 -10.271 17.571 -6.071 1.00 73.03 C ATOM 218 CG ARG A 27 -10.925 18.623 -6.962 1.00 44.42 C ATOM 219 CD ARG A 27 -9.890 19.578 -7.570 1.00 21.42 C ATOM 220 NE ARG A 27 -9.254 20.472 -6.579 1.00 3.21 N ATOM 221 CZ ARG A 27 -7.917 20.561 -6.359 1.00 65.44 C ATOM 222 NH1 ARG A 27 -7.070 19.771 -6.989 1.00 31.03 N1+ ATOM 223 NH2 ARG A 27 -7.431 21.430 -5.484 1.00 71.12 N ATOM 0 H ARG A 27 -8.261 16.695 -5.080 1.00 24.42 H new ATOM 0 HA ARG A 27 -9.579 19.148 -4.793 1.00 20.12 H new ATOM 0 HB2 ARG A 27 -9.437 17.127 -6.614 1.00 73.03 H new ATOM 0 HB3 ARG A 27 -10.992 16.774 -5.889 1.00 73.03 H new ATOM 0 HG2 ARG A 27 -11.478 18.129 -7.761 1.00 44.42 H new ATOM 0 HG3 ARG A 27 -11.648 19.194 -6.380 1.00 44.42 H new ATOM 0 HD2 ARG A 27 -9.117 18.993 -8.068 1.00 21.42 H new ATOM 0 HD3 ARG A 27 -10.374 20.184 -8.336 1.00 21.42 H new ATOM 0 HE ARG A 27 -9.865 21.066 -6.019 1.00 3.21 H new ATOM 0 HH11 ARG A 27 -7.416 19.079 -7.654 1.00 31.03 H new ATOM 0 HH12 ARG A 27 -6.069 19.852 -6.812 1.00 31.03 H new ATOM 0 HH21 ARG A 27 -8.063 22.041 -4.967 1.00 71.12 H new ATOM 0 HH22 ARG A 27 -6.425 21.487 -5.327 1.00 71.12 H new ATOM 237 N LEU A 28 -10.931 16.555 -3.237 1.00 22.41 N ATOM 238 CA LEU A 28 -11.892 16.133 -2.227 1.00 41.24 C ATOM 239 C LEU A 28 -11.667 16.906 -0.941 1.00 55.42 C ATOM 240 O LEU A 28 -12.614 17.419 -0.328 1.00 10.21 O ATOM 241 CB LEU A 28 -11.781 14.597 -1.972 1.00 11.24 C ATOM 242 CG LEU A 28 -13.135 13.885 -1.844 1.00 1.41 C ATOM 243 CD1 LEU A 28 -12.969 12.386 -1.873 1.00 22.41 C ATOM 244 CD2 LEU A 28 -13.858 14.301 -0.577 1.00 10.42 C ATOM 0 H LEU A 28 -10.357 15.792 -3.597 1.00 22.41 H new ATOM 0 HA LEU A 28 -12.898 16.344 -2.590 1.00 41.24 H new ATOM 0 HB2 LEU A 28 -11.220 14.143 -2.789 1.00 11.24 H new ATOM 0 HB3 LEU A 28 -11.207 14.431 -1.060 1.00 11.24 H new ATOM 0 HG LEU A 28 -13.738 14.184 -2.701 1.00 1.41 H new ATOM 0 HD11 LEU A 28 -13.945 11.910 -1.780 1.00 22.41 H new ATOM 0 HD12 LEU A 28 -12.508 12.089 -2.815 1.00 22.41 H new ATOM 0 HD13 LEU A 28 -12.333 12.074 -1.044 1.00 22.41 H new ATOM 0 HD21 LEU A 28 -14.813 13.780 -0.515 1.00 10.42 H new ATOM 0 HD22 LEU A 28 -13.249 14.046 0.290 1.00 10.42 H new ATOM 0 HD23 LEU A 28 -14.032 15.377 -0.594 1.00 10.42 H new ATOM 256 N ILE A 29 -10.413 17.018 -0.569 1.00 45.13 N ATOM 257 CA ILE A 29 -10.022 17.738 0.613 1.00 62.01 C ATOM 258 C ILE A 29 -10.366 19.227 0.492 1.00 3.14 C ATOM 259 O ILE A 29 -10.950 19.809 1.388 1.00 51.34 O ATOM 260 CB ILE A 29 -8.513 17.491 0.941 1.00 23.12 C ATOM 261 CG1 ILE A 29 -8.347 16.013 1.279 1.00 53.33 C ATOM 262 CG2 ILE A 29 -8.026 18.365 2.094 1.00 4.31 C ATOM 263 CD1 ILE A 29 -6.969 15.562 1.678 1.00 74.13 C ATOM 0 H ILE A 29 -9.633 16.608 -1.083 1.00 45.13 H new ATOM 0 HA ILE A 29 -10.595 17.356 1.458 1.00 62.01 H new ATOM 0 HB ILE A 29 -7.907 17.760 0.076 1.00 23.12 H new ATOM 0 HG12 ILE A 29 -9.033 15.771 2.091 1.00 53.33 H new ATOM 0 HG13 ILE A 29 -8.659 15.429 0.413 1.00 53.33 H new ATOM 0 HG21 ILE A 29 -6.973 18.160 2.287 1.00 4.31 H new ATOM 0 HG22 ILE A 29 -8.149 19.416 1.831 1.00 4.31 H new ATOM 0 HG23 ILE A 29 -8.608 18.145 2.989 1.00 4.31 H new ATOM 0 HD11 ILE A 29 -6.984 14.493 1.892 1.00 74.13 H new ATOM 0 HD12 ILE A 29 -6.272 15.759 0.864 1.00 74.13 H new ATOM 0 HD13 ILE A 29 -6.651 16.106 2.567 1.00 74.13 H new ATOM 275 N GLN A 30 -10.072 19.811 -0.637 1.00 11.42 N ATOM 276 CA GLN A 30 -10.351 21.221 -0.838 1.00 44.42 C ATOM 277 C GLN A 30 -11.845 21.540 -0.956 1.00 1.21 C ATOM 278 O GLN A 30 -12.301 22.563 -0.452 1.00 12.02 O ATOM 279 CB GLN A 30 -9.579 21.760 -2.026 1.00 13.44 C ATOM 280 CG GLN A 30 -8.082 21.798 -1.784 1.00 21.13 C ATOM 281 CD GLN A 30 -7.705 22.687 -0.607 1.00 11.50 C ATOM 282 OE1 GLN A 30 -7.472 23.870 -0.767 1.00 3.21 O ATOM 283 NE2 GLN A 30 -7.647 22.122 0.579 1.00 1.51 N ATOM 0 H GLN A 30 -9.641 19.342 -1.434 1.00 11.42 H new ATOM 0 HA GLN A 30 -10.010 21.730 0.063 1.00 44.42 H new ATOM 0 HB2 GLN A 30 -9.786 21.141 -2.899 1.00 13.44 H new ATOM 0 HB3 GLN A 30 -9.931 22.765 -2.257 1.00 13.44 H new ATOM 0 HG2 GLN A 30 -7.721 20.786 -1.601 1.00 21.13 H new ATOM 0 HG3 GLN A 30 -7.581 22.158 -2.682 1.00 21.13 H new ATOM 0 HE21 GLN A 30 -7.848 21.127 0.680 1.00 1.51 H new ATOM 0 HE22 GLN A 30 -7.401 22.679 1.398 1.00 1.51 H new ATOM 292 N GLU A 31 -12.603 20.649 -1.577 1.00 44.51 N ATOM 293 CA GLU A 31 -14.019 20.879 -1.827 1.00 42.41 C ATOM 294 C GLU A 31 -14.899 21.034 -0.603 1.00 20.03 C ATOM 295 O GLU A 31 -15.780 21.900 -0.594 1.00 44.20 O ATOM 296 CB GLU A 31 -14.605 19.915 -2.820 1.00 61.33 C ATOM 297 CG GLU A 31 -14.173 20.206 -4.236 1.00 14.43 C ATOM 298 CD GLU A 31 -15.025 19.496 -5.220 1.00 74.44 C ATOM 299 OE1 GLU A 31 -16.154 19.971 -5.487 1.00 34.34 O ATOM 300 OE2 GLU A 31 -14.622 18.463 -5.735 1.00 13.41 O1- ATOM 0 H GLU A 31 -12.258 19.752 -1.920 1.00 44.51 H new ATOM 0 HA GLU A 31 -14.022 21.870 -2.280 1.00 42.41 H new ATOM 0 HB2 GLU A 31 -14.308 18.900 -2.555 1.00 61.33 H new ATOM 0 HB3 GLU A 31 -15.693 19.954 -2.761 1.00 61.33 H new ATOM 0 HG2 GLU A 31 -14.221 21.279 -4.419 1.00 14.43 H new ATOM 0 HG3 GLU A 31 -13.134 19.906 -4.369 1.00 14.43 H new ATOM 307 N LEU A 32 -14.712 20.225 0.422 1.00 62.35 N ATOM 308 CA LEU A 32 -15.516 20.430 1.623 1.00 60.51 C ATOM 309 C LEU A 32 -14.772 21.279 2.652 1.00 74.43 C ATOM 310 O LEU A 32 -15.147 21.299 3.820 1.00 42.41 O ATOM 311 CB LEU A 32 -15.953 19.113 2.249 1.00 5.31 C ATOM 312 CG LEU A 32 -16.848 18.204 1.430 1.00 52.51 C ATOM 313 CD1 LEU A 32 -17.168 16.971 2.244 1.00 22.20 C ATOM 314 CD2 LEU A 32 -18.129 18.920 1.013 1.00 54.10 C ATOM 0 H LEU A 32 -14.045 19.454 0.457 1.00 62.35 H new ATOM 0 HA LEU A 32 -16.412 20.967 1.310 1.00 60.51 H new ATOM 0 HB2 LEU A 32 -15.056 18.552 2.511 1.00 5.31 H new ATOM 0 HB3 LEU A 32 -16.470 19.340 3.181 1.00 5.31 H new ATOM 0 HG LEU A 32 -16.326 17.917 0.517 1.00 52.51 H new ATOM 0 HD11 LEU A 32 -17.812 16.309 1.664 1.00 22.20 H new ATOM 0 HD12 LEU A 32 -16.244 16.450 2.494 1.00 22.20 H new ATOM 0 HD13 LEU A 32 -17.680 17.263 3.161 1.00 22.20 H new ATOM 0 HD21 LEU A 32 -18.750 18.243 0.427 1.00 54.10 H new ATOM 0 HD22 LEU A 32 -18.675 19.236 1.902 1.00 54.10 H new ATOM 0 HD23 LEU A 32 -17.878 19.794 0.412 1.00 54.10 H new ATOM 326 N ASN A 33 -13.724 21.992 2.193 1.00 3.10 N ATOM 327 CA ASN A 33 -12.893 22.868 3.057 1.00 33.51 C ATOM 328 C ASN A 33 -12.243 22.016 4.160 1.00 5.35 C ATOM 329 O ASN A 33 -12.048 22.433 5.300 1.00 65.42 O ATOM 330 CB ASN A 33 -13.746 24.031 3.646 1.00 42.42 C ATOM 331 CG ASN A 33 -12.931 25.113 4.377 1.00 2.14 C ATOM 332 OD1 ASN A 33 -13.407 25.727 5.322 1.00 70.45 O ATOM 333 ND2 ASN A 33 -11.725 25.388 3.918 1.00 21.23 N ATOM 0 H ASN A 33 -13.427 21.980 1.217 1.00 3.10 H new ATOM 0 HA ASN A 33 -12.102 23.327 2.464 1.00 33.51 H new ATOM 0 HB2 ASN A 33 -14.306 24.500 2.837 1.00 42.42 H new ATOM 0 HB3 ASN A 33 -14.477 23.614 4.339 1.00 42.42 H new ATOM 0 HD21 ASN A 33 -11.170 26.125 4.352 1.00 21.23 H new ATOM 0 HD22 ASN A 33 -11.348 24.863 3.129 1.00 21.23 H new ATOM 340 N LEU A 34 -11.859 20.834 3.768 1.00 64.24 N ATOM 341 CA LEU A 34 -11.272 19.876 4.646 1.00 0.21 C ATOM 342 C LEU A 34 -9.765 20.104 4.670 1.00 24.00 C ATOM 343 O LEU A 34 -9.211 20.805 3.817 1.00 61.22 O ATOM 344 CB LEU A 34 -11.578 18.451 4.125 1.00 53.32 C ATOM 345 CG LEU A 34 -13.063 18.122 3.867 1.00 74.01 C ATOM 346 CD1 LEU A 34 -13.234 16.842 3.029 1.00 71.44 C ATOM 347 CD2 LEU A 34 -13.830 17.990 5.172 1.00 52.24 C ATOM 0 H LEU A 34 -11.950 20.508 2.806 1.00 64.24 H new ATOM 0 HA LEU A 34 -11.679 19.983 5.651 1.00 0.21 H new ATOM 0 HB2 LEU A 34 -11.028 18.301 3.196 1.00 53.32 H new ATOM 0 HB3 LEU A 34 -11.188 17.732 4.846 1.00 53.32 H new ATOM 0 HG LEU A 34 -13.473 18.956 3.297 1.00 74.01 H new ATOM 0 HD11 LEU A 34 -14.295 16.649 2.872 1.00 71.44 H new ATOM 0 HD12 LEU A 34 -12.742 16.970 2.065 1.00 71.44 H new ATOM 0 HD13 LEU A 34 -12.786 16.000 3.556 1.00 71.44 H new ATOM 0 HD21 LEU A 34 -14.873 17.758 4.959 1.00 52.24 H new ATOM 0 HD22 LEU A 34 -13.395 17.189 5.770 1.00 52.24 H new ATOM 0 HD23 LEU A 34 -13.772 18.928 5.724 1.00 