USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 43 THR OG1 : rot 87:sc= 0.0318 USER MOD Set 1.2: A 44 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -51:sc= 0.386 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -2.14! USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -77:sc= 0.0927 USER MOD Single : A 27 GLN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 35 SER OG : rot 34:sc= 0.422 USER MOD Single : A 47 MET CE :methyl -158:sc= -4.03! (180deg=-5.35!) USER MOD Single : A 57 CYS SG : rot 6:sc= -2.43! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.236 K(o=-0.24,f=-3.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.747 13.167 -19.451 1.00 0.00 N ATOM 2 CA GLY A 1 26.674 14.100 -19.740 1.00 0.00 C ATOM 3 C GLY A 1 26.595 15.225 -18.727 1.00 0.00 C ATOM 4 O GLY A 1 26.674 16.399 -19.087 1.00 0.00 O ATOM 0 H1 GLY A 1 27.759 12.417 -20.172 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.657 13.671 -19.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.595 12.743 -18.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.821 14.521 -20.735 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.725 13.564 -19.757 1.00 0.00 H new ATOM 8 N SER A 2 26.438 14.866 -17.457 1.00 0.00 N ATOM 9 CA SER A 2 26.344 15.854 -16.389 1.00 0.00 C ATOM 10 C SER A 2 27.376 15.579 -15.300 1.00 0.00 C ATOM 11 O SER A 2 27.098 14.877 -14.329 1.00 0.00 O ATOM 12 CB SER A 2 24.937 15.852 -15.786 1.00 0.00 C ATOM 13 OG SER A 2 24.865 16.706 -14.658 1.00 0.00 O ATOM 0 H SER A 2 26.373 13.898 -17.143 1.00 0.00 H new ATOM 0 HA SER A 2 26.547 16.835 -16.818 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.216 16.174 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.664 14.837 -15.496 1.00 0.00 H new ATOM 0 HG SER A 2 23.956 16.688 -14.292 1.00 0.00 H new ATOM 19 N SER A 3 28.570 16.138 -15.471 1.00 0.00 N ATOM 20 CA SER A 3 29.647 15.950 -14.506 1.00 0.00 C ATOM 21 C SER A 3 30.218 17.293 -14.062 1.00 0.00 C ATOM 22 O SER A 3 31.093 17.856 -14.718 1.00 0.00 O ATOM 23 CB SER A 3 30.756 15.086 -15.109 1.00 0.00 C ATOM 24 OG SER A 3 30.273 13.796 -15.444 1.00 0.00 O ATOM 0 H SER A 3 28.816 16.725 -16.268 1.00 0.00 H new ATOM 0 HA SER A 3 29.235 15.443 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.155 15.571 -16.000 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.578 14.997 -14.399 1.00 0.00 H new ATOM 0 HG SER A 3 31.001 13.264 -15.829 1.00 0.00 H new ATOM 30 N GLY A 4 29.716 17.801 -12.940 1.00 0.00 N ATOM 31 CA GLY A 4 30.187 19.073 -12.426 1.00 0.00 C ATOM 32 C GLY A 4 29.054 19.963 -11.953 1.00 0.00 C ATOM 33 O GLY A 4 28.110 20.225 -12.698 1.00 0.00 O ATOM 0 H GLY A 4 28.992 17.354 -12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.875 18.895 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.750 19.589 -13.203 1.00 0.00 H new ATOM 37 N SER A 5 29.147 20.428 -10.712 1.00 0.00 N ATOM 38 CA SER A 5 28.119 21.288 -10.139 1.00 0.00 C ATOM 39 C SER A 5 26.752 20.613 -10.195 1.00 0.00 C ATOM 40 O SER A 5 25.757 21.231 -10.575 1.00 0.00 O ATOM 41 CB SER A 5 28.071 22.625 -10.881 1.00 0.00 C ATOM 42 OG SER A 5 27.212 23.542 -10.226 1.00 0.00 O ATOM 0 H SER A 5 29.924 20.224 -10.084 1.00 0.00 H new ATOM 0 HA SER A 5 28.373 21.469 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.075 23.045 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.726 22.465 -11.903 1.00 0.00 H new ATOM 0 HG SER A 5 26.345 23.116 -10.059 1.00 0.00 H new ATOM 48 N SER A 6 26.711 19.341 -9.814 1.00 0.00 N ATOM 49 CA SER A 6 25.468 18.579 -9.825 1.00 0.00 C ATOM 50 C SER A 6 24.443 19.200 -8.881 1.00 0.00 C ATOM 51 O SER A 6 24.799 19.853 -7.901 1.00 0.00 O ATOM 52 CB SER A 6 25.732 17.126 -9.425 1.00 0.00 C ATOM 53 OG SER A 6 26.627 16.503 -10.329 1.00 0.00 O ATOM 0 H SER A 6 27.525 18.816 -9.494 1.00 0.00 H new ATOM 0 HA SER A 6 25.065 18.602 -10.838 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.146 17.092 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.792 16.575 -9.402 1.00 0.00 H new ATOM 0 HG SER A 6 26.781 15.576 -10.051 1.00 0.00 H new ATOM 59 N GLY A 7 23.165 18.991 -9.184 1.00 0.00 N ATOM 60 CA GLY A 7 22.106 19.536 -8.354 1.00 0.00 C ATOM 61 C GLY A 7 21.916 18.754 -7.070 1.00 0.00 C ATOM 62 O GLY A 7 22.878 18.240 -6.498 1.00 0.00 O ATOM 0 H GLY A 7 22.844 18.454 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.335 20.574 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.172 19.538 -8.916 1.00 0.00 H new ATOM 66 N THR A 8 20.671 18.666 -6.611 1.00 0.00 N ATOM 67 CA THR A 8 20.358 17.944 -5.384 1.00 0.00 C ATOM 68 C THR A 8 19.263 16.910 -5.619 1.00 0.00 C ATOM 69 O THR A 8 18.534 16.977 -6.609 1.00 0.00 O ATOM 70 CB THR A 8 19.911 18.905 -4.266 1.00 0.00 C ATOM 71 OG1 THR A 8 18.715 19.588 -4.657 1.00 0.00 O ATOM 72 CG2 THR A 8 21.002 19.918 -3.955 1.00 0.00 C ATOM 0 H THR A 8 19.863 19.086 -7.071 1.00 0.00 H new ATOM 0 HA THR A 8 21.271 17.437 -5.073 1.00 0.00 H new ATOM 0 HB THR A 8 19.716 18.318 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.436 20.196 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.663 20.586 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 8 21.902 19.396 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 8 21.224 20.500 -4.850 1.00 0.00 H new ATOM 80 N TYR A 9 19.152 15.955 -4.702 1.00 0.00 N ATOM 81 CA TYR A 9 18.145 14.906 -4.811 1.00 0.00 C ATOM 82 C TYR A 9 18.150 14.016 -3.571 1.00 0.00 C ATOM 83 O TYR A 9 19.201 13.759 -2.982 1.00 0.00 O ATOM 84 CB TYR A 9 18.393 14.059 -6.061 1.00 0.00 C ATOM 85 CG TYR A 9 19.711 13.319 -6.039 1.00 0.00 C ATOM 86 CD1 TYR A 9 19.911 12.241 -5.185 1.00 0.00 C ATOM 87 CD2 TYR A 9 20.758 13.698 -6.871 1.00 0.00 C ATOM 88 CE1 TYR A 9 21.114 11.562 -5.161 1.00 0.00 C ATOM 89 CE2 TYR A 9 21.963 13.024 -6.855 1.00 0.00 C ATOM 90 CZ TYR A 9 22.137 11.957 -5.998 1.00 0.00 C ATOM 91 OH TYR A 9 23.337 11.284 -5.978 1.00 0.00 O ATOM 0 H TYR A 9 19.746 15.886 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 9 17.168 15.382 -4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 9 17.583 13.338 -6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 9 18.363 14.704 -6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 9 19.112 11.929 -4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 9 20.627 14.534 -7.542 1.00 0.00 H new ATOM 0 HE1 TYR A 9 21.253 10.727 -4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 9 22.765 13.331 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 9 23.949 11.688 -6.628 1.00 0.00 H new ATOM 101 N ASP A 10 16.970 13.548 -3.182 1.00 0.00 N ATOM 102 CA ASP A 10 16.836 12.686 -2.014 1.00 0.00 C ATOM 103 C ASP A 10 17.870 11.565 -2.045 1.00 0.00 C ATOM 104 O ASP A 10 17.743 10.612 -2.814 1.00 0.00 O ATOM 105 CB ASP A 10 15.427 12.095 -1.948 1.00 0.00 C ATOM 106 CG ASP A 10 15.208 11.003 -2.977 1.00 0.00 C ATOM 107 OD1 ASP A 10 15.555 11.221 -4.157 1.00 0.00 O ATOM 108 OD2 ASP A 10 14.691 9.930 -2.603 1.00 0.00 O ATOM 0 H ASP A 10 16.091 13.751 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 10 17.009 13.292 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.252 11.691 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.696 12.888 -2.103 1.00 0.00 H new ATOM 113 N GLU A 11 18.894 11.687 -1.206 1.00 0.00 N ATOM 114 CA GLU A 11 19.951 10.684 -1.140 1.00 0.00 C ATOM 115 C GLU A 11 19.539 9.518 -0.246 1.00 0.00 C ATOM 116 O GLU A 11 20.358 8.965 0.489 1.00 0.00 O ATOM 117 CB GLU A 11 21.246 11.310 -0.617 1.00 0.00 C ATOM 118 CG GLU A 11 22.471 10.435 -0.823 1.00 0.00 C ATOM 119 CD GLU A 11 23.612 10.800 0.107 1.00 0.00 C ATOM 120 OE1 GLU A 11 23.438 10.676 1.337 1.00 0.00 O ATOM 121 OE2 GLU A 11 24.678 11.211 -0.397 1.00 0.00 O ATOM 0 H GLU A 11 19.014 12.470 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 11 20.121 10.304 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.405 12.266 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.134 11.520 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.198 9.392 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.807 10.524 -1.856 1.00 0.00 H new ATOM 128 N TYR A 12 18.265 9.149 -0.315 1.00 0.00 N ATOM 129 CA TYR A 12 17.742 8.051 0.489 1.00 0.00 C ATOM 130 C TYR A 12 16.765 7.202 -0.317 1.00 0.00 C ATOM 131 O TYR A 12 15.851 7.725 -0.954 1.00 0.00 O ATOM 132 CB TYR A 12 17.052 8.592 1.742 1.00 0.00 C ATOM 133 CG TYR A 12 16.510 7.511 2.650 1.00 0.00 C ATOM 134 CD1 TYR A 12 15.466 6.690 2.239 1.00 0.00 C ATOM 135 CD2 TYR A 12 17.042 7.309 3.917 1.00 0.00 C ATOM 136 CE1 TYR A 12 14.968 5.702 3.065 1.00 0.00 C ATOM 137 CE2 TYR A 12 16.550 6.322 4.750 1.00 0.00 C ATOM 138 CZ TYR A 12 15.513 5.521 4.319 1.00 0.00 C ATOM 139 OH TYR A 12 15.020 4.537 5.145 1.00 0.00 O ATOM 0 H TYR A 12 17.575 9.594 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 12 18.581 7.422 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 12 17.760 9.203 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 12 16.234 9.247 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 12 15.037 6.827 1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 12 17.854 7.934 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 12 14.156 5.074 2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 12 16.975 6.179 5.733 1.00 0.00 H new ATOM 0 HH TYR A 12 15.515 4.542 5.991 1.00 0.00 H new ATOM 149 N GLU A 13 16.965 5.888 -0.284 1.00 0.00 N ATOM 150 CA GLU A 13 16.101 4.966 -1.012 1.00 0.00 C ATOM 151 C GLU A 13 16.117 3.582 -0.369 1.00 0.00 C ATOM 152 O GLU A 13 16.779 3.366 0.645 1.00 0.00 O ATOM 153 CB GLU A 13 16.542 4.866 -2.474 1.00 0.00 C ATOM 154 CG GLU A 13 17.954 4.335 -2.649 1.00 0.00 C ATOM 155 CD GLU A 13 18.158 3.646 -3.984 1.00 0.00 C ATOM 156 OE1 GLU A 13 17.184 3.065 -4.507 1.00 0.00 O ATOM 157 OE2 GLU A 13 19.292 3.689 -4.506 1.00 0.00 O ATOM 0 H GLU A 13 17.717 5.439 0.239 1.00 0.00 H new ATOM 0 HA GLU A 13 15.083 5.354 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.850 4.217 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.474 5.852 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.662 5.159 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.176 3.634 -1.845 1.00 0.00 H new ATOM 164 N ASN A 14 15.382 2.650 -0.966 1.00 0.00 N ATOM 165 CA ASN A 14 15.311 1.287 -0.451 1.00 0.00 C ATOM 166 C ASN A 14 14.441 1.224 0.801 1.00 0.00 C ATOM 167 O ASN A 14 14.870 0.726 1.842 1.00 0.00 O ATOM 168 CB ASN A 14 16.714 0.763 -0.138 1.00 0.00 C ATOM 169 CG ASN A 14 16.771 -0.752 -0.104 1.00 0.00 C ATOM 170 OD1 ASN A 14 16.821 -1.358 0.967 1.00 0.00 O ATOM 171 ND2 ASN A 14 16.765 -1.371 -1.279 1.00 0.00 N ATOM 0 H ASN A 14 14.827 2.813 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 14 14.859 0.658 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 14 17.413 1.133 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 14 17.040 1.158 0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.803 -2.390 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.723 -0.828 -2.141 1.00 0.00 H new ATOM 178 N ASP A 15 13.218 1.730 0.692 1.00 0.00 N ATOM 179 CA ASP A 15 12.287 1.730 1.814 1.00 0.00 C ATOM 180 C ASP A 15 10.844 1.778 1.323 1.00 0.00 C ATOM 181 O ASP A 15 10.403 2.778 0.754 1.00 0.00 O ATOM 182 CB ASP A 15 12.565 2.919 2.735 1.00 0.00 C ATOM 183 CG ASP A 15 13.825 2.732 3.558 1.00 0.00 C ATOM 184 OD1 ASP A 15 14.921 3.035 3.041 1.00 0.00 O ATOM 185 OD2 ASP A 15 13.716 2.283 4.718 1.00 0.00 O ATOM 0 H ASP A 15 12.848 2.146 