52.24 H new ATOM 359 N THR A 35 -9.126 19.539 5.628 1.00 1.40 N ATOM 360 CA THR A 35 -7.701 19.579 5.766 1.00 23.22 C ATOM 361 C THR A 35 -7.291 18.164 6.115 1.00 1.40 C ATOM 362 O THR A 35 -8.159 17.389 6.471 1.00 24.52 O ATOM 363 CB THR A 35 -7.296 20.549 6.910 1.00 43.33 C ATOM 364 OG1 THR A 35 -8.076 20.264 8.080 1.00 54.11 O ATOM 365 CG2 THR A 35 -7.484 22.008 6.507 1.00 44.43 C ATOM 0 H THR A 35 -9.590 19.014 6.369 1.00 1.40 H new ATOM 0 HA THR A 35 -7.216 19.933 4.856 1.00 23.22 H new ATOM 0 HB THR A 35 -6.238 20.397 7.121 1.00 43.33 H new ATOM 0 HG1 THR A 35 -7.819 20.875 8.802 1.00 54.11 H new ATOM 0 HG21 THR A 35 -7.190 22.655 7.334 1.00 44.43 H new ATOM 0 HG22 THR A 35 -6.865 22.228 5.637 1.00 44.43 H new ATOM 0 HG23 THR A 35 -8.531 22.186 6.262 1.00 44.43 H new ATOM 373 N PRO A 36 -6.012 17.774 6.017 1.00 5.24 N ATOM 374 CA PRO A 36 -5.577 16.407 6.398 1.00 43.30 C ATOM 375 C PRO A 36 -5.835 16.102 7.891 1.00 65.22 C ATOM 376 O PRO A 36 -5.797 14.961 8.317 1.00 51.13 O ATOM 377 CB PRO A 36 -4.071 16.415 6.106 1.00 73.10 C ATOM 378 CG PRO A 36 -3.874 17.529 5.135 1.00 54.12 C ATOM 379 CD PRO A 36 -4.890 18.573 5.493 1.00 63.20 C ATOM 0 HA PRO A 36 -6.126 15.640 5.852 1.00 43.30 H new ATOM 0 HB2 PRO A 36 -3.493 16.577 7.016 1.00 73.10 H new ATOM 0 HB3 PRO A 36 -3.745 15.463 5.687 1.00 73.10 H new ATOM 0 HG2 PRO A 36 -2.863 17.930 5.201 1.00 54.12 H new ATOM 0 HG3 PRO A 36 -4.014 17.183 4.111 1.00 54.12 H new ATOM 0 HD2 PRO A 36 -4.508 19.270 6.239 1.00 63.20 H new ATOM 0 HD3 PRO A 36 -5.185 19.164 4.626 1.00 63.20 H new ATOM 387 N GLN A 37 -6.074 17.145 8.669 1.00 64.13 N ATOM 388 CA GLN A 37 -6.387 17.000 10.073 1.00 13.33 C ATOM 389 C GLN A 37 -7.894 16.817 10.264 1.00 54.32 C ATOM 390 O GLN A 37 -8.334 16.193 11.215 1.00 42.33 O ATOM 391 CB GLN A 37 -5.912 18.220 10.904 1.00 54.25 C ATOM 392 CG GLN A 37 -4.415 18.555 10.817 1.00 63.11 C ATOM 393 CD GLN A 37 -4.031 19.456 9.636 1.00 50.13 C ATOM 394 OE1 GLN A 37 -4.658 19.458 8.583 1.00 62.33 O ATOM 395 NE2 GLN A 37 -2.990 20.226 9.813 1.00 14.24 N ATOM 0 H GLN A 37 -6.056 18.111 8.342 1.00 64.13 H new ATOM 0 HA GLN A 37 -5.856 16.118 10.430 1.00 13.33 H new ATOM 0 HB2 GLN A 37 -6.479 19.095 10.584 1.00 54.25 H new ATOM 0 HB3 GLN A 37 -6.164 18.042 11.950 1.00 54.25 H new ATOM 0 HG2 GLN A 37 -4.111 19.042 11.743 1.00 63.11 H new ATOM 0 HG3 GLN A 37 -3.851 17.625 10.746 1.00 63.11 H new ATOM 0 HE21 GLN A 37 -2.485 20.205 10.699 1.00 14.24 H new ATOM 0 HE22 GLN A 37 -2.682 20.848 9.065 1.00 14.24 H new ATOM 404 N GLN A 38 -8.672 17.380 9.352 1.00 2.43 N ATOM 405 CA GLN A 38 -10.110 17.321 9.425 1.00 63.33 C ATOM 406 C GLN A 38 -10.634 16.142 8.592 1.00 52.24 C ATOM 407 O GLN A 38 -11.760 15.692 8.761 1.00 62.22 O ATOM 408 CB GLN A 38 -10.672 18.653 8.926 1.00 61.23 C ATOM 409 CG GLN A 38 -12.144 18.843 9.145 1.00 53.11 C ATOM 410 CD GLN A 38 -12.592 20.250 8.795 1.00 13.11 C ATOM 411 OE1 GLN A 38 -12.574 21.136 9.631 1.00 74.42 O ATOM 412 NE2 GLN A 38 -13.004 20.457 7.574 1.00 63.00 N ATOM 0 H GLN A 38 -8.316 17.889 8.543 1.00 2.43 H new ATOM 0 HA GLN A 38 -10.433 17.160 10.453 1.00 63.33 H new ATOM 0 HB2 GLN A 38 -10.139 19.464 9.422 1.00 61.23 H new ATOM 0 HB3 GLN A 38 -10.464 18.741 7.860 1.00 61.23 H new ATOM 0 HG2 GLN A 38 -12.697 18.125 8.539 1.00 53.11 H new ATOM 0 HG3 GLN A 38 -12.386 18.634 10.187 1.00 53.11 H new ATOM 0 HE21 GLN A 38 -13.006 19.692 6.900 1.00 63.00 H new ATOM 0 HE22 GLN A 38 -13.324 21.384 7.294 1.00 63.00 H new ATOM 421 N LEU A 39 -9.811 15.670 7.688 1.00 10.11 N ATOM 422 CA LEU A 39 -10.135 14.534 6.870 1.00 44.43 C ATOM 423 C LEU A 39 -8.992 13.559 6.982 1.00 11.12 C ATOM 424 O LEU A 39 -7.978 13.708 6.292 1.00 31.14 O ATOM 425 CB LEU A 39 -10.297 14.930 5.361 1.00 23.30 C ATOM 426 CG LEU A 39 -11.041 13.948 4.373 1.00 25.43 C ATOM 427 CD1 LEU A 39 -10.759 14.318 2.925 1.00 54.42 C ATOM 428 CD2 LEU A 39 -10.714 12.484 4.595 1.00 24.12 C ATOM 0 H LEU A 39 -8.891 16.069 7.500 1.00 10.11 H new ATOM 0 HA LEU A 39 -11.079 14.110 7.211 1.00 44.43 H new ATOM 0 HB2 LEU A 39 -10.822 15.885 5.329 1.00 23.30 H new ATOM 0 HB3 LEU A 39 -9.298 15.102 4.960 1.00 23.30 H new ATOM 0 HG LEU A 39 -12.102 14.070 4.592 1.00 25.43 H new ATOM 0 HD11 LEU A 39 -11.283 13.627 2.264 1.00 54.42 H new ATOM 0 HD12 LEU A 39 -11.105 15.334 2.735 1.00 54.42 H new ATOM 0 HD13 LEU A 39 -9.687 14.258 2.736 1.00 54.42 H new ATOM 0 HD21 LEU A 39 -11.264 11.875 3.877 1.00 24.12 H new ATOM 0 HD22 LEU A 39 -9.644 12.326 4.460 1.00 24.12 H new ATOM 0 HD23 LEU A 39 -10.998 12.197 5.607 1.00 24.12 H new ATOM 440 N HIS A 40 -9.104 12.637 7.871 1.00 34.32 N ATOM 441 CA HIS A 40 -8.205 11.544 7.861 1.00 42.33 C ATOM 442 C HIS A 40 -8.969 10.445 7.145 1.00 3.41 C ATOM 443 O HIS A 40 -10.202 10.397 7.221 1.00 33.30 O ATOM 444 CB HIS A 40 -7.727 11.144 9.264 1.00 40.00 C ATOM 445 CG HIS A 40 -6.601 10.144 9.229 1.00 50.33 C ATOM 446 ND1 HIS A 40 -6.651 8.922 9.823 1.00 4.54 N ATOM 447 CD2 HIS A 40 -5.388 10.210 8.623 1.00 72.11 C ATOM 448 CE1 HIS A 40 -5.525 8.278 9.576 1.00 5.23 C ATOM 449 NE2 HIS A 40 -4.706 9.015 8.845 1.00 51.23 N ATOM 0 H HIS A 40 -9.806 12.619 8.610 1.00 34.32 H new ATOM 0 HA HIS A 40 -7.271 11.784 7.354 1.00 42.33 H new ATOM 0 HB2 HIS A 40 -7.400 12.035 9.800 1.00 40.00 H new ATOM 0 HB3 HIS A 40 -8.563 10.724 9.823 1.00 40.00 H new ATOM 0 HD1 HIS A 40 -7.432 8.561 10.371 1.00 4.54 H new ATOM 0 HD2 HIS A 40 -5.012 11.052 8.060 1.00 72.11 H new ATOM 0 HE1 HIS A 40 -5.302 7.281 9.925 1.00 5.23 H new ATOM 457 N GLU A 41 -8.296 9.606 6.436 1.00 4.20 N ATOM 458 CA GLU A 41 -8.976 8.733 5.511 1.00 73.10 C ATOM 459 C GLU A 41 -9.683 7.492 6.051 1.00 61.20 C ATOM 460 O GLU A 41 -10.229 6.711 5.255 1.00 65.41 O ATOM 461 CB GLU A 41 -8.181 8.500 4.253 1.00 2.25 C ATOM 462 CG GLU A 41 -6.750 8.090 4.429 1.00 2.22 C ATOM 463 CD GLU A 41 -6.077 8.066 3.090 1.00 60.12 C ATOM 464 OE1 GLU A 41 -5.682 6.995 2.626 1.00 10.02 O ATOM 465 OE2 GLU A 41 -5.997 9.131 2.443 1.00 65.55 O1- ATOM 0 H GLU A 41 -7.282 9.497 6.470 1.00 4.20 H new ATOM 0 HA GLU A 41 -9.853 9.325 5.250 1.00 73.10 H new ATOM 0 HB2 GLU A 41 -8.686 7.731 3.668 1.00 2.25 H new ATOM 0 HB3 GLU A 41 -8.203 9.416 3.662 1.00 2.25 H new ATOM 0 HG2 GLU A 41 -6.239 8.786 5.094 1.00 2.22 H new ATOM 0 HG3 GLU A 41 -6.696 7.106 4.895 1.00 2.22 H new ATOM 472 N GLU A 42 -9.743 7.325 7.361 1.00 10.22 N ATOM 473 CA GLU A 42 -10.506 6.213 7.921 1.00 51.14 C ATOM 474 C GLU A 42 -11.914 6.736 8.260 1.00 33.12 C ATOM 475 O GLU A 42 -12.850 5.971 8.516 1.00 62.41 O ATOM 476 CB GLU A 42 -9.835 5.610 9.194 1.00 34.11 C ATOM 477 CG GLU A 42 -10.075 6.372 10.511 1.00 44.23 C ATOM 478 CD GLU A 42 -9.406 7.712 10.573 1.00 14.53 C ATOM 479 OE1 GLU A 42 -8.468 7.859 11.352 1.00 21.33 O ATOM 480 OE2 GLU A 42 -9.776 8.619 9.795 1.00 20.11 O1- ATOM 0 H GLU A 42 -9.286 7.927 8.046 1.00 10.22 H new ATOM 0 HA GLU A 42 -10.549 5.409 7.187 1.00 51.14 H new ATOM 0 HB2 GLU A 42 -10.192 4.588 9.319 1.00 34.11 H new ATOM 0 HB3 GLU A 42 -8.760 5.553 9.021 1.00 34.11 H new ATOM 0 HG2 GLU A 42 -11.148 6.507 10.650 1.00 44.23 H new ATOM 0 HG3 GLU A 42 -9.720 5.762 11.341 1.00 44.23 H new ATOM 487 N SER A 43 -12.026 8.050 8.252 1.00 41.02 N ATOM 488 CA SER A 43 -13.229 8.742 8.575 1.00 44.11 C ATOM 489 C SER A 43 -14.229 8.709 7.413 1.00 33.33 C ATOM 490 O SER A 43 -13.852 8.723 6.224 1.00 72.43 O ATOM 491 CB SER A 43 -12.889 10.175 8.980 1.00 40.40 C ATOM 492 OG SER A 43 -11.993 10.186 10.090 1.00 4.23 O ATOM 0 H SER A 43 -11.253 8.671 8.012 1.00 41.02 H new ATOM 0 HA SER A 43 -13.712 8.240 9.413 1.00 44.11 H new ATOM 0 HB2 SER A 43 -12.438 10.699 8.137 1.00 40.40 H new ATOM 0 HB3 SER A 43 -13.802 10.712 9.238 1.00 40.40 H new ATOM 0 HG SER A 43 -11.173 9.704 9.853 1.00 4.23 H new ATOM 498 N ASN A 44 -15.498 8.664 7.770 1.00 33.32 N ATOM 499 CA ASN A 44 -16.582 8.561 6.813 1.00 22.34 C ATOM 500 C ASN A 44 -16.858 9.918 6.154 1.00 62.44 C ATOM 501 O ASN A 44 -17.290 10.864 6.809 1.00 71.22 O ATOM 502 CB ASN A 44 -17.846 7.993 7.511 1.00 33.32 C ATOM 503 CG ASN A 44 -19.032 7.724 6.574 1.00 62.43 