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 15 12.431 0.806 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.657 3.825 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.716 3.063 3.403 1.00 0.00 H new ATOM 190 N LEU A 16 10.112 0.692 1.545 1.00 0.00 N ATOM 191 CA LEU A 16 8.718 0.609 1.124 1.00 0.00 C ATOM 192 C LEU A 16 7.809 1.342 2.105 1.00 0.00 C ATOM 193 O LEU A 16 6.862 2.017 1.704 1.00 0.00 O ATOM 194 CB LEU A 16 8.287 -0.854 1.006 1.00 0.00 C ATOM 195 CG LEU A 16 9.055 -1.700 -0.010 1.00 0.00 C ATOM 196 CD1 LEU A 16 10.432 -2.058 0.526 1.00 0.00 C ATOM 197 CD2 LEU A 16 8.272 -2.959 -0.355 1.00 0.00 C ATOM 0 H LEU A 16 10.461 -0.144 2.014 1.00 0.00 H new ATOM 0 HA LEU A 16 8.629 1.087 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.385 -1.321 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.229 -0.880 0.745 1.00 0.00 H new ATOM 0 HG LEU A 16 9.183 -1.114 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.964 -2.660 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.994 -1.145 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.326 -2.626 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.833 -3.549 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.114 -3.548 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.308 -2.682 -0.781 1.00 0.00 H new ATOM 209 N GLY A 17 8.105 1.204 3.395 1.00 0.00 N ATOM 210 CA GLY A 17 7.306 1.861 4.413 1.00 0.00 C ATOM 211 C GLY A 17 6.095 1.042 4.817 1.00 0.00 C ATOM 212 O GLY A 17 6.181 -0.178 4.957 1.00 0.00 O ATOM 0 H GLY A 17 8.883 0.649 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.924 2.048 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.977 2.832 4.042 1.00 0.00 H new ATOM 216 N ILE A 18 4.965 1.715 5.005 1.00 0.00 N ATOM 217 CA ILE A 18 3.732 1.042 5.395 1.00 0.00 C ATOM 218 C ILE A 18 3.054 0.394 4.192 1.00 0.00 C ATOM 219 O ILE A 18 2.997 0.977 3.109 1.00 0.00 O ATOM 220 CB ILE A 18 2.745 2.018 6.063 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.378 2.646 7.306 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.453 1.299 6.425 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.853 4.031 7.616 1.00 0.00 C ATOM 0 H ILE A 18 4.878 2.725 4.894 1.00 0.00 H new ATOM 0 HA ILE A 18 4.008 0.269 6.113 1.00 0.00 H new ATOM 0 HB ILE A 18 2.509 2.814 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.198 1.997 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.458 2.698 7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.765 2.001 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.996 0.895 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.671 0.485 7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.345 4.415 8.509 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.057 4.694 6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.778 3.983 7.787 1.00 0.00 H new ATOM 235 N THR A 19 2.539 -0.815 4.390 1.00 0.00 N ATOM 236 CA THR A 19 1.865 -1.543 3.323 1.00 0.00 C ATOM 237 C THR A 19 0.485 -2.015 3.766 1.00 0.00 C ATOM 238 O THR A 19 0.224 -2.168 4.959 1.00 0.00 O ATOM 239 CB THR A 19 2.689 -2.761 2.865 1.00 0.00 C ATOM 240 OG1 THR A 19 2.828 -3.692 3.944 1.00 0.00 O ATOM 241 CG2 THR A 19 4.064 -2.332 2.378 1.00 0.00 C ATOM 0 H THR A 19 2.576 -1.311 5.281 1.00 0.00 H new ATOM 0 HA THR A 19 1.759 -0.851 2.487 1.00 0.00 H new ATOM 0 HB THR A 19 2.162 -3.239 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.352 -4.464 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.627 -3.209 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.955 -1.646 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.597 -1.832 3.187 1.00 0.00 H new ATOM 249 N ALA A 20 -0.397 -2.244 2.798 1.00 0.00 N ATOM 250 CA ALA A 20 -1.750 -2.701 3.089 1.00 0.00 C ATOM 251 C ALA A 20 -2.295 -3.560 1.953 1.00 0.00 C ATOM 252 O ALA A 20 -1.684 -3.662 0.889 1.00 0.00 O ATOM 253 CB ALA A 20 -2.666 -1.512 3.341 1.00 0.00 C ATOM 0 H ALA A 20 -0.198 -2.120 1.805 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.714 -3.315 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.673 -1.868 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.294 -0.939 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.688 -0.876 2.456 1.00 0.00 H new ATOM 259 N VAL A 21 -3.449 -4.178 2.186 1.00 0.00 N ATOM 260 CA VAL A 21 -4.077 -5.028 1.182 1.00 0.00 C ATOM 261 C VAL A 21 -5.514 -4.594 0.915 1.00 0.00 C ATOM 262 O VAL A 21 -6.334 -4.531 1.831 1.00 0.00 O ATOM 263 CB VAL A 21 -4.070 -6.506 1.614 1.00 0.00 C ATOM 264 CG1 VAL A 21 -5.076 -6.740 2.731 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.361 -7.410 0.426 1.00 0.00 C ATOM 0 H VAL A 21 -3.968 -4.106 3.061 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.493 -4.922 0.268 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.078 -6.751 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.057 -7.790 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.818 -6.120 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.075 -6.478 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.352 -8.451 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.341 -7.166 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.599 -7.262 -0.339 1.00 0.00 H new ATOM 275 N ALA A 22 -5.813 -4.297 -0.345 1.00 0.00 N ATOM 276 CA ALA A 22 -7.152 -3.872 -0.733 1.00 0.00 C ATOM 277 C ALA A 22 -8.183 -4.952 -0.422 1.00 0.00 C ATOM 278 O ALA A 22 -7.919 -6.143 -0.594 1.00 0.00 O ATOM 279 CB ALA A 22 -7.186 -3.517 -2.212 1.00 0.00 C ATOM 0 H ALA A 22 -5.146 -4.343 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.407 -2.985 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.192 -3.201 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.485 -2.706 