C ATOM 504 OD1 ASN A 44 -19.238 8.401 5.586 1.00 34.50 O ATOM 505 ND2 ASN A 44 -19.810 6.712 6.885 1.00 32.23 N ATOM 0 H ASN A 44 -15.808 8.698 8.741 1.00 33.32 H new ATOM 0 HA ASN A 44 -16.294 7.872 6.019 1.00 22.34 H new ATOM 0 HB2 ASN A 44 -17.580 7.063 8.013 1.00 33.32 H new ATOM 0 HB3 ASN A 44 -18.163 8.693 8.284 1.00 33.32 H new ATOM 0 HD21 ASN A 44 -20.607 6.480 6.292 1.00 32.23 H new ATOM 0 HD22 ASN A 44 -19.617 6.158 7.719 1.00 32.23 H new ATOM 512 N LEU A 45 -16.633 9.976 4.849 1.00 22.31 N ATOM 513 CA LEU A 45 -16.806 11.198 4.048 1.00 52.25 C ATOM 514 C LEU A 45 -18.253 11.700 3.984 1.00 25.42 C ATOM 515 O LEU A 45 -18.483 12.891 3.801 1.00 72.00 O ATOM 516 CB LEU A 45 -16.236 11.027 2.634 1.00 12.43 C ATOM 517 CG LEU A 45 -14.704 11.111 2.484 1.00 71.30 C ATOM 518 CD1 LEU A 45 -14.306 10.766 1.070 1.00 43.12 C ATOM 519 CD2 LEU A 45 -14.213 12.522 2.833 1.00 65.35 C ATOM 0 H LEU A 45 -16.322 9.172 4.303 1.00 22.31 H new ATOM 0 HA LEU A 45 -16.237 11.966 4.572 1.00 52.25 H new ATOM 0 HB2 LEU A 45 -16.562 10.060 2.252 1.00 12.43 H new ATOM 0 HB3 LEU A 45 -16.682 11.789 1.994 1.00 12.43 H new ATOM 0 HG LEU A 45 -14.245 10.398 3.169 1.00 71.30 H new ATOM 0 HD11 LEU A 45 -13.222 10.828 0.972 1.00 43.12 H new ATOM 0 HD12 LEU A 45 -14.635 9.753 0.836 1.00 43.12 H new ATOM 0 HD13 LEU A 45 -14.773 11.468 0.379 1.00 43.12 H new ATOM 0 HD21 LEU A 45 -13.130 12.568 2.723 1.00 65.35 H new ATOM 0 HD22 LEU A 45 -14.677 13.245 2.162 1.00 65.35 H new ATOM 0 HD23 LEU A 45 -14.483 12.757 3.862 1.00 65.35 H new ATOM 531 N ILE A 46 -19.219 10.815 4.164 1.00 35.23 N ATOM 532 CA ILE A 46 -20.628 11.222 4.133 1.00 64.34 C ATOM 533 C ILE A 46 -20.919 12.091 5.361 1.00 24.01 C ATOM 534 O ILE A 46 -21.651 13.069 5.290 1.00 11.12 O ATOM 535 CB ILE A 46 -21.594 9.990 4.111 1.00 3.04 C ATOM 536 CG1 ILE A 46 -21.331 9.090 2.886 1.00 73.30 C ATOM 537 CG2 ILE A 46 -23.063 10.417 4.155 1.00 74.12 C ATOM 538 CD1 ILE A 46 -21.538 9.757 1.546 1.00 53.23 C ATOM 0 H ILE A 46 -19.065 9.821 4.332 1.00 35.23 H new ATOM 0 HA ILE A 46 -20.802 11.786 3.216 1.00 64.34 H new ATOM 0 HB ILE A 46 -21.387 9.412 5.012 1.00 3.04 H new ATOM 0 HG12 ILE A 46 -20.306 8.723 2.937 1.00 73.30 H new ATOM 0 HG13 ILE A 46 -21.985 8.220 2.946 1.00 73.30 H new ATOM 0 HG21 ILE A 46 -23.700 9.532 4.138 1.00 74.12 H new ATOM 0 HG22 ILE A 46 -23.251 10.982 5.068 1.00 74.12 H new ATOM 0 HG23 ILE A 46 -23.286 11.041 3.290 1.00 74.12 H new ATOM 0 HD11 ILE A 46 -21.329 9.044 0.748 1.00 53.23 H new ATOM 0 HD12 ILE A 46 -22.570 10.099 1.465 1.00 53.23 H new ATOM 0 HD13 ILE A 46 -20.865 10.610 1.456 1.00 53.23 H new ATOM 550 N GLN A 47 -20.228 11.781 6.445 1.00 23.33 N ATOM 551 CA GLN A 47 -20.398 12.482 7.714 1.00 31.02 C ATOM 552 C GLN A 47 -19.624 13.792 7.699 1.00 0.42 C ATOM 553 O GLN A 47 -19.771 14.627 8.578 1.00 52.13 O ATOM 554 CB GLN A 47 -19.941 11.606 8.890 1.00 70.40 C ATOM 555 CG GLN A 47 -20.694 10.275 9.040 1.00 3.15 C ATOM 556 CD GLN A 47 -22.190 10.426 9.336 1.00 63.44 C ATOM 557 OE1 GLN A 47 -22.837 11.367 8.928 1.00 41.14 O ATOM 558 NE2 GLN A 47 -22.738 9.484 10.062 1.00 61.21 N ATOM 0 H GLN A 47 -19.532 11.036 6.474 1.00 23.33 H new ATOM 0 HA GLN A 47 -21.458 12.700 7.844 1.00 31.02 H new ATOM 0 HB2 GLN A 47 -18.878 11.394 8.774 1.00 70.40 H new ATOM 0 HB3 GLN A 47 -20.053 12.175 9.813 1.00 70.40 H new ATOM 0 HG2 GLN A 47 -20.574 9.698 8.123 1.00 3.15 H new ATOM 0 HG3 GLN A 47 -20.233 9.699 9.842 1.00 3.15 H new ATOM 0 HE21 GLN A 47 -22.173 8.702 10.394 1.00 61.21 H new ATOM 0 HE22 GLN A 47 -23.730 9.532 10.296 1.00 61.21 H new ATOM 567 N ALA A 48 -18.787 13.949 6.685 1.00 73.12 N ATOM 568 CA ALA A 48 -18.041 15.174 6.487 1.00 25.33 C ATOM 569 C ALA A 48 -18.874 16.122 5.635 1.00 61.43 C ATOM 570 O ALA A 48 -18.502 17.266 5.399 1.00 44.32 O ATOM 571 CB ALA A 48 -16.700 14.884 5.822 1.00 21.03 C ATOM 0 H ALA A 48 -18.609 13.232 5.981 1.00 73.12 H new ATOM 0 HA ALA A 48 -17.836 15.638 7.451 1.00 25.33 H new ATOM 0 HB1 ALA A 48 -16.154 15.817 5.682 1.00 21.03 H new ATOM 0 HB2 ALA A 48 -16.117 14.214 6.455 1.00 21.03 H new ATOM 0 HB3 ALA A 48 -16.868 14.413 4.854 1.00 21.03 H new ATOM 577 N GLY A 49 -20.005 15.611 5.174 1.00 21.12 N ATOM 578 CA GLY A 49 -20.930 16.392 4.411 1.00 21.12 C ATOM 579 C GLY A 49 -20.678 16.348 2.921 1.00 11.32 C ATOM 580 O GLY A 49 -20.929 17.327 2.220 1.00 51.03 O ATOM 0 H GLY A 49 -20.295 14.645 5.325 1.00 21.12 H new ATOM 0 HA2 GLY A 49 -21.942 16.038 4.610 1.00 21.12 H new ATOM 0 HA3 GLY A 49 -20.882 17.427 4.748 1.00 21.12 H new ATOM 584 N LEU A 50 -20.175 15.228 2.429 1.00 14.23 N ATOM 585 CA LEU A 50 -19.952 15.053 1.030 1.00 41.11 C ATOM 586 C LEU A 50 -21.270 14.785 0.379 1.00 4.41 C ATOM 587 O LEU A 50 -21.841 13.690 0.516 1.00 61.30 O ATOM 588 CB LEU A 50 -19.003 13.899 0.804 1.00 11.34 C ATOM 589 CG LEU A 50 -18.301 13.895 -0.529 1.00 41.04 C ATOM 590 CD1 LEU A 50 -17.398 15.124 -0.698 1.00 11.11 C ATOM 591 CD2 LEU A 50 -17.503 12.661 -0.671 1.00 62.14 C ATOM 0 H LEU A 50 -19.915 14.424 3.000 1.00 14.23 H new ATOM 0 HA LEU A 50 -19.504 15.948 0.599 1.00 41.11 H new ATOM 0 HB2 LEU A 50 -18.250 13.909 1.592 1.00 11.34 H new ATOM 0 HB3 LEU A 50 -19.559 12.967 0.906 1.00 11.34 H new ATOM 0 HG LEU A 50 -19.062 13.932 -1.308 1.00 41.04 H new ATOM 0 HD11 LEU A 50 -16.909 15.085 -1.671 1.00 11.11 H new ATOM 0 HD12 LEU A 50 -18.000 16.030 -0.630 1.00 11.11 H new ATOM 0 HD13 LEU A 50 -16.642 15.131 0.087 1.00 11.11 H new ATOM 0 HD21 LEU A 50 -16.998 12.664 -1.637 1.00 62.14 H new ATOM 0 HD22 LEU A 50 -16.761 12.613 0.126 1.00 62.14 H new ATOM 0 HD23 LEU A 50 -18.160 11.794 -0.608 1.00 62.14 H new ATOM 603 N ASP A 51 -21.792 15.813 -0.249 1.00 62.30 N ATOM 604 CA ASP A 51 -23.048 15.744 -0.944 1.00 21.44 C ATOM 605 C ASP A 51 -22.976 14.691 -2.029 1.00 52.24 C ATOM 606 O ASP A 51 -21.892 14.374 -2.562 1.00 75.24 O ATOM 607 CB ASP A 51 -23.440 17.108 -1.542 1.00 74.34 C ATOM 608 CG ASP A 51 -22.492 17.576 -2.622 1.00 41.44 C ATOM 609 OD1 ASP A 51 -21.517 18.304 -2.305 1.00 22.50 O ATOM 610 OD2 ASP A 51 -22.698 17.201 -3.791 1.00 34.01 O1- ATOM 0 H ASP A 51 -21.348 16.730 -0.290 1.00 62.30 H new ATOM 0 HA ASP A 51 -23.820 15.469 -0.225 1.00 21.44 H new ATOM 0 HB2 ASP A 51 -24.447 17.041 -1.954 1.00 74.34 H new ATOM 0 HB3 ASP A 51 -23.470 17.852 -0.746 1.00 74.34 H new ATOM 615 N SER A 52 -24.103 14.144 -2.366 1.00 73.21 N ATOM 616 CA SER A 52 -24.130 13.079 -3.304 1.00 32.14 C ATOM 617 C SER A 52 -23.837 13.515 -4.732 1.00 45.42 C ATOM 618 O SER A 52 -23.519 12.672 -5.565 1.00 12.12 O ATOM 619 CB SER A 52 -25.401 12.291 -3.189 1.00 51.13 C ATOM 620 OG SER A 52 -25.549 11.822 -1.854 1.00 64.32 O ATOM 0 H SER A 52 -25.014 14.422 -2.002 1.00 73.21 H new ATOM 0 HA SER A 52 -23.305 12.416 -3.043 1.00 32.14 H new ATOM 0 HB2 SER A 52 -26.253 12.913 -3.464 1.00 51.13 H new ATOM 0 HB3 SER A 52 -25.384 11.450 -3.882 1.00 51.13 H new ATOM 0 HG SER A 52 -26.380 11.308 -1.778 1.00 64.32 H new ATOM 626 N ILE A 53 -23.885 14.818 -5.028 1.00 3.43 N ATOM 627 CA ILE A 53 -23.523 15.226 -6.357 1.00 13.12 C ATOM 628 C ILE A 53 -22.037 15.140 -6.459 1.00 12.24 C ATOM 629 O ILE A 53 -21.533 14.598 -7.422 1.00 14.32 O ATOM 630 CB ILE A 53 -23.979 16.638 -6.787 1.00 23.42 C ATOM 631 CG1 ILE A 53 -25.507 16.800 -6.612 1.00 3.23 C ATOM 632 CG2 ILE A 53 -23.572 16.869 -8.270 1.00 1.44 C ATOM 633 CD1 ILE A 53 -26.348 15.815 -7.413 1.00 64.31 C ATOM 0 H ILE A 53 -24.159 15.564 -4.389 1.00 3.43 H new ATOM 0 HA ILE A 53 -24.049 14.555 -7.035 1.00 13.12 H new ATOM 0 HB ILE A 53 -23.494 17.381 -6.154 1.00 23.42 H new ATOM 0 HG12 ILE A 53 -25.751 16.690 -5.555 1.00 3.23 H new ATOM 0 HG13 ILE A 53 -25.786 17.813 -6.900 1.00 3.23 H new ATOM 0 HG21 ILE A 53 -23.889 17.863 -8.584 1.00 1.44 H new ATOM 0 HG22 ILE A 53 -22.490 16.786 -8.367 1.00 1.44 H new ATOM 0 HG23 ILE A 53 -24.051 16.120 -8.900 1.00 1.44 H new ATOM 0 HD11 ILE A 53 -27.405 16.004 -7.227 1.00 64.31 H new ATOM 0 HD12 ILE A 53 -26.138 15.938 -8.476 1.00 64.31 H new ATOM 0 HD13 ILE A 53 -26.103 14.797 -7.110 1.00 64.31 H new ATOM 645 N ARG A 54 -21.330 15.624 -5.410 1.00 24.52 N ATOM 646 CA ARG A 54 -19.884 15.532 -5.326 1.00 72.50 C ATOM 647 C ARG A 54 -19.494 14.112 -5.588 1.00 65.12 C ATOM 648 O ARG A 54 -18.700 13.827 -6.487 1.00 33.52 O ATOM 649 CB ARG A 54 -19.409 15.902 -3.923 1.00 71.02 C ATOM 650 CG ARG A 54 -18.510 17.111 -3.841 1.00 13.14 C ATOM 651 CD ARG A 54 -19.211 18.368 -4.303 1.00 72.14 C ATOM 652 NE ARG A 54 -18.391 19.541 -4.046 1.00 63.54 N ATOM 653 CZ ARG A 54 -18.612 20.404 -3.058 1.00 32.40 C ATOM 654 NH1 ARG A 54 -19.682 20.257 -2.250 1.00 43.12 N1+ ATOM 655 NH2 ARG A 54 -17.765 21.415 -2.879 1.00 42.41 N ATOM 0 H ARG A 54 -21.761 16.085 -4.609 1.00 24.52 H new ATOM 0 HA ARG A 54 -19.436 16.212 -6.050 1.00 72.50 H new ATOM 0 HB2 ARG A 54 -20.283 16.078 -3.296 1.00 71.02 H new ATOM 0 HB3 ARG A 54 -18.880 15.048 -3.500 1.00 71.02 H new ATOM 0 HG2 ARG A 54 -18.170 17.242 -2.814 1.00 13.14 H new ATOM 0 HG3 ARG A 54 -17.622 16.945 -4.451 1.00 13.14 H new ATOM 0 HD2 ARG A 54 -19.429 18.297 -5.369 1.00 72.14 H new ATOM 0 HD3 ARG A 54 -20.167 18.467 -3.788 1.00 72.14 H new ATOM 0 HE ARG A 54 -17.596 19.713 -4.662 1.00 63.54 H new ATOM 0 HH11 ARG A 54 -20.327 19.481 -2.395 1.00 43.12 H new ATOM 0 HH12 ARG A 54 -19.846 20.922 -1.494 1.00 43.12 H new ATOM 0 HH21 ARG A 54 -16.959 21.520 -3.495 1.00 42.41 H new ATOM 0 HH22 ARG A 54 -17.922 22.084 -2.126 1.00 42.41 H new ATOM 669 N LEU A 55 -20.171 13.254 -4.866 1.00 23.42 N ATOM 670 CA LEU A 55 -19.996 11.830 -4.866 1.00 72.01 C ATOM 671 C LEU A 55 -20.169 11.241 -6.292 1.00 14.14 C ATOM 672 O LEU A 55 -19.283 10.561 -6.800 1.00 0.33 O ATOM 673 CB LEU A 55 -21.036 11.256 -3.884 1.00 54.31 C ATOM 674 CG LEU A 55 -20.751 9.909 -3.226 1.00 42.24 C ATOM 675 CD1 LEU A 55 -19.353 9.887 -2.664 1.00 54.23 C ATOM 676 CD2 LEU A 55 -21.718 9.712 -2.085 1.00 62.02 C ATOM 0 H LEU A 55 -20.904 13.555 -4.224 1.00 23.42 H new ATOM 0 HA LEU A 55 -18.987 11.562 -4.553 1.00 72.01 H new ATOM 0 HB2 LEU A 55 -21.182 11.988 -3.090 1.00 54.31 H new ATOM 0 HB3 LEU A 55 -21.983 11.171 -4.417 1.00 54.31 H new ATOM 0 HG LEU A 55 -20.858 9.121 -3.972 1.00 42.24 H new ATOM 0 HD11 LEU A 55 -19.164 8.920 -2.198 1.00 54.23 H new ATOM 0 HD12 LEU A 55 -18.635 10.049 -3.468 1.00 54.23 H new ATOM 0 HD13 LEU A 55 -19.248 10.676 -1.919 1.00 54.23 H new ATOM 0 HD21 LEU A 55 -21.525 8.752 -1.606 1.00 62.02 H new ATOM 0 HD22 LEU A 55 -21.590 10.513 -1.357 1.00 62.02 H new ATOM 0 HD23 LEU A 55 -22.739 9.728 -2.466 1.00 62.02 H new ATOM 688 N MET A 56 -21.276 11.553 -6.954 1.00 63.42 N ATOM 689 CA MET A 56 -21.531 10.995 -8.287 1.00 43.22 C ATOM 690 C MET A 56 -20.786 11.708 -9.409 1.00 22.42 C ATOM 691 O MET A 56 -20.635 11.147 -10.508 1.00 53.40 O ATOM 692 CB MET A 56 -23.019 10.840 -8.597 1.00 53.14 C ATOM 693 CG MET A 56 -23.822 12.119 -8.595 1.00 32.25 C ATOM 694 SD MET A 56 -25.590 11.810 -8.750 1.00 11.10 S ATOM 695 CE MET A 56 -25.874 10.777 -7.299 1.00 24.22 C ATOM 0 H MET A 56 -22.003 12.177 -6.603 1.00 63.42 H new ATOM 0 HA MET A 56 -21.112 9.990 -8.246 1.00 43.22 H new ATOM 0 HB2 MET A 56 -23.121 10.369 -9.575 1.00 53.14 H new ATOM 0 HB3 MET A 56 -23.455 10.157 -7.868 1.00 53.14 H new ATOM 0 HG2 MET A 56 -23.630 12.666 -7.672 1.00 32.25 H new ATOM 0 HG3 MET A 56 -23.492 12.755 -9.417 1.00 32.25 H new ATOM 0 HE1 MET A 56 -26.836 11.031 -6.854 1.00 24.22 H new ATOM 0 HE2 MET A 56 -25.876 9.728 -7.594 1.00 24.22 H new ATOM 0 HE3 MET A 56 -25.082 10.947 -6.570 1.00 24.22 H new ATOM 705 N ARG A 57 -20.319 12.941 -9.167 1.00 42.34 N ATOM 706 CA ARG A 57 -19.469 13.589 -10.156 1.00 42.24 C ATOM 707 C ARG A 57 -18.199 12.767 -10.230 1.00 71.22 C ATOM 708 O ARG A 57 -17.681 12.475 -11.302 1.00 43.22 O ATOM 709 CB ARG A 57 -19.003 14.970 -9.747 1.00 4.14 C ATOM 710 CG ARG A 57 -20.055 16.020 -9.506 1.00 43.13 C ATOM 711 CD ARG A 57 -19.381 17.247 -8.934 1.00 32.31 C ATOM 712 NE ARG A 57 -18.448 16.836 -7.876 1.00 13.21 N ATOM 713 CZ ARG A 57 -17.484 17.570 -7.349 1.00 40.03 C ATOM 714 NH1 ARG A 57 -17.439 18.877 -7.544 1.00 71.01 N1+ ATOM 715 NH2 ARG A 57 -16.577 16.990 -6.590 1.00 53.44 N ATOM 0 H ARG A 57 -20.510 13.487 -8.327 1.00 42.34 H new ATOM 0 HA ARG A 57 -20.045 13.666 -11.078 1.00 42.24 H new ATOM 0 HB2 ARG A 57 -18.415 14.869 -8.835 1.00 4.14 H new ATOM 0 HB3 ARG A 57 -18.331 15.340 -10.521 1.00 4.14 H new ATOM 0 HG2 ARG A 57 -20.565 16.267 -10.437 1.00 43.13 H new ATOM 0 HG3 ARG A 57 -20.812 15.647 -8.817 1.00 43.13 H new ATOM 0 HD2 ARG A 57 -18.847 17.782 -9.719 1.00 32.31 H new ATOM 0 HD3 ARG A 57 -20.127 17.932 -8.532 1.00 32.31 H new ATOM 0 HE ARG A 57 -18.555 15.889 -7.512 1.00 13.21 H new ATOM 0 HH11 ARG A 57 -18.156 19.333 -8.109 1.00 71.01 H new ATOM 0 HH12 ARG A 57 -16.688 19.429 -7.130 1.00 71.01 H new ATOM 0 HH21 ARG A 57 -16.624 15.986 -6.415 1.00 53.44 H new ATOM 0 HH22 ARG A 57 -15.827 17.545 -6.177 1.00 53.44 H new ATOM 729 N TRP A 58 -17.731 12.376 -9.025 1.00 10.44 N ATOM 730 CA TRP A 58 -16.513 11.610 -8.851 1.00 21.33 C ATOM 731 C TRP A 58 -16.535 10.308 -9.622 1.00 63.11 C ATOM 732 O TRP A 58 -15.535 9.931 -10.200 1.00 63.31 O ATOM 733 CB TRP A 58 -16.177 11.360 -7.365 1.00 5.45 C ATOM 734 CG TRP A 58 -15.680 12.569 -6.590 1.00 74.02 C ATOM 735 CD1 TRP A 58 -16.066 12.972 -5.331 1.00 11.14 C ATOM 736 CD2 TRP A 58 -14.696 13.518 -7.018 1.00 62.12 C ATOM 737 NE1 TRP A 58 -15.365 14.089 -4.955 1.00 32.03 N ATOM 738 CE2 TRP A 58 -14.514 14.438 -5.974 1.00 22.14 C ATOM 739 CE3 TRP A 58 -13.940 13.674 -8.178 1.00 51.23 C ATOM 740 CZ2 TRP A 58 -13.608 15.481 -6.068 1.00 40.10 C ATOM 741 CZ3 TRP A 58 -13.055 14.711 -8.260 1.00 35.12 C ATOM 742 CH2 TRP A 58 -12.894 15.593 -7.216 1.00 13.01 C ATOM 0 H TRP A 58 -18.204 12.593 -8.148 1.00 10.44 H new ATOM 0 HA TRP A 58 -15.717 12.227 -9.267 1.00 21.33 H new ATOM 0 HB2 TRP A 58 -17.068 10.975 -6.870 1.00 5.45 H new ATOM 0 HB3 TRP A 58 -15.419 10.579 -7.309 1.00 5.45 H new ATOM 0 HD1 TRP A 58 -16.813 12.479 -4.727 1.00 11.14 H new ATOM 0 HE1 TRP A 58 -15.460 14.579 -4.066 1.00 32.03 H new ATOM 0 HE3 TRP A 58 -14.052 12.984 -9.001 1.00 51.23 H new ATOM 0 HZ2 TRP A 58 -13.475 16.181 -5.256 1.00 40.10 H new ATOM 0 HZ3 TRP A 58 -12.472 14.841 -9.160 1.00 35.12 H new ATOM 0 HH2 TRP A 58 -12.179 16.397 -7.313 1.00 13.01 H new ATOM 753 N LEU A 59 -17.696 9.661 -9.671 1.00 4.50 N ATOM 754 CA LEU A 59 -17.881 8.402 -10.412 1.00 34.13 C ATOM 755 C LEU A 59 -17.443 8.589 -11.883 1.00 71.10 C ATOM 756 O LEU A 59 -16.812 7.715 -12.490 1.00 42.11 O ATOM 757 CB LEU A 59 -19.381 7.971 -10.296 1.00 12.31 C ATOM 758 CG LEU A 59 -19.823 6.574 -10.833 1.00 33.11 C ATOM 759 CD1 LEU A 59 -19.854 6.503 -12.357 1.00 10.31 C ATOM 760 CD2 LEU A 59 -18.936 5.475 -10.265 1.00 65.12 C ATOM 0 H LEU A 59 -18.539 9.989 -9.200 1.00 4.50 H new ATOM 0 HA LEU A 59 -17.261 7.611 -9.990 1.00 34.13 H new ATOM 0 HB2 LEU A 59 -19.653 8.017 -9.242 1.00 12.31 H new ATOM 0 HB3 LEU A 59 -19.978 8.723 -10.812 1.00 12.31 H new ATOM 0 HG LEU A 59 -20.847 6.421 -10.492 1.00 33.11 H new ATOM 0 HD11 LEU A 59 -20.169 5.507 -12.669 1.00 10.31 H new ATOM 0 HD12 LEU A 59 -20.557 7.242 -12.741 1.00 10.31 H new ATOM 0 HD13 LEU A 59 -18.859 6.709 -12.751 1.00 10.31 H new ATOM 0 HD21 LEU A 59 -19.261 4.509 -10.652 1.00 65.12 H new ATOM 0 HD22 LEU A 59 -17.902 5.654 -10.559 1.00 65.12 H new ATOM 0 HD23 LEU A 59 -19.010 5.474 -9.177 1.00 65.12 H new ATOM 772 N HIS A 60 -17.728 9.753 -12.413 1.00 72.12 N ATOM 773 CA HIS A 60 -17.395 10.087 -13.782 1.00 62.55 C ATOM 774 C HIS A 60 -15.935 10.508 -13.892 1.00 1.42 C ATOM 775 O HIS A 60 -15.284 10.279 -14.911 1.00 2.11 O ATOM 776 CB HIS A 60 -18.339 11.177 -14.305 1.00 12.03 C ATOM 777 CG HIS A 60 -19.757 10.705 -14.437 1.00 31.51 C ATOM 778 ND1 HIS A 60 -20.699 10.733 -13.420 1.00 34.51 N ATOM 779 CD2 HIS A 60 -20.372 10.139 -15.492 1.00 22.55 C ATOM 780 CE1 HIS A 60 -21.824 10.186 -13.889 1.00 44.14 C ATOM 781 NE2 HIS A 60 -21.674 9.803 -15.152 1.00 35.42 N ATOM 0 H HIS A 60 -18.200 10.502 -11.906 1.00 72.12 H new ATOM 0 HA HIS A 60 -17.527 9.202 -14.405 1.00 62.55 H new ATOM 0 HB2 HIS A 60 -18.307 12.033 -13.631 1.00 12.03 H new ATOM 0 