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.905 -4.389 -2.802 1.00 0.00 H new ATOM 285 N LEU A 23 -9.356 -4.530 0.035 1.00 0.00 N ATOM 286 CA LEU A 23 -10.427 -5.462 0.371 1.00 0.00 C ATOM 287 C LEU A 23 -11.424 -5.582 -0.777 1.00 0.00 C ATOM 288 O LEU A 23 -11.891 -6.676 -1.096 1.00 0.00 O ATOM 289 CB LEU A 23 -11.147 -5.006 1.641 1.00 0.00 C ATOM 290 CG LEU A 23 -10.256 -4.709 2.848 1.00 0.00 C ATOM 291 CD1 LEU A 23 -11.043 -3.980 3.926 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.658 -5.995 3.399 1.00 0.00 C ATOM 0 H LEU A 23 -9.590 -3.548 0.182 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.982 -6.441 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.719 -4.108 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.864 -5.776 1.925 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.440 -4.063 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.393 -3.777 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.422 -3.039 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.879 -4.600 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.027 -5.764 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.460 -6.666 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.058 -6.477 2.627 1.00 0.00 H new ATOM 304 N TYR A 24 -11.744 -4.451 -1.397 1.00 0.00 N ATOM 305 CA TYR A 24 -12.685 -4.429 -2.510 1.00 0.00 C ATOM 306 C TYR A 24 -12.145 -3.589 -3.663 1.00 0.00 C ATOM 307 O TYR A 24 -11.336 -2.683 -3.461 1.00 0.00 O ATOM 308 CB TYR A 24 -14.036 -3.878 -2.051 1.00 0.00 C ATOM 309 CG TYR A 24 -14.482 -4.407 -0.707 1.00 0.00 C ATOM 310 CD1 TYR A 24 -14.011 -3.845 0.473 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.372 -5.470 -0.617 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.415 -4.326 1.704 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.782 -5.957 0.609 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.300 -5.382 1.767 1.00 0.00 C ATOM 315 OH TYR A 24 -15.705 -5.864 2.990 1.00 0.00 O ATOM 0 H TYR A 24 -11.365 -3.538 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.818 -5.452 -2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.978 -2.791 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.791 -4.124 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.317 -3.018 0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.750 -5.924 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.040 -3.877 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.476 -6.783 0.661 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.330 -6.608 2.858 1.00 0.00 H new ATOM 325 N ASP A 25 -12.600 -3.896 -4.873 1.00 0.00 N ATOM 326 CA ASP A 25 -12.166 -3.169 -6.060 1.00 0.00 C ATOM 327 C ASP A 25 -12.501 -1.685 -5.943 1.00 0.00 C ATOM 328 O ASP A 25 -13.561 -1.317 -5.435 1.00 0.00 O ATOM 329 CB ASP A 25 -12.821 -3.755 -7.312 1.00 0.00 C ATOM 330 CG ASP A 25 -14.327 -3.870 -7.177 1.00 0.00 C ATOM 331 OD1 ASP A 25 -14.921 -3.053 -6.442 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.912 -4.778 -7.804 1.00 0.00 O ATOM 0 H ASP A 25 -13.269 -4.643 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.084 -3.273 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.583 -3.127 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.401 -4.741 -7.511 1.00 0.00 H new ATOM 337 N TYR A 26 -11.592 -0.839 -6.414 1.00 0.00 N ATOM 338 CA TYR A 26 -11.790 0.604 -6.358 1.00 0.00 C ATOM 339 C TYR A 26 -11.242 1.278 -7.612 1.00 0.00 C ATOM 340 O TYR A 26 -10.077 1.099 -7.967 1.00 0.00 O ATOM 341 CB TYR A 26 -11.112 1.185 -5.116 1.00 0.00 C ATOM 342 CG TYR A 26 -11.669 2.526 -4.694 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.304 3.692 -5.356 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.561 2.628 -3.634 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.809 4.919 -4.974 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.073 3.851 -3.245 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.693 4.994 -3.918 1.00 0.00 C ATOM 348 OH TYR A 26 -13.200 6.214 -3.535 1.00 0.00 O ATOM 0 H TYR A 26 -10.711 -1.128 -6.839 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.861 0.796 -6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.219 0.481 -4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.044 1.289 -5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.613 3.637 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.860 1.735 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.513 5.815 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.766 3.912 -2.419 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.525 6.701 -3.018 1.00 0.00 H new ATOM 358 N GLN A 27 -12.091 2.054 -8.278 1.00 0.00 N ATOM 359 CA GLN A 27 -11.693 2.755 -9.493 1.00 0.00 C ATOM 360 C GLN A 27 -11.791 4.265 -9.307 1.00 0.00 C ATOM 361 O GLN A 27 -12.864 4.850 -9.454 1.00 0.00 O ATOM 362 CB GLN A 27 -12.565 2.316 -10.670 1.00 0.00 C ATOM 363 CG GLN A 27 -14.055 2.492 -10.422 1.00 0.00 C ATOM 364 CD GLN A 27 -14.894 1.464 -11.154 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.654 1.799 -12.063 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.761 0.202 -10.761 1.00 0.00 N ATOM 0 H GLN A 27 -13.058 2.213 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.655 2.500 -9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.282 2.888 -11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.363 1.268 -10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.252 2.421 -9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.356 3.491 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.119 -0.031 -10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.301 -0.534 -11.217 1.00 0.00 H new ATOM 375 N ALA A 28 -10.665 4.892 -8.983 1.00 0.00 N ATOM 376 CA ALA A 28 -10.625 6.334 -8.778 1.00 0.00 C ATOM 377 C ALA A 28 -11.582 7.050 -9.726 1.00 0.00 C ATOM 378 O ALA A 28 -11.745 6.649 -10.877 1.00 0.00 O ATOM 379 CB ALA A 28 -9.207 6.854 -8.965 1.00 0.00 C ATOM 0 H ALA A 28 -9.768 4.423 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.945 6.540 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.191 7.933 -8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.545 6.374 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.867 6.629 -9.976 1.00 0.00 H new ATOM 385 N ALA A 29 -12.212 8.111 -9.232 1.00 0.00 N ATOM 386 CA ALA A 29 -13.152 8.883 -10.036 1.00 0.00 C ATOM 387 C ALA A 29 -12.423 9.899 -10.908 1.00 0.00 C ATOM 388 O ALA A 29 -12.790 10.118 -12.061 1.00 0.00 O ATOM 389 CB ALA A 29 -14.162 9.582 -9.139 1.00 0.00 C ATOM 0 H ALA A 29 -12.089 8.455 -8.280 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.682 8.194 -10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.858 10.155 -9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.713 8.838 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.640 10.254 -8.458 1.00 0.00 H new ATOM 395 N GLY A 30 -11.388 10.519 -10.348 1.00 0.00 N ATOM 396 CA GLY A 30 -10.625 11.506 -11.089 1.00 0.00 C ATOM 397 C GLY A 30 -9.170 11.113 -11.249 1.00 0.00 C ATOM 398 O GLY A 30 -8.831 9.930 -11.206 1.00 0.00 O ATOM 0 H GLY A 30 -11.065 10.355 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.072 11.642 -12.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.685 12.466 -10.577 1.00 0.00 H new ATOM 402 N ASP A 31 -8.307 12.106 -11.436 1.00 0.00 N ATOM 403 CA ASP A 31 -6.880 11.858 -11.604 1.00 0.00 C ATOM 404 C ASP A 31 -6.189 11.723 -10.251 1.00 0.00 C ATOM 405 O ASP A 31 -5.338 10.854 -10.061 1.00 0.00 O ATOM 406 CB ASP A 31 -6.236 12.987 -12.409 1.00 0.00 C ATOM 407 CG ASP A 31 -7.047 13.360 -13.634 1.00 0.00 C ATOM 408 OD1 ASP A 31 -8.123 13.974 -13.470 1.00 0.00 O ATOM 409 OD2 ASP A 31 -6.607 13.039 -14.758 1.00 0.00 O ATOM 0 H ASP A 31 -8.571 13.090 -11.475 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.761 10.921 -12.148 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.121 13.864 -11.772 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.235 12.684 -12.718 1.00 0.00 H new ATOM 414 N ASP A 32 -6.560 12.588 -9.314 1.00 0.00 N ATOM 415 CA ASP A 32 -5.976 12.566 -7.978 1.00 0.00 C ATOM 416 C ASP A 32 -6.097 11.179 -7.354 1.00 0.00 C ATOM 417 O ASP A 32 -5.120 10.628 -6.850 1.00 0.00 O ATOM 418 CB ASP A 32 -6.658 13.603 -7.083 1.00 0.00 C ATOM 419 CG ASP A 32 -6.205 15.017 -7.387 1.00 0.00 C ATOM 420 OD1 ASP A 32 -6.296 15.430 -8.562 1.00 0.00 O ATOM 421 OD2 ASP A 32 -5.761 15.712 -6.449 1.00 0.00 O ATOM 0 H ASP A 32 -7.263 13.314 -9.455 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.918 12.813 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.738 13.535 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.446 13.373 -6.039 1.00 0.00 H new ATOM 426 N GLU A 33 -7.304 10.622 -7.392 1.00 0.00 N ATOM 427 CA GLU A 33 -7.552 9.300 -6.829 1.00 0.00 C ATOM 428 C GLU A 33 -6.897 8.215 -7.678 1.00 0.00 C ATOM 429 O GLU A 33 -6.664 8.404 -8.873 1.00 0.00 O ATOM 430 CB GLU A 33 -9.057 9.042 -6.723 1.00 0.00 C ATOM 431 CG GLU A 33 -9.731 9.820 -5.605 1.00 0.00 C ATOM 432 CD GLU A 33 -11.244 9.768 -5.689 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.800 8.649 -5.678 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.872 10.844 -5.764 1.00 0.00 O ATOM 0 H GLU A 33 -8.124 11.065 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.114 9.269 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.529 9.301 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.224 7.977 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.410 9.419 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.404 10.859 -5.642 1.00 0.00 H new ATOM 441 N ILE A 34 -6.602 7.080 -7.053 1.00 0.00 N ATOM 442 CA ILE A 34 -5.975 5.965 -7.751 1.00 0.00 C ATOM 443 C ILE A 34 -6.875 4.735 -7.742 1.00 0.00 C ATOM 444 O ILE A 34 -7.642 4.521 -6.804 1.00 0.00 O ATOM 445 CB ILE A 34 -4.618 5.599 -7.122 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.788 5.292 -5.633 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.618 6.729 -7.324 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.593 4.596 -5.019 1.00 0.00 C ATOM 0 H ILE A 34 -6.787 6.909 -6.065 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.814 6.287 -8.780 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.234 4.707 -7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.971 6.223 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.671 4.668 -5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.664 6.455 -6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.479 6.905 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.994 7.637 -6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.784 4.410 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.422 3.648 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.711 5.228 -5.122 1.00 0.00 H new ATOM 460 N SER A 35 -6.775 3.927 -8.793 1.00 0.00 N ATOM 461 CA SER A 35 -7.581 2.718 -8.908 1.00 0.00 C ATOM 462 C SER A 35 -6.716 1.471 -8.752 1.00 0.00 C ATOM 463 O SER A 35 -5.767 1.261 -9.507 1.00 0.00 O ATOM 464 CB SER A 35 -8.302 2.686 -10.257 1.00 0.00 C ATOM 465 OG SER A 35 -7.377 2.694 -11.330 1.00 0.00 O ATOM 0 H SER A 35 -6.143 4.088 -9.577 1.00 0.00 H new ATOM 0 HA SER A 35 -8.322 2.728 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.927 1.795 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.966 3.547 -10.339 1.00 0.00 H new ATOM 0 HG SER A 35 -6.572 2.198 -11.072 1.00 0.00 H new ATOM 471 N PHE A 36 -7.051 0.645 -7.765 1.00 0.00 N ATOM 472 CA PHE A 36 -6.306 -0.581 -7.508 1.00 0.00 C ATOM 473 C PHE A 36 -7.248 -1.774 -7.383 1.00 0.00 C ATOM 474 O PHE A 36 -8.361 -1.650 -6.872 1.00 0.00 O ATOM 475 CB PHE A 36 -5.473 -0.438 -6.232 1.00 0.00 C ATOM 476 CG PHE A 36 -6.143 0.383 -5.168 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.309 -0.058 -4.565 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.606 1.597 -4.771 1.00 0.00 C ATOM 479 CE1 PHE A 36 -7.928 0.696 -3.586 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.220 2.356 -3.792 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.382 1.904 -3.198 1.00 0.00 C ATOM 0 H PHE A 36 -7.834 0.803 -7.131 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.639 -0.755 -8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.260 -1.430 -5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.515 0.018 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.740 -1.002 -4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.697 1.955 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.838 0.341 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.792 3.301 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.863 2.494 -2.432 1.00 0.00 H new ATOM 491 N ASP A 37 -6.794 -2.931 -7.854 1.00 0.00 N ATOM 492 CA ASP A 37 -7.595 -4.148 -7.795 1.00 0.00 C ATOM 493 C ASP A 37 -7.694 -4.664 -6.363 1.00 0.00 C ATOM 494 O ASP A 37 -6.848 -4.381 -5.515 1.00 0.00 O ATOM 495 CB ASP A 37 -6.992 -5.225 -8.699 1.00 0.00 C ATOM 496 CG ASP A 37 -7.200 -4.929 -10.171 1.00 0.00 C ATOM 497 OD1 ASP A 37 -8.028 -4.050 -10.487 1.00 0.00 O ATOM 498 OD2 ASP A 37 -6.535 -5.576 -11.006 1.00 0.00 O ATOM 0 H ASP A 37 -5.875 -3.051 -8.281 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.599 -3.911 -8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.924 -5.310 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.440 -6.189 -8.459 1.00 0.00 H new ATOM 503 N PRO A 38 -8.753 -5.440 -6.086 1.00 0.00 N ATOM 504 CA PRO A 38 -8.988 -6.012 -4.757 1.00 0.00 C ATOM 505 C PRO A 38 -7.977 -7.098 -4.405 1.00 0.00 C ATOM 506 O PRO A 38 -7.626 -7.928 -5.244 1.00 0.00 O ATOM 507 CB PRO A 38 -10.394 -6.608 -4.871 1.00 0.00 C ATOM 508 CG PRO A 38 -10.569 -6.889 -6.323 1.00 0.00 C ATOM 509 CD PRO A 38 -9.801 -5.819 -7.048 1.00 0.00 C ATOM 0 HA PRO A 38 -8.888 -5.265 -3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.488 -7.517 -4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.150 -5.911 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.192 -7.880 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.623 -6.868 -6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.375 -6.191 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.437 -4.972 -7.304 1.00 0.00 H new ATOM 517 N ASP A 39 -7.512 -7.086 -3.161 1.00 0.00 N ATOM 518 CA ASP A 39 -6.541 -8.071 -2.698 1.00 0.00 C ATOM 519 C ASP A 39 -5.152 -7.767 -3.251 1.00 0.00 C ATOM 520 O ASP A 39 -4.325 -8.665 -3.406 1.00 0.00 O ATOM 521 CB ASP A 39 -6.972 -9.478 -3.115 1.00 0.00 C ATOM 522 CG ASP A 39 -6.277 -10.559 -2.310 1.00 0.00 C ATOM 523 OD1 ASP A 39 -6.339 -10.503 -1.064 1.00 0.00 O ATOM 524 OD2 ASP A 39 -5.673 -11.461 -2.926 1.00 0.00 O ATOM 0 H ASP A 39 -7.792 -6.405 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.499 -8.019 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.051 -9.575 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.756 -9.622 -4.174 1.00 0.00 H new ATOM 529 N ASP A 40 -4.905 -6.496 -3.547 1.00 0.00 N ATOM 530 CA ASP A 40 -3.616 -6.073 -4.082 1.00 0.00 C ATOM 531 C ASP A 40 -2.692 -5.599 -2.965 1.00 0.00 C ATOM 532 O ASP A 40 -3.089 -5.542 -1.800 1.00 0.00 O ATOM 533 CB ASP A 40 -3.808 -4.957 -5.110 1.00 0.00 C ATOM 534 CG ASP A 40 -3.986 -5.490 -6.518 1.00 0.00 C ATOM 535 OD1 ASP A 40 -4.004 -6.728 -6.686 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.106 -4.670 -7.452 1.00 0.00 O ATOM 0 H ASP A 40 -5.580 -5.741 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.154 -6.931 -4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.680 -4.362 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.946 -4.290 -5.083 1.00 0.00 H new ATOM 541 N ILE A 41 -1.459 -5.260 -3.327 1.00 0.00 N ATOM 542 CA ILE A 41 -0.480 -4.791 -2.355 1.00 0.00 C ATOM 543 C ILE A 41 -0.027 -3.370 -2.673 1.00 0.00 C ATOM 544 O ILE A 41 0.333 -3.062 -3.809 1.00 0.00 O ATOM 545 CB ILE A 41 0.753 -5.712 -2.308 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.325 -7.161 -2.063 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.720 -5.250 -1.228 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.386 -7.365 -0.743 1.00 0.00 C ATOM 0 H ILE A 41 -1.115 -5.302 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.971 -4.805 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 41 1.263 -5.661 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.331 -7.480 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.206 -7.802 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.586 -5.912 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.046 -4.232 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.222 -5.275 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.660 -8.414 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.275 -7.078 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.286 -6.750 -0.715 1.00 0.00 H new ATOM 560 N ILE A 42 -0.045 -2.508 -1.661 1.00 0.00 N ATOM 561 CA ILE A 42 0.366 -1.121 -1.832 1.00 0.00 C ATOM 562 C ILE A 42 1.555 -0.786 -0.938 1.00 0.00 C ATOM 563 O ILE A 42 1.599 -1.177 0.229 1.00 0.00 O ATOM 564 CB ILE A 42 -0.787 -0.149 -1.520 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.972 -0.413 -2.451 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.315 1.292 -1.650 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.968 -1.406 -1.895 1.00 0.00 C ATOM 0 H ILE A 42 -0.340 -2.747 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 42 0.655 -1.004 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.113 -0.313 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.483 0.529 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.598 -0.782 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.141 1.967 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.501 1.472 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.034 1.470 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.781 -1.544 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.472 -2.361 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.370 -1.030 -0.954 1.00 0.00 H new ATOM 579 N THR A 43 2.519 -0.057 -1.492 1.00 0.00 N ATOM 580 CA THR A 43 3.708 0.333 -0.744 1.00 0.00 C ATOM 581 C THR A 43 3.781 1.846 -0.576 1.00 0.00 C ATOM 582 O THR A 43 3.043 2.588 -1.223 1.00 0.00 O ATOM 583 CB THR A 43 4.993 -0.158 -1.438 1.00 0.00 C ATOM 584 OG1 THR A 43 5.153 0.503 -2.698 1.00 0.00 O ATOM 585 CG2 THR A 43 4.951 -1.664 -1.652 1.00 0.00 C ATOM 0 H THR A 43 2.500 0.275 -2.456 1.00 0.00 H new ATOM 0 HA THR A 43 3.632 -0.135 0.238 1.00 0.00 H new ATOM 0 HB THR A 43 5.840 0.078 -0.794 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.632 1.348 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.869 -1.987 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.859 -2.166 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.095 -1.919 -2.277 1.00 0.00 H new ATOM 593 N ASN A 44 4.677 2.297 0.296 1.00 0.00 N ATOM 594 CA ASN A 44 4.846 3.723 0.549 1.00 0.00 C ATOM 595 C ASN A 44 3.513 4.375 0.907 1.00 0.00 C ATOM 596 O ASN A 44 3.146 5.408 0.347 1.00 0.00 O ATOM 597 CB ASN A 44 5.450 4.412 -0.677 1.00 0.00 C ATOM 598 CG ASN A 44 6.675 3.688 -1.202 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.752 3.351 -2.383 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.640 3.446 -0.323 1.00 0.00 N ATOM 0 H ASN A 44 5.297 1.696 0.839 1.00 0.00 H new ATOM 0 HA ASN A 44 5.525 3.838 1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.699 4.469 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.719 5.436 -0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.488 2.962 -0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.533 3.744 0.647 1.00 0.00 H new ATOM 607 N ILE A 45 2.795 3.764 1.843 1.00 0.00 N ATOM 608 CA ILE A 45 1.505 4.285 2.277 1.00 0.00 C ATOM 609 C ILE A 45 1.680 5.484 3.202 1.00 0.00 C ATOM 610 O ILE A 45 2.174 5.350 4.321 1.00 0.00 O ATOM 611 CB ILE A 45 0.678 3.207 3.002 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.241 2.120 2.018 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.532 3.834 3.679 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.305 0.880 2.691 1.00 0.00 C ATOM 0 H ILE A 45 3.085 2.908 2.315 1.00 0.00 H new ATOM 0 HA ILE A 45 0.972 4.597 1.379 1.00 0.00 H new ATOM 0 HB ILE A 45 1.301 2.747 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.520 2.528 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.091 1.841 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.107 3.060 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.199 4.575 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.158 4.318 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.595 0.152 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.461 0.448 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.175 1.145 3.291 1.00 0.00 H new ATOM 626 N GLU A 46 1.268 6.656 2.727 1.00 0.00 N ATOM 627 CA GLU A 46 1.378 7.879 3.513 1.00 0.00 C ATOM 628 C GLU A 46 0.004 8.352 3.979 1.00 0.00 C ATOM 629 O GLU A 46 -0.730 8.994 3.229 1.00 0.00 O ATOM 630 CB GLU A 46 2.057 8.979 2.693 1.00 0.00 C ATOM 631 CG GLU A 46 3.567 9.016 2.857 1.00 0.00 C ATOM 632 CD GLU A 46 4.270 7.956 2.031 1.00 0.00 C ATOM 633 OE1 GLU A 46 4.389 8.143 0.802 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.700 6.939 2.614 1.00 0.00 O ATOM 0 H GLU A 46 0.856 6.784 1.803 1.00 0.00 H new ATOM 0 HA GLU A 46 1.986 7.662 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.818 8.835 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.645 9.945 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.936 10.000 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.818 8.877 3.909 1.00 0.00 H new ATOM 641 N MET A 47 -0.336 8.028 5.223 1.00 0.00 N ATOM 642 CA MET A 47 -1.621 8.420 5.790 1.00 0.00 C ATOM 643 C MET A 47 -1.777 9.937 5.784 1.00 0.00 C ATOM 644 O MET A 47 -1.218 10.631 6.634 1.00 0.00 O ATOM 645 CB MET A 47 -1.757 7.886 7.217 1.00 0.00 C ATOM 646 CG MET A 47 -1.643 6.373 7.314 1.00 0.00 C ATOM 647 SD MET A 47 0.049 5.821 7.603 1.00 0.00 S ATOM 648 CE MET A 47 -0.240 4.327 8.549 1.00 0.00 C ATOM 0 H MET A 47 0.260 7.496 5.857 1.00 0.00 H new ATOM 0 HA MET A 47 -2.410 7.989 5.173 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.988 8.341 7.841 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.720 8.196 7.622 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.281 6.016 8.123 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.015 5.925 6.393 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.652 4.084 9.126 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.079 4.482 9.227 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.469 3.505 7.870 1.00 0.00 H new ATOM 658 N ILE A 48 -2.541 10.445 4.823 1.00 0.00 N ATOM 659 CA ILE A 48 -2.771 11.880 4.709 1.00 0.00 C ATOM 660 C ILE A 48 -3.760 12.364 5.764 1.00 0.00 C ATOM 661 O ILE A 48 -3.423 13.189 6.614 1.00 0.00 O ATOM 662 CB ILE A 48 -3.302 12.256 3.313 1.00 0.00 C ATOM 663 CG1 ILE A 48 -2.312 11.817 2.232 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.557 