HB3 HIS A 60 -17.984 11.523 -15.276 1.00 12.03 H new ATOM 0 HD1 HIS A 60 -20.558 11.105 -12.481 1.00 34.51 H new ATOM 0 HD2 HIS A 60 -19.920 9.972 -16.458 1.00 22.55 H new ATOM 0 HE1 HIS A 60 -22.733 10.071 -13.318 1.00 44.14 H new ATOM 789 N TRP A 61 -15.423 11.071 -12.816 1.00 33.15 N ATOM 790 CA TRP A 61 -14.041 11.511 -12.737 1.00 40.04 C ATOM 791 C TRP A 61 -13.124 10.274 -12.725 1.00 52.00 C ATOM 792 O TRP A 61 -12.034 10.284 -13.296 1.00 63.42 O ATOM 793 CB TRP A 61 -13.844 12.348 -11.466 1.00 72.43 C ATOM 794 CG TRP A 61 -12.568 13.143 -11.411 1.00 74.24 C ATOM 795 CD1 TRP A 61 -12.430 14.465 -11.692 1.00 33.12 C ATOM 796 CD2 TRP A 61 -11.271 12.683 -11.039 1.00 21.04 C ATOM 797 NE1 TRP A 61 -11.131 14.857 -11.529 1.00 55.44 N ATOM 798 CE2 TRP A 61 -10.396 13.783 -11.131 1.00 14.35 C ATOM 799 CE3 TRP A 61 -10.760 11.452 -10.642 1.00 64.30 C ATOM 800 CZ2 TRP A 61 -9.051 13.682 -10.843 1.00 10.34 C ATOM 801 CZ3 TRP A 61 -9.430 11.357 -10.359 1.00 0.01 C ATOM 802 CH2 TRP A 61 -8.590 12.465 -10.461 1.00 34.11 C ATOM 0 H TRP A 61 -15.958 11.238 -11.964 1.00 33.15 H new ATOM 0 HA TRP A 61 -13.790 12.129 -13.599 1.00 40.04 H new ATOM 0 HB2 TRP A 61 -14.685 13.035 -11.369 1.00 72.43 H new ATOM 0 HB3 TRP A 61 -13.875 11.682 -10.604 1.00 72.43 H new ATOM 0 HD1 TRP A 61 -13.235 15.116 -12.001 1.00 33.12 H new ATOM 0 HE1 TRP A 61 -10.772 15.799 -11.681 1.00 55.44 H new ATOM 0 HE3 TRP A 61 -11.404 10.589 -10.560 1.00 64.30 H new ATOM 0 HZ2 TRP A 61 -8.393 14.535 -10.918 1.00 10.34 H new ATOM 0 HZ3 TRP A 61 -9.020 10.407 -10.050 1.00 0.01 H new ATOM 0 HH2 TRP A 61 -7.541 12.351 -10.229 1.00 34.11 H new ATOM 813 N PHE A 62 -13.564 9.221 -12.063 1.00 31.54 N ATOM 814 CA PHE A 62 -12.849 7.952 -12.087 1.00 63.32 C ATOM 815 C PHE A 62 -12.813 7.424 -13.499 1.00 2.20 C ATOM 816 O PHE A 62 -11.764 7.121 -14.065 1.00 63.21 O ATOM 817 CB PHE A 62 -13.557 6.895 -11.220 1.00 61.14 C ATOM 818 CG PHE A 62 -13.408 7.065 -9.752 1.00 51.01 C ATOM 819 CD1 PHE A 62 -12.251 6.697 -9.152 1.00 3.40 C ATOM 820 CD2 PHE A 62 -14.427 7.563 -8.977 1.00 11.04 C ATOM 821 CE1 PHE A 62 -12.087 6.820 -7.789 1.00 23.13 C ATOM 822 CE2 PHE A 62 -14.283 7.697 -7.620 1.00 13.22 C ATOM 823 CZ PHE A 62 -13.108 7.323 -7.025 1.00 63.54 C ATOM 0 H PHE A 62 -14.414 9.216 -11.500 1.00 31.54 H new ATOM 0 HA PHE A 62 -11.846 8.131 -11.701 1.00 63.32 H new ATOM 0 HB2 PHE A 62 -14.620 6.904 -11.463 1.00 61.14 H new ATOM 0 HB3 PHE A 62 -13.176 5.911 -11.494 1.00 61.14 H new ATOM 0 HD1 PHE A 62 -11.444 6.301 -9.751 1.00 3.40 H new ATOM 0 HD2 PHE A 62 -15.356 7.854 -9.444 1.00 11.04 H new ATOM 0 HE1 PHE A 62 -11.158 6.522 -7.325 1.00 23.13 H new ATOM 0 HE2 PHE A 62 -15.091 8.095 -7.024 1.00 13.22 H new ATOM 0 HZ PHE A 62 -12.986 7.424 -5.957 1.00 63.54 H new ATOM 833 N ARG A 63 -13.962 7.404 -14.072 1.00 3.44 N ATOM 834 CA ARG A 63 -14.206 6.790 -15.335 1.00 33.11 C ATOM 835 C ARG A 63 -13.474 7.481 -16.525 1.00 12.35 C ATOM 836 O ARG A 63 -13.447 6.916 -17.607 1.00 72.45 O ATOM 837 CB ARG A 63 -15.707 6.656 -15.546 1.00 75.31 C ATOM 838 CG ARG A 63 -16.126 5.397 -16.283 1.00 70.41 C ATOM 839 CD ARG A 63 -17.635 5.365 -16.477 1.00 65.33 C ATOM 840 NE ARG A 63 -18.114 6.494 -17.305 1.00 73.43 N ATOM 841 CZ ARG A 63 -19.261 7.178 -17.108 1.00 62.43 C ATOM 842 NH1 ARG A 63 -20.041 6.907 -16.054 1.00 72.00 N1+ ATOM 843 NH2 ARG A 63 -19.616 8.147 -17.961 1.00 15.45 N ATOM 0 H ARG A 63 -14.793 7.830 -13.661 1.00 3.44 H new ATOM 0 HA ARG A 63 -13.767 5.792 -15.315 1.00 33.11 H new ATOM 0 HB2 ARG A 63 -16.201 6.676 -14.575 1.00 75.31 H new ATOM 0 HB3 ARG A 63 -16.062 7.523 -16.102 1.00 75.31 H new ATOM 0 HG2 ARG A 63 -15.629 5.354 -17.252 1.00 70.41 H new ATOM 0 HG3 ARG A 63 -15.808 4.518 -15.722 1.00 70.41 H new ATOM 0 HD2 ARG A 63 -17.920 4.424 -16.948 1.00 65.33 H new ATOM 0 HD3 ARG A 63 -18.126 5.396 -15.504 1.00 65.33 H new ATOM 0 HE ARG A 63 -17.529 6.779 -18.090 1.00 73.43 H new ATOM 0 HH11 ARG A 63 -19.770 6.179 -15.393 1.00 72.00 H new ATOM 0 HH12 ARG A 63 -20.906 7.428 -15.912 1.00 72.00 H new ATOM 0 HH21 ARG A 63 -19.020 8.368 -18.759 1.00 15.45 H new ATOM 0 HH22 ARG A 63 -20.482 8.664 -17.813 1.00 15.45 H new ATOM 857 N LYS A 64 -12.911 8.716 -16.313 1.00 52.43 N ATOM 858 CA LYS A 64 -12.153 9.463 -17.386 1.00 73.42 C ATOM 859 C LYS A 64 -11.137 8.551 -18.057 1.00 13.33 C ATOM 860 O LYS A 64 -11.093 8.428 -19.266 1.00 73.22 O ATOM 861 CB LYS A 64 -11.270 10.601 -16.823 1.00 72.22 C ATOM 862 CG LYS A 64 -11.890 11.627 -15.909 1.00 23.42 C ATOM 863 CD LYS A 64 -10.852 12.720 -15.535 1.00 11.20 C ATOM 864 CE LYS A 64 -9.478 12.153 -15.044 1.00 72.10 C ATOM 865 NZ LYS A 64 -9.554 11.384 -13.773 1.00 52.20 N1+ ATOM 0 H LYS A 64 -12.964 9.212 -15.423 1.00 52.43 H new ATOM 0 HA LYS A 64 -12.929 9.840 -18.052 1.00 73.42 H new ATOM 0 HB2 LYS A 64 -10.443 10.139 -16.285 1.00 72.22 H new ATOM 0 HB3 LYS A 64 -10.840 11.134 -17.671 1.00 72.22 H new ATOM 0 HG2 LYS A 64 -12.750 12.086 -16.397 1.00 23.42 H new ATOM 0 HG3 LYS A 64 -12.258 11.142 -15.005 1.00 23.42 H new ATOM 0 HD2 LYS A 64 -10.681 13.356 -16.403 1.00 11.20 H new ATOM 0 HD3 LYS A 64 -11.272 13.353 -14.753 1.00 11.20 H new ATOM 0 HE2 LYS A 64 -9.065 11.509 -15.821 1.00 72.10 H new ATOM 0 HE3 LYS A 64 -8.782 12.981 -14.913 1.00 72.10 H new ATOM 0 HZ1 LYS A 64 -9.015 10.500 -13.869 1.00 52.20 H new ATOM 0 HZ2 LYS A 64 -9.153 11.952 -12.999 1.00 52.20 H new ATOM 0 HZ3 LYS A 64 -10.548 11.162 -13.561 1.00 52.20 H new ATOM 879 N ASN A 65 -10.341 7.897 -17.225 1.00 53.42 N ATOM 880 CA ASN A 65 -9.223 7.084 -17.700 1.00 65.31 C ATOM 881 C ASN A 65 -9.626 5.639 -17.677 1.00 13.03 C ATOM 882 O ASN A 65 -8.791 4.736 -17.724 1.00 64.33 O ATOM 883 CB ASN A 65 -7.978 7.281 -16.810 1.00 12.51 C ATOM 884 CG ASN A 65 -7.526 8.731 -16.681 1.00 2.12 C ATOM 885 OD1 ASN A 65 -7.732 9.553 -17.562 1.00 44.03 O ATOM 886 ND2 ASN A 65 -6.907 9.046 -15.579 1.00 35.40 N ATOM 0 H ASN A 65 -10.447 7.912 -16.211 1.00 53.42 H new ATOM 0 HA ASN A 65 -8.972 7.393 -18.715 1.00 65.31 H new ATOM 0 HB2 ASN A 65 -8.190 6.888 -15.816 1.00 12.51 H new ATOM 0 HB3 ASN A 65 -7.157 6.691 -17.217 1.00 12.51 H new ATOM 0 HD21 ASN A 65 -6.579 10.001 -15.433 1.00 35.40 H new ATOM 0 HD22 ASN A 65 -6.750 8.338 -14.862 1.00 35.40 H new ATOM 893 N GLY A 66 -10.914 5.428 -17.610 1.00 21.43 N ATOM 894 CA GLY A 66 -11.448 4.114 -17.571 1.00 32.13 C ATOM 895 C GLY A 66 -11.277 3.454 -16.228 1.00 72.43 C ATOM 896 O GLY A 66 -11.072 2.244 -16.166 1.00 73.23 O ATOM 0 H GLY A 66 -11.613 6.170 -17.581 1.00 21.43 H new ATOM 0 HA2 GLY A 66 -12.508 4.150 -17.821 1.00 32.13 H new ATOM 0 HA3 GLY A 66 -10.962 3.506 -18.334 1.00 32.13 H new ATOM 900 N TYR A 67 -11.336 4.229 -15.135 1.00 55.31 N ATOM 901 CA TYR A 67 -11.269 3.607 -13.829 1.00 74.10 C ATOM 902 C TYR A 67 -12.510 2.862 -13.530 1.00 32.55 C ATOM 903 O TYR A 67 -13.549 3.056 -14.174 1.00 70.34 O ATOM 904 CB TYR A 67 -10.863 4.522 -12.680 1.00 20.50 C ATOM 905 CG TYR A 67 -9.431 4.914 -12.753 1.00 4.41 C ATOM 906 CD1 TYR A 67 -8.434 3.955 -12.671 1.00 55.51 C ATOM 907 CD2 TYR A 67 -9.070 6.223 -12.919 1.00 50.41 C ATOM 908 CE1 TYR A 67 -7.114 4.301 -12.766 1.00 12.04 C ATOM 909 CE2 TYR A 67 -7.751 6.584 -13.007 1.00 44.14 C ATOM 910 CZ TYR A 67 -6.777 5.618 -12.937 1.00 70.41 C ATOM 911 OH TYR A 67 -5.467 5.969 -13.049 1.00 13.41 O ATOM 0 H TYR A 67 -11.426 5.245 -15.137 1.00 55.31 H new ATOM 0 HA TYR A 67 -10.440 2.903 -13.902 1.00 74.10 H new ATOM 0 HB2 TYR A 67 -11.484 5.418 -12.694 1.00 20.50 H new ATOM 0 HB3 TYR A 67 -11.052 4.018 -11.732 1.00 20.50 H new ATOM 0 HD1 TYR A 67 -8.703 2.919 -12.530 1.00 55.51 H new ATOM 0 HD2 TYR A 67 -9.835 6.983 -12.982 1.00 50.41 H new ATOM 0 HE1 TYR A 67 -6.346 3.544 -12.707 1.00 12.04 H new ATOM 0 HE2 TYR A 67 -7.479 7.622 -13.131 1.00 44.14 H new ATOM 0 HH TYR A 67 -5.072 5.516 -13.823 1.00 13.41 H new ATOM 921 N ARG A 68 -12.437 2.063 -12.537 1.00 43.23 N ATOM 922 CA ARG A 68 -13.451 1.066 -12.344 1.00 20.31 C ATOM 923 C ARG A 68 -13.831 0.928 -10.922 1.00 73.04 C ATOM 924 O ARG A 68 -13.048 0.453 -10.121 1.00 12.12 O ATOM 925 CB ARG A 68 -12.956 -0.287 -12.889 1.00 62.12 C ATOM 926 CG ARG A 68 -12.843 -0.347 -14.407 1.00 42.52 C ATOM 927 CD ARG A 68 -11.942 -1.482 -14.863 1.00 23.21 C ATOM 928 NE ARG A 68 -10.552 -1.265 -14.420 1.00 22.03 N ATOM 929 CZ ARG A 68 -9.590 -0.676 -15.159 1.00 13.55 C ATOM 930 NH1 ARG A 68 -9.817 -0.356 -16.436 1.00 73.12 N1+ ATOM 931 NH2 ARG A 68 -8.413 -0.398 -14.614 1.00 14.41 N ATOM 0 H ARG A 68 -11.693 2.068 -11.839 1.00 43.23 H new ATOM 0 HA ARG A 68 -14.339 1.385 -12.890 1.00 20.31 H new ATOM 0 HB2 ARG A 68 -11.980 -0.506 -12.455 1.00 62.12 H new ATOM 0 HB3 ARG A 68 -13.636 -1.071 -12.556 1.00 62.12 H new ATOM 0 HG2 ARG A 68 -13.835 -0.474 -14.840 1.00 42.52 H new ATOM 0 HG3 ARG A 68 -12.452 0.600 -14.780 1.00 42.52 H new ATOM 0 HD2 ARG A 68 -12.311 -2.427 -14.464 1.00 23.21 H new ATOM 0 HD3 ARG A 68 -11.973 -1.561 -15.950 1.00 23.21 H new ATOM 0 HE ARG A 68 -10.300 -1.584 -13.485 1.00 22.03 H new ATOM 0 HH11 ARG A 68 -10.723 -0.557 -16.859 1.00 73.12 H new ATOM 0 HH12 ARG A 68 -9.084 0.089 -16.988 1.00 73.12 H new ATOM 0 HH21 ARG A 68 -8.236 -0.630 -13.637 1.00 14.41 H new ATOM 0 HH22 ARG A 68 -7.685 0.047 -15.172 1.00 14.41 H new ATOM 945 N LEU A 69 -14.989 1.421 -10.610 1.00 25.52 N ATOM 946 CA LEU A 69 -15.616 1.201 -9.328 1.00 15.01 C ATOM 947 C LEU A 69 -17.035 1.640 -9.406 1.00 31.22 C ATOM 948 O LEU A 69 -17.391 2.422 -10.298 1.00 25.45 O ATOM 949 CB LEU A 69 -14.843 1.848 -8.129 1.00 3.12 C ATOM 950 CG LEU A 69 -14.491 3.349 -8.188 1.00 74.54 C ATOM 951 CD1 LEU A 69 -15.714 4.245 -8.034 1.00 73.54 C ATOM 952 CD2 LEU A 69 -13.456 3.672 -7.129 1.00 12.12 C ATOM 0 H LEU A 69 -15.541 1.998 -11.244 1.00 25.52 H new ATOM 0 HA LEU A 69 -15.583 0.133 -9.111 1.00 15.01 H new ATOM 0 HB2 LEU A 69 -15.436 1.684 -7.229 1.00 3.12 H new ATOM 0 HB3 LEU A 69 -13.911 1.296 -8.002 1.00 3.12 H new ATOM 0 HG LEU A 69 -14.080 3.552 -9.177 1.00 74.54 H new ATOM 0 HD11 LEU A 69 -15.408 5.290 -8.083 1.00 73.54 H new ATOM 0 HD12 LEU A 69 -16.422 4.036 -8.836 1.00 73.54 H new ATOM 0 HD13 LEU A 69 -16.189 4.051 -7.072 1.00 73.54 H new ATOM 0 HD21 LEU A 69 -13.209 4.733 -7.173 1.00 12.12 H new ATOM 0 HD22 LEU A 69 -13.857 3.433 -6.144 1.00 12.12 H new ATOM 0 HD23 LEU A 69 -12.557 3.083 -7.308 1.00 12.12 H new ATOM 964 N THR A 70 -17.856 1.135 -8.554 1.00 62.00 N ATOM 965 CA THR A 70 -19.198 1.579 -8.529 1.00 12.23 C ATOM 966 C THR A 70 -19.369 2.524 -7.361 1.00 42.12 C ATOM 967 O THR A 70 -18.734 2.354 -6.320 1.00 15.43 O ATOM 968 CB THR A 70 -20.212 0.404 -8.440 1.00 51.20 C ATOM 969 OG1 THR A 70 -19.967 -0.389 -7.272 1.00 34.40 O ATOM 970 CG2 THR A 70 -20.134 -0.480 -9.677 1.00 34.23 C ATOM 0 H THR A 70 -17.620 0.417 -7.869 1.00 62.00 H new ATOM 0 HA THR A 70 -19.410 2.093 -9.467 1.00 12.23 H new ATOM 0 HB THR A 70 -21.211 0.836 -8.378 1.00 51.20 H new ATOM 0 HG1 THR A 70 -19.035 -0.691 -7.271 1.00 34.40 H new ATOM 0 HG21 THR A 70 -20.854 -1.294 -9.589 1.00 34.23 H new ATOM 0 HG22 THR A 70 -20.363 0.113 -10.563 1.00 34.23 H new ATOM 0 HG23 THR A 70 -19.129 -0.892 -9.767 1.00 34.23 H new ATOM 978 N LEU A 71 -20.214 3.519 -7.519 1.00 13.12 N ATOM 979 CA LEU A 71 -20.470 4.487 -6.455 1.00 31.33 C ATOM 980 C LEU A 71 -21.100 3.776 -5.264 1.00 34.44 C ATOM 981 O LEU A 71 -21.005 4.219 -4.138 1.00 40.41 O ATOM 982 CB LEU A 71 -21.392 5.540 -6.953 1.00 51.31 C ATOM 983 CG LEU A 71 -21.487 6.801 -6.129 1.00 2.30 C ATOM 984 CD1 LEU A 71 -20.141 7.427 -6.060 1.00 33.35 C ATOM 985 CD2 LEU A 71 -22.492 7.757 -6.732 1.00 23.22 C ATOM 0 H LEU A 71 -20.742 3.686 -8.376 1.00 13.12 H new ATOM 0 HA LEU A 71 -19.531 4.947 -6.147 1.00 31.33 H new ATOM 0 HB2 LEU A 71 -21.082 5.815 -7.961 1.00 51.31 H new ATOM 0 HB3 LEU A 71 -22.390 5.109 -7.032 1.00 51.31 H new ATOM 0 HG LEU A 71 -21.828 6.557 -5.123 1.00 2.30 H new ATOM 0 HD11 LEU A 71 -20.194 8.340 -5.467 1.00 33.35 H new ATOM 0 HD12 LEU A 71 -19.440 6.733 -5.595 1.00 33.35 H new ATOM 0 HD13 LEU A 71 -19.800 7.668 -7.067 1.00 33.35 H new ATOM 0 HD21 LEU A 71 -22.546 8.660 -6.124 1.00 23.22 H new ATOM 0 HD22 LEU A 71 -22.183 8.019 -7.744 1.00 23.22 H new ATOM 0 HD23 LEU A 71 -23.472 7.282 -6.764 1.00 23.22 H new ATOM 997 N ARG A 72 -21.736 2.649 -5.569 1.00 52.14 N ATOM 998 CA ARG A 72 -22.291 1.703 -4.598 1.00 22.44 C ATOM 999 C ARG A 72 -21.254 1.395 -3.511 1.00 31.05 C ATOM 1000 O ARG A 72 -21.577 1.269 -2.342 1.00 43.20 O ATOM 1001 CB ARG A 72 -22.592 0.405 -5.360 1.00 3.32 C ATOM 1002 CG ARG A 72 -22.925 -0.806 -4.500 1.00 5.42 C ATOM 1003 CD ARG A 72 -22.845 -2.093 -5.321 1.00 61.12 C ATOM 1004 NE ARG A 72 -21.499 -2.274 -5.931 1.00 43.03 N ATOM 1005 CZ ARG A 72 -20.879 -3.444 -6.161 1.00 75.23 C ATOM 1006 NH1 ARG A 72 -21.477 -4.602 -5.849 1.00 32.33 N1+ ATOM 1007 NH2 ARG A 72 -19.653 -3.445 -6.703 1.00 24.52 N ATOM 0 H ARG A 72 -21.886 2.356 -6.534 1.00 52.14 H new ATOM 0 HA ARG A 72 -23.183 2.119 -4.130 1.00 22.44 H new ATOM 0 HB2 ARG A 72 -23.428 0.588 -6.036 1.00 3.32 H new ATOM 0 HB3 ARG A 72 -21.729 0.161 -5.979 1.00 3.32 H new ATOM 0 HG2 ARG A 72 -22.233 -0.862 -3.659 1.00 5.42 H new ATOM 0 HG3 ARG A 72 -23.926 -0.697 -4.083 1.00 5.42 H new ATOM 0 HD2 ARG A 72 -23.073 -2.947 -4.683 1.00 61.12 H new ATOM 0 HD3 ARG A 72 -23.601 -2.071 -6.106 1.00 61.12 H new ATOM 0 HE ARG A 72 -20.998 -1.427 -6.201 1.00 43.03 H new ATOM 0 HH11 ARG A 72 -22.409 -4.599 -5.434 1.00 32.33 H new ATOM 0 HH12 ARG A 72 -21.000 -5.486 -6.026 1.00 32.33 H new ATOM 0 HH21 ARG A 72 -19.198 -2.563 -6.937 1.00 24.52 H new ATOM 0 HH22 ARG A 72 -19.175 -4.328 -6.881 1.00 24.52 H new ATOM 1021 N GLU A 73 -20.010 1.351 -3.925 1.00 22.14 N ATOM 1022 CA GLU A 73 -18.906 0.971 -3.046 1.00 33.41 C ATOM 1023 C GLU A 73 -18.456 2.156 -2.224 1.00 31.12 C ATOM 1024 O GLU A 73 -18.022 2.015 -1.083 1.00 70.52 O ATOM 1025 CB GLU A 73 -17.767 0.396 -3.885 1.00 73.44 C ATOM 1026 CG GLU A 73 -18.178 -0.877 -4.584 1.00 62.22 C ATOM 1027 CD GLU A 73 -17.238 -1.335 -5.675 1.00 30.14 C ATOM 1028 OE1 GLU A 73 -17.500 -0.993 -6.856 1.00 64.44 O ATOM 1029 OE2 GLU A 73 -16.296 -2.091 -5.394 1.00 42.35 O1- ATOM 0 H GLU A 73 -19.724 1.576 -4.878 1.00 22.14 H new ATOM 0 HA GLU A 73 -19.238 0.203 -2.348 1.00 33.41 H new ATOM 0 HB2 GLU A 73 -17.452 1.132 -4.625 1.00 73.44 H new ATOM 0 HB3 GLU A 73 -16.907 0.199 -3.245 1.00 73.44 H new ATOM 0 HG2 GLU A 73 -18.264 -1.671 -3.842 1.00 62.22 H new ATOM 0 HG3 GLU A 73 -19.169 -0.734 -5.015 1.00 62.22 H new ATOM 1036 N LEU A 74 -18.641 3.324 -2.786 1.00 73.23 N ATOM 1037 CA LEU A 74 -18.256 4.567 -2.133 1.00 42.13 C ATOM 1038 C LEU A 74 -19.317 4.968 -1.105 1.00 72.54 C ATOM 1039 O LEU A 74 -19.073 5.792 -0.245 1.00 72.34 O ATOM 1040 CB LEU A 74 -18.029 5.686 -3.165 1.00 62.51 C ATOM 1041 CG LEU A 74 -17.106 5.334 -4.356 1.00 63.21 C ATOM 1042 CD1 LEU A 74 -16.761 6.561 -5.175 1.00 52.02 C ATOM 1043 CD2 LEU A 74 -15.843 4.629 -3.899 1.00 13.22 C ATOM 0 H LEU A 74 -19.061 3.449 -3.707 1.00 73.23 H new ATOM 0 HA LEU A 74 -17.312 4.409 -1.611 1.00 42.13 H new ATOM 0 HB2 LEU A 74 -18.998 5.991 -3.560 1.00 62.51 H new ATOM 0 HB3 LEU A 74 -17.609 6.549 -2.649 1.00 62.51 H new ATOM 0 HG LEU A 74 -17.663 4.647 -4.993 1.00 63.21 H new ATOM 0 HD11 LEU A 74 -16.112 6.275 -6.002 1.00 52.02 H new ATOM 0 HD12 LEU A 74 -17.676 7.005 -5.568 1.00 52.02 H new ATOM 0 HD13 LEU A 74 -16.247 7.287 -4.544 1.00 52.02 H new ATOM 0 HD21 LEU A 74 -15.221 4.399 -4.764 1.00 13.22 H new ATOM 0 HD22 LEU A 74 -15.291 5.277 -3.218 1.00 13.22 H new ATOM 0 HD23 LEU A 74 -16.108 3.704 -3.386 1.00 13.22 H new ATOM 1055 N TYR A 75 -20.512 4.401 -1.247 1.00 42.52 N ATOM 1056 CA TYR A 75 -21.563 4.541 -0.243 1.00 13.41 C ATOM 1057 C TYR A 75 -21.400 3.480 0.836 1.00 14.10 C ATOM 1058 O TYR A 75 -21.670 3.731 2.003 1.00 34.53 O ATOM 1059 CB TYR A 75 -22.972 4.414 -0.846 1.00 21.33 C ATOM 1060 CG TYR A 75 -23.542 5.660 -1.498 1.00 32.43 C ATOM 1061 CD1 TYR A 75 -23.355 5.931 -2.844 1.00 1.41 C ATOM 1062 CD2 TYR A 75 -24.310 6.548 -0.753 1.00 70.04 C ATOM 1063 CE1 TYR A 75 -23.916 7.054 -3.428 1.00 31.22 C ATOM 1064 CE2 TYR A 75 -24.868 7.673 -1.327 1.00 24.02 C ATOM 1065 CZ TYR A 75 -24.670 7.922 -2.664 1.00 63.34 C ATOM 1066 OH TYR A 75 -25.237 9.035 -3.245 1.00 73.04 O ATOM 0 H TYR A 75 -20.778 3.836 -2.054 1.00 42.52 H new ATOM 0 HA TYR A 75 -21.461 5.540 0.180 1.00 13.41 H new ATOM 0 HB2 TYR A 75 -22.955 3.617 -1.589 1.00 21.33 H new ATOM 0 HB3 TYR A 75 -23.654 4.099 -0.056 1.00 21.33 H new ATOM 0 HD1 TYR A 75 -22.763 5.257 -3.446 1.00 1.41 H new ATOM 0 HD2 TYR A 75 -24.474 6.354 0.297 1.00 70.04 H new ATOM 0 HE1 TYR A 75 -23.764 7.250 -4.479 1.00 31.22 H new ATOM 0 HE2 TYR A 75 -25.456 8.353 -0.729 1.00 24.02 H new ATOM 0 HH TYR A 75 -25.337 9.740 -2.572 1.00 73.04 H new ATOM 1076 N ALA A 76 -20.969 2.289 0.422 1.00 52.13 N ATOM 1077 CA ALA A 76 -20.773 1.170 1.340 1.00 10.04 C ATOM 1078 C ALA A 76 -19.634 1.460 2.302 1.00 50.43 C ATOM 1079 O ALA A 76 -19.755 1.257 3.509 1.00 41.33 O ATOM 1080 CB ALA A 76 -20.506 -0.116 0.568 1.00 14.33 C ATOM 0 H ALA A 76 -20.748 2.075 -0.550 1.00 52.13 H new ATOM 0 HA ALA A 76 -21.687 1.040 1.920 1.00 10.04 H new ATOM 0 HB1 ALA A 76 -20.363 -0.938 1.269 1.00 14.33 H new ATOM 0 HB2 ALA A 76 -21.355 -0.335 -0.079 1.00 14.33 H new ATOM 0 HB3 ALA A 76 -19.609 0.004 -0.039 1.00 14.33 H new ATOM 1086 N ALA A 77 -18.537 1.934 1.769 1.00 14.43 N ATOM 1087 CA ALA A 77 -17.417 2.311 2.578 1.00 75.05 C ATOM 1088 C ALA A 77 -16.953 3.697 2.174 1.00 10.11 C ATOM 1089 O ALA A 77 -16.029 3.847 1.360 1.00 74.11 O ATOM 1090 CB ALA A 77 -16.284 1.294 2.471 1.00 4.15 C ATOM 0 H ALA A 77 -18.400 2.067 0.767 1.00 14.43 H new ATOM 0 HA ALA A 77 -17.726 2.329 3.623 1.00 75.05 H new ATOM 0 HB1 ALA A 77 -15.450 1.611 3.097 1.00 4.15 H new ATOM 0 HB2 ALA A 77 -16.638 0.319 2.805 1.00 4.15 H new ATOM 0 HB3 ALA A 77 -15.954 1.225 1.435 1.00 4.15 H new ATOM 1096 N PRO A 78 -17.606 4.749 2.679 1.00 22.31 N ATOM 1097 CA PRO A 78 -17.252 6.084 2.314 1.00 24.13 C ATOM 1098 C PRO A 78 -16.092 6.585 3.132 1.00 71.44 C ATOM 1099 O PRO A 78 -16.263 7.227 4.161 1.00 15.02 O ATOM 1100 CB PRO A 78 -18.515 6.908 2.618 1.00 43.33 C ATOM 1101 CG PRO A 78 -19.498 5.947 3.229 1.00 51.14 C ATOM 1102 CD PRO A 78 -18.726 4.722 3.616 1.00 52.30 C ATOM 0 HA PRO A 78 -16.940 6.153 1.272 1.00 24.13 H new ATOM 0 HB2 PRO A 78 -18.292 7.726 3.303 1.00 43.33 H new ATOM 0 HB3 PRO A 78 -18.918 7.354 1.709 1.00 43.33 H new ATOM 0 HG2 PRO A 78 -19.981 6.390 4.100 1.00 51.14 H new ATOM 0 HG3 PRO A 78 -20.287 5.698 2.519 1.00 51.14 H new ATOM 0 HD2 PRO A 78 -18.390 4.764 4.652 1.00 52.30 H new ATOM 0 HD3 PRO A 78 -19.322 3.816 3.511 1.00 52.30 H new ATOM 1110 N THR A 79 -14.928 6.282 2.669 1.00 54.35 N ATOM 1111 CA THR A 79 -13.704 6.700 3.264 1.00 53.55 C ATOM 1112 C THR A 79 -12.762 6.975 2.131 1.00 10.45 C ATOM 1113 O THR A 79 -12.734 6.209 1.177 1.00 45.05 O ATOM 1114 CB THR A 79 -13.112 5.594 4.191 1.00 32.41 C ATOM 1115 OG1 THR A 79 -13.085 4.343 3.497 1.00 35.33 O ATOM 1116 CG2 THR A 79 -13.920 5.439 5.467 1.00 70.41 C ATOM 0 H THR A 79 -14.797 5.714 1.832 1.00 54.35 H new ATOM 0 HA THR A 79 -13.863 7.580 3.887 1.00 53.55 H new ATOM 0 HB THR A 79 -12.100 5.897 4.462 1.00 32.41 H new ATOM 0 HG1 THR A 79 -12.711 3.652 4.083 1.00 35.33 H new ATOM 0 HG21 THR A 79 -13.476 4.659 6.086 1.00 70.41 H new ATOM 0 HG22 THR A 79 -13.920 6.381 6.015 1.00 70.41 H new ATOM 0 HG23 THR A 79 -14.945 5.165 5.218 1.00 70.41 H new ATOM 1124 N LEU A 80 -12.030 8.057 2.212 1.00 62.13 N ATOM 1125 CA LEU A 80 -11.116 8.488 1.155 1.00 73.45 C ATOM 1126 C LEU A 80 -10.174 7.344 0.733 1.00 34.04 C ATOM 1127 O LEU A 80 -9.956 7.096 -0.461 1.00 22.52 O ATOM 1128 CB LEU A 80 -10.319 9.621 1.702 1.00 51.03 C ATOM 1129 CG LEU A 80 -9.379 10.363 0.764 1.00 34.32 C ATOM 1130 CD1 LEU A 80 -10.147 11.102 -0.300 1.00 25.32 C ATOM 1131 CD2 LEU A 80 -8.563 11.330 1.549 1.00 75.04 C ATOM 0 H LEU A 80 -12.044 8.680 3.020 1.00 62.13 H new ATOM 0 HA LEU A 80 -11.680 8.787 0.272 1.00 73.45 H new ATOM 0 HB2 LEU A 80 -11.017 10.348 2.116 1.00 51.03 H new ATOM 0 HB3 LEU A 80 -9.726 9.239 2.533 1.00 51.03 H new ATOM 0 HG LEU A 80 -8.732 9.635 0.276 1.00 34.32 H new ATOM 0 HD11 LEU A 80 -9.450 11.623 -0.956 1.00 25.32 H new ATOM 0 HD12 LEU A 80 -10.734 10.393 -0.884 1.00 25.32 H new ATOM 0 HD13 LEU A 80 -10.814 11.825 0.169 1.00 25.32 H new ATOM 0 HD21 LEU A 80 -7.888 11.864 0.880 1.00 75.04 H new ATOM 0 HD22 LEU A 80 -9.221 12.043 2.045 1.00 75.04 H new ATOM 0 HD23 LEU A 80 -7.981 10.792 2.298 1.00 75.04 H new ATOM 1143 N ALA A 81 -9.697 6.605 1.733 1.00 74.22 N ATOM 1144 CA ALA A 81 -8.782 5.494 1.532 1.00 60.00 C ATOM 1145 C ALA A 81 -9.422 4.376 0.720 1.00 3.43 C ATOM 1146 O ALA A 81 -8.746 3.708 -0.057 1.00 11.40 O ATOM 1147 CB ALA A 81 -8.316 4.945 2.871 1.00 42.45 C ATOM 0 H ALA A 81 -9.939 6.765 2.711 1.00 74.22 H new ATOM 0 HA ALA A 81 -7.927 5.874 0.973 1.00 60.00 H new ATOM 0 HB1 ALA A 81 -7.631 4.113 2.705 1.00 42.45 H new ATOM 0 HB2 ALA A 81 -7.805 5.730 3.428 1.00 42.45 H new ATOM 0 HB3 ALA A 81 -9.177 4.597 3.441 1.00 42.45 H new ATOM 1153 N ALA A 82 -10.723 4.180 0.886 1.00 21.24 N ATOM 1154 CA ALA A 82 -11.413 3.104 0.201 1.00 44.32 C ATOM 1155 C ALA A 82 -11.480 3.347 -1.279 1.00 53.33 C ATOM 1156 O ALA A 82 -11.117 2.482 -2.039 1.00 33.42 O ATOM 1157 CB ALA A 82 -12.806 2.872 0.754 1.00 25.32 C ATOM 0 H ALA A 82 -11.317 4.751 1.487 1.00 21.24 H new ATOM 0 HA ALA A 82 -10.828 2.202 0.380 1.00 44.32 H new ATOM 0 HB1 ALA A 82 -13.283 2.057 0.209 1.00 25.32 H new ATOM 0 HB2 ALA A 82 -12.739 2.612 1.811 1.00 25.32 H new ATOM 0 HB3 ALA A 82 -13.398 3.780 0.640 1.00 25.32 H new ATOM 1163 N TRP A 83 -11.878 4.559 -1.685 1.00 72.44 N ATOM 1164 CA TRP A 83 -12.059 4.868 -3.121 1.00 40.42 C ATOM 1165 C TRP A 83 -10.709 4.704 -3.819 1.00 11.40 C ATOM 1166 O TRP A 83 -10.611 4.185 -4.933 1.00 65.14 O ATOM 1167 CB TRP A 83 -12.526 6.323 -3.387 1.00 62.05 C ATOM 1168 CG TRP A 83 -13.607 6.929 -2.530 1.00 5.42 C ATOM 1169 CD1 TRP A 83 -14.090 6.521 -1.327 1.00 62.02 C ATOM 1170 CD2 TRP A 83 -14.309 8.117 -2.847 1.00 10.43 C ATOM 1171 NE1 TRP A 83 -15.084 7.353 -0.912 1.00 71.22 N ATOM 1172 CE2 TRP A 83 -15.231 8.348 -1.824 1.00 61.30 C ATOM 1173 CE3 TRP A 83 -14.253 9.003 -3.919 1.00 31.30 C ATOM 1174 CZ2 TRP A 83 -16.085 9.427 -1.838 1.00 22.31 C ATOM 1175 CZ3 TRP A 83 -15.097 10.072 -3.931 1.00 43.01 C ATOM 1176 CH2 TRP A 83 -16.002 10.279 -2.900 1.00 65.33 C ATOM 0 H TRP A 83 -12.080 5.336 -1.055 1.00 72.44 H new ATOM 0 HA TRP A 83 -12.827 4.190 -3.494 1.00 40.42 H new ATOM 0 HB2 TRP A 83 -11.649 6.966 -3.308 1.00 62.05 H new ATOM 0 HB3 TRP A 83 -12.865 6.372 -4.422 1.00 62.05 H new ATOM 0 HD1 TRP A 83 -13.736 5.660 -0.779 1.00 62.02 H new ATOM 0 HE1 TRP A 83 -15.629 7.246 -0.056 1.00 71.22 H new ATOM 0 HE3 TRP A 83 -13.553 8.846 -4.726 1.00 31.30 H new ATOM 0 HZ2 TRP A 83 -16.793 9.593 -1.040 1.00 22.31 H new ATOM 0 HZ3 TRP A 83 -15.061 10.769 -4.755 1.00 43.01 H new ATOM 0 HH2 TRP A 83 -16.657 11.136 -2.939 1.00 65.33 H new ATOM 1187 N ASN A 84 -9.675 5.140 -3.110 1.00 2.13 N ATOM 1188 CA ASN A 84 -8.288 5.087 -3.560 1.00 61.30 C ATOM 1189 C ASN A 84 -7.869 3.632 -3.787 1.00 3.13 C ATOM 1190 O ASN A 84 -7.404 3.262 -4.864 1.00 11.30 O ATOM 1191 CB ASN A 84 -7.404 5.731 -2.482 1.00 21.34 C ATOM 1192 CG ASN A 84 -5.945 5.906 -2.868 1.00 1.13 C ATOM 1193 OD1 ASN A 84 -5.599 6.093 -4.039 1.00 11.13 O ATOM 1194 ND2 ASN A 84 -5.089 5.883 -1.879 1.00 31.11 N ATOM 0 H ASN A 84 -9.780 5.551 -2.182 1.00 2.13 H new ATOM 0 HA ASN A 84 -8.178 5.627 -4.501 1.00 61.30 H new ATOM 0 HB2 ASN A 84 -7.817 6.708 -2.230 1.00 21.34 H new ATOM 0 HB3 ASN A 84 -7.455 5.121 -1.580 1.00 21.34 H new ATOM 0 HD21 ASN A 84 -4.095 6.023 -2.061 1.00 31.11 H new ATOM 0 HD22 ASN A 84 -5.415 5.726 -0.926 1.00 31.11 H new ATOM 1201 N GLN A 85 -8.100 2.802 -2.779 1.00 73.13 N ATOM 1202 CA GLN A 85 -7.749 1.387 -2.844 1.00 33.52 C ATOM 1203 C GLN A 85 -8.633 0.629 -3.826 1.00 21.41 C ATOM 1204 O GLN A 85 -8.214 -0.383 -4.384 1.00 62.10 O ATOM 1205 CB GLN A 85 -7.814 0.743 -1.464 1.00 13.24 C ATOM 1206 CG GLN A 85 -6.792 1.291 -0.486 1.00 34.25 C ATOM 1207 CD GLN A 85 -6.958 0.723 0.902 1.00 52.52 C ATOM 1208 OE1 GLN A 85 -6.384 -0.293 1.246 1.00 73.33 O ATOM 1209 NE2 GLN A 85 -7.749 1.379 1.705 1.00 21.02 N ATOM 0 H GLN A 85 -8.532 3.086 -1.900 1.00 73.13 H new ATOM 0 HA GLN A 85 -6.723 1.328 -3.207 1.00 33.52 H new ATOM 0 HB2 GLN A 85 -8.813 0.888 -1.052 1.00 13.24 H new ATOM 0 HB3 GLN A 85 -7.665 -0.332 -1.567 1.00 13.24 H new ATOM 0 HG2 GLN A 85 -5.789 1.066 -0.849 1.00 34.25 H new ATOM 0 HG3 GLN A 85 -6.880 2.377 -0.444 1.00 34.25 H new ATOM 0 HE21 GLN A 85 -8.214 2.228 1.382 1.00 21.02 H new ATOM 0 HE22 GLN A 85 -7.903 1.043 2.656 1.00 21.02 H new ATOM 1218 N LEU A 86 -9.851 1.113 -4.041 1.00 41.32 N ATOM 1219 CA LEU A 86 -10.761 0.498 -4.987 1.00 2.50 C ATOM 1220 C LEU A 86 -10.224 0.543 -6.398 1.00 33.00 C ATOM 1221 O LEU A 86 -10.434 -0.390 -7.148 1.00 44.33 O ATOM 1222 CB LEU A 86 -12.168 1.067 -4.902 1.00 73.42 C ATOM 1223 CG LEU A 86 -12.937 0.730 -3.618 1.00 3.52 C ATOM 1224 CD1 LEU A 86 -14.288 1.366 -3.642 1.00 13.32 C ATOM 1225 CD2 LEU A 86 -13.075 -0.776 -3.431 1.00 12.12 C ATOM 0 H LEU A 86 -10.228 1.934 -3.568 1.00 41.32 H new ATOM 0 HA LEU A 86 -10.834 -0.551 -4.701 1.00 2.50 H new ATOM 0 HB2 LEU A 86 -12.110 2.151 -4.996 1.00 73.42 H new ATOM 0 HB3 LEU A 86 -12.741 0.703 -5.755 1.00 73.42 H new ATOM 0 HG LEU A 86 -12.368 1.125 -2.776 1.00 3.52 H new ATOM 0 HD11 LEU A 86 -14.823 1.119 -2.725 1.00 13.32 H new ATOM 0 HD12 LEU A 86 -14.180 2.448 -3.718 1.00 13.32 H new ATOM 0 HD13 LEU A 86 -14.849 0.996 -4.500 1.00 13.32 H new ATOM 0 HD21 LEU A 86 -13.625 -0.980 -2.512 1.00 12.12 H new ATOM 0 HD22 LEU A 86 -13.614 -1.200 -4.278 1.00 12.12 H new ATOM 0 HD23 LEU A 86 -12.085 -1.227 -3.369 1.00 12.12 H new ATOM 1237 N MET A 87 -9.485 1.608 -6.749 1.00 31.54 N ATOM 1238 CA MET A 87 -8.831 1.658 -8.064 1.00 51.33 C ATOM 1239 C MET A 87 -7.882 0.479 -8.207 1.00 12.24 C ATOM 1240 O MET A 87 -7.963 -0.276 -9.177 1.00 61.02 O ATOM 1241 CB MET A 87 -8.052 2.964 -8.314 1.00 12.33 C ATOM 1242 CG MET A 87 -8.890 4.204 -8.596 1.00 23.01 C ATOM 1243 SD MET A 87 -7.844 5.625 -9.024 1.00 71.54 S ATOM 1244 CE MET A 87 -9.055 6.833 -9.537 1.00 34.52 C ATOM 0 H MET A 87 -9.329 2.425 -6.158 1.00 31.54 H new ATOM 0 HA MET A 87 -9.627 1.614 -8.807 1.00 51.33 H new ATOM 0 HB2 MET A 87 -7.428 3.163 -7.442 1.00 12.33 H new ATOM 0 HB3 MET A 87 -7.380 2.806 -9.157 1.00 12.33 H new ATOM 0 HG2 MET A 87 -9.582 4.000 -9.413 1.00 23.01 H new ATOM 0 HG3 MET A 87 -9.493 4.445 -7.721 1.00 23.01 H new ATOM 0 HE1 MET A 87 -8.563 7.625 -10.101 1.00 34.52 H new ATOM 0 HE2 MET A 87 -9.805 6.352 -10.165 1.00 34.52 H new ATOM 0 HE3 MET A 87 -9.538 7.260 -8.658 1.00 34.52 H new ATOM 1254 N LEU A 88 -7.049 0.290 -7.190 1.00 74.23 N ATOM 1255 CA LEU A 88 -6.064 -0.791 -7.152 1.00 10.12 C ATOM 1256 C LEU A 88 -6.724 -2.161 -7.116 1.00 60.04 C ATOM 1257 O LEU A 88 -6.212 -3.127 -7.673 1.00 34.33 O ATOM 1258 CB LEU A 88 -5.117 -0.647 -5.948 1.00 31.40 C ATOM 1259 CG LEU A 88 -3.998 0.365 -6.040 1.00 20.31 C ATOM 1260 CD1 LEU A 88 -4.498 1.791 -6.207 1.00 3.32 C ATOM 1261 CD2 LEU A 88 -3.111 0.250 -4.838 1.00 24.40 C ATOM 0 H LEU A 88 -7.036 0.885 -6.362 1.00 74.23 H new ATOM 0 HA LEU A 88 -5.484 -0.711 -8.072 1.00 10.12 H new ATOM 0 HB2 LEU A 88 -5.722 -0.397 -5.076 1.00 31.40 H new ATOM 0 HB3 LEU A 88 -4.670 -1.622 -5.757 1.00 31.40 H new ATOM 0 HG LEU A 88 -3.428 0.136 -6.940 1.00 20.31 H new ATOM 0 HD11 LEU A 88 -3.648 2.470 -6.267 1.00 3.32 H new ATOM 0 HD12 LEU A 88 -5.087 1.865 -7.121 1.00 3.32 H new ATOM 0 HD13 LEU A 88 -5.119 2.061 -5.353 1.00 3.32 H new ATOM 0 HD21 LEU A 88 -2.306 0.981 -4.909 1.00 24.40 H new ATOM 0 HD22 LEU A 88 -3.694 0.438 -3.936 1.00 24.40 H new ATOM 0 HD23 LEU A 88 -2.687 -0.753 -4.793 1.00 24.40 H new ATOM 1273 N SER A 89 -7.875 -2.226 -6.497 1.00 43.30 N ATOM 1274 CA SER A 89 -8.594 -3.469 -6.331 1.00 53.43 C ATOM 1275 C SER A 89 -9.444 -3.814 -7.563 1.00 71.02 C ATOM 1276 O SER A 89 -10.177 -4.818 -7.563 1.00 30.24 O ATOM 1277 CB SER A 89 -9.480 -3.377 -5.093 1.00 5.30 C ATOM 1278 OG SER A 89 -8.714 -3.048 -3.948 1.00 20.01 O ATOM 0 H SER A 89 -8.344 -1.416 -6.091 1.00 43.30 H new ATOM 0 HA SER A 89 -7.862 -4.268 -6.210 1.00 53.43 H new ATOM 0 HB2 SER A 89 -10.252 -2.623 -5.248 1.00 5.30 H new ATOM 0 HB3 SER A 89 -9.990 -4.327 -4.934 1.00 5.30 H new ATOM 0 HG SER A 89 -8.437 -2.109 -3.998 1.00 20.01 H new ATOM 1284 N ARG A 90 -9.388 -2.977 -8.587 1.00 70.30 N ATOM 1285 CA ARG A 90 -10.141 -3.228 -9.811 1.00 51.31 C ATOM 1286 C ARG A 90 -9.231 -3.018 -11.017 1.00 15.31 C ATOM 1287 O ARG A 90 -9.710 -2.899 -12.157 1.00 63.44 O ATOM 1288 CB ARG A 90 -11.342 -2.261 -9.942 1.00 53.23 C ATOM 1289 CG ARG A 90 -12.287 -2.178 -8.739 1.00 34.34 C ATOM 1290 CD ARG A 90 -12.961 -3.485 -8.404 1.00 53.30 C ATOM 1291 NE ARG A 90 -13.772 -3.351 -7.183 1.00 61.00 N ATOM 1292 CZ ARG A 90 -13.561 -4.011 -6.040 1.00 74.14 C ATOM 1293 NH1 ARG A 90 -12.526 -4.860 -5.923 1.00 33.24 N1+ ATOM 1294 NH2 ARG A 90 -14.361 -3.794 -5.008 1.00 72.55 N ATOM 0 H ARG A 90 -8.833 -2.121 -8.598 1.00 70.30 H new ATOM 0 HA ARG A 90 -10.510 -4.253 -9.771 1.00 51.31 H new ATOM 0 HB2 ARG A 90 -10.955 -1.262 -10.142 1.00 53.23 H new ATOM 0 HB3 ARG A 90 -11.925 -2.557 -10.814 1.00 53.23 H new ATOM 0 HG2 ARG A 90 -11.725 -1.836 -7.870 1.00 34.34 H new ATOM 0 HG3 ARG A 90 -13.051 -1.427 -8.940 1.00 34.34 H new ATOM 0 HD2 ARG A 90 -13.594 -3.798 -9.235 1.00 53.30 H new ATOM 0 HD3 ARG A 90 -12.210 -4.263 -8.265 1.00 53.30 H new ATOM 0 HE ARG A 90 -14.558 -2.702 -7.211 1.00 61.00 H new ATOM 0 HH11 ARG A 90 -11.894 -5.005 -6.710 1.00 33.24 H new ATOM 0 HH12 ARG A 90 -12.373 -5.359 -5.047 1.00 33.24 H new ATOM 0 HH21 ARG A 90 -15.130 -3.128 -5.090 1.00 72.55 H new ATOM 0 HH22 ARG A 90 -14.209 -4.292 -4.131 1.00 72.55 H new ATOM 1308 N SER A 91 -7.926 -2.963 -10.780 1.00 41.51 N ATOM 1309 CA SER A 91 -6.987 -2.691 -11.846 1.00 72.02 C ATOM 1310 C SER A 91 -5.674 -3.449 -11.653 1.00 45.23 C ATOM 1311 O SER A 91 -5.222 -3.642 -10.519 1.00 24.50 O ATOM 1312 CB SER A 91 -6.674 -1.191 -11.883 1.00 13.53 C ATOM 1313 OG SER A 91 -7.871 -0.420 -11.945 1.00 72.40 O ATOM 0 H SER A 91 -7.502 -3.103 -9.863 1.00 41.51 H new ATOM 0 HA SER A 91 -7.447 -3.018 -12.778 1.00 72.02 H new ATOM 0 HB2 SER A 91 -6.104 -0.913 -10.997 1.00 13.53 H new ATOM 0 HB3 SER A 91 -6.048 -0.968 -12.747 1.00 13.53 H new ATOM 0 HG SER A 91 -8.176 -0.216 -11.036 1.00 72.40 H new ATOM 1319 N PRO A 92 -5.081 -3.954 -12.743 1.00 71.13 N ATOM 1320 CA PRO A 92 -3.728 -4.455 -12.712 1.00 43.31 C ATOM 1321 C PRO A 92 -2.778 -3.284 -12.971 1.00 22.41 C ATOM 1322 O PRO A 92 -2.854 -2.637 -14.026 1.00 22.33 O ATOM 1323 CB PRO A 92 -3.677 -5.461 -13.883 1.00 55.41 C ATOM 1324 CG PRO A 92 -5.000 -5.351 -14.593 1.00 44.42 C ATOM 1325 CD PRO A 92 -5.680 -4.117 -14.069 1.00 64.32 C ATOM 0 HA PRO A 92 -3.445 -4.915 -11.765 1.00 43.31 H new ATOM 0 HB2 PRO A 92 -2.853 -5.230 -14.558 1.00 55.41 H new ATOM 0 HB3 PRO A 92 -3.515 -6.475 -13.518 1.00 55.41 H new ATOM 0 HG2 PRO A 92 -4.854 -5.282 -15.671 1.00 44.42 H new ATOM 0 HG3 PRO A 92 -5.611 -6.235 -14.409 1.00 44.42 H new ATOM 0 HD2 PRO A 92 -5.494 -3.252 -14.706 1.00 64.32 H new ATOM 0 HD3 PRO A 92 -6.761 -4.245 -14.011 1.00 64.32 H new ATOM 1333 N GLU A 93 -1.943 -2.996 -12.016 1.00 20.10 N ATOM 1334 CA GLU A 93 -1.030 -1.886 -12.083 1.00 51.22 C ATOM 1335 C GLU A 93 0.296 -2.380 -11.514 1.00 41.31 C ATOM 1336 O GLU A 93 0.406 -2.462 -10.258 1.00 73.54 O ATOM 1337 CB GLU A 93 -1.549 -0.727 -11.211 1.00 24.54 C ATOM 1338 CG GLU A 93 -2.982 -0.248 -11.479 1.00 20.32 C ATOM 1339 CD GLU A 93 -3.537 0.541 -10.302 1.00 72.33 C ATOM 1340 OE1 GLU A 93 -3.235 1.737 -10.166 1.00 20.42 O ATOM 1341 OE2 GLU A 93 -4.239 -0.052 -9.466 1.00 31.04 O1- ATOM 1342 OXT GLU A 93 1.178 -2.725 -12.290 1.00 39.10 O1- ATOM 0 H GLU A 93 -1.874 -3.534 -11.152 1.00 20.10 H new ATOM 0 HA GLU A 93 -0.924 -1.529 -13.108 1.00 51.22 H new ATOM 0 HB2 GLU A 93 -1.482 -1.031 -10.166 1.00 24.54 H new ATOM 0 HB3 GLU A 93 -0.877 0.122 -11.339 1.00 24.54 H new ATOM 0 HG2 GLU A 93 -2.997 0.374 -12.374 1.00 20.32 H new ATOM 0 HG3 GLU A 93 -3.623 -1.107 -11.677 1.00 20.32 H new TER 1349 GLU A 93