13.753 3.229 1.00 0.00 C ATOM 665 CD1 ILE A 48 -0.918 12.371 2.428 1.00 0.00 C ATOM 0 H ILE A 48 -3.011 9.884 4.112 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.809 12.367 4.866 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.246 11.737 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.263 10.728 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.686 12.133 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.932 14.003 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.295 14.039 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.627 14.291 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.270 12.019 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.954 13.460 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.524 12.034 3.387 1.00 0.00 H new ATOM 677 N ASP A 49 -4.981 11.844 5.705 1.00 0.00 N ATOM 678 CA ASP A 49 -6.019 12.220 6.658 1.00 0.00 C ATOM 679 C ASP A 49 -6.540 10.996 7.404 1.00 0.00 C ATOM 680 O ASP A 49 -6.022 9.891 7.244 1.00 0.00 O ATOM 681 CB ASP A 49 -7.171 12.923 5.938 1.00 0.00 C ATOM 682 CG ASP A 49 -6.781 14.295 5.423 1.00 0.00 C ATOM 683 OD1 ASP A 49 -5.811 14.875 5.956 1.00 0.00 O ATOM 684 OD2 ASP A 49 -7.444 14.788 4.487 1.00 0.00 O ATOM 0 H ASP A 49 -5.276 11.161 5.007 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.582 12.906 7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.504 12.306 5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.016 13.021 6.620 1.00 0.00 H new ATOM 689 N ASP A 50 -7.568 11.202 8.221 1.00 0.00 N ATOM 690 CA ASP A 50 -8.160 10.116 8.993 1.00 0.00 C ATOM 691 C ASP A 50 -9.227 9.390 8.180 1.00 0.00 C ATOM 692 O ASP A 50 -10.228 8.925 8.725 1.00 0.00 O ATOM 693 CB ASP A 50 -8.767 10.655 10.290 1.00 0.00 C ATOM 694 CG ASP A 50 -7.766 10.686 11.428 1.00 0.00 C ATOM 695 OD1 ASP A 50 -6.905 11.589 11.436 1.00 0.00 O ATOM 696 OD2 ASP A 50 -7.845 9.806 12.312 1.00 0.00 O ATOM 0 H ASP A 50 -8.008 12.111 8.365 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.371 9.406 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.149 11.661 10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.617 10.036 10.575 1.00 0.00 H new ATOM 701 N GLY A 51 -9.007 9.298 6.872 1.00 0.00 N ATOM 702 CA GLY A 51 -9.960 8.630 6.005 1.00 0.00 C ATOM 703 C GLY A 51 -9.386 8.332 4.634 1.00 0.00 C ATOM 704 O GLY A 51 -9.735 7.329 4.012 1.00 0.00 O ATOM 0 H GLY A 51 -8.186 9.674 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.280 7.699 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.847 9.254 5.896 1.00 0.00 H new ATOM 708 N TRP A 52 -8.505 9.206 4.161 1.00 0.00 N ATOM 709 CA TRP A 52 -7.883 9.033 2.853 1.00 0.00 C ATOM 710 C TRP A 52 -6.363 9.013 2.972 1.00 0.00 C ATOM 711 O TRP A 52 -5.771 9.870 3.629 1.00 0.00 O ATOM 712 CB TRP A 52 -8.318 10.152 1.906 1.00 0.00 C ATOM 713 CG TRP A 52 -9.776 10.104 1.561 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.818 10.498 2.350 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.352 9.634 0.337 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.008 10.301 1.691 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.749 9.773 0.454 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.824 9.112 -0.847 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.621 9.407 -0.568 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.690 8.749 -1.860 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.076 8.898 -1.716 1.00 0.00 C ATOM 0 H TRP A 52 -8.205 10.042 4.663 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.210 8.076 2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.092 11.115 2.364 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.733 10.090 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.721 10.905 3.346 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -12.934 10.514 2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.757 8.994 -0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.689 9.521 -0.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.292 8.343 -2.779 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.727 8.606 -2.527 1.00 0.00 H new ATOM 732 N TRP A 53 -5.737 8.031 2.333 1.00 0.00 N ATOM 733 CA TRP A 53 -4.285 7.901 2.367 1.00 0.00 C ATOM 734 C TRP A 53 -3.694 8.025 0.967 1.00 0.00 C ATOM 735 O TRP A 53 -4.414 7.953 -0.029 1.00 0.00 O ATOM 736 CB TRP A 53 -3.887 6.560 2.986 1.00 0.00 C ATOM 737 CG TRP A 53 -4.279 6.430 4.426 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.670 7.437 5.263 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.316 5.226 5.200 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.948 6.930 6.510 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.739 5.577 6.497 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.034 3.886 4.922 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -4.886 4.634 7.511 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -4.180 2.952 5.930 1.00 0.00 C ATOM 745 CH2 TRP A 53 -4.603 3.329 7.212 1.00 0.00 C ATOM 0 H TRP A 53 -6.212 7.314 1.785 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.887 8.709 2.981 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.350 5.754 2.417 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.808 6.434 2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.749 8.478 4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.260 7.474 7.315 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.708 3.586 3.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.212 4.923 8.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.964 1.914 5.726 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.708 2.575 7.978 1.00 0.00 H new ATOM 756 N ARG A 54 -2.379 8.210 0.898 1.00 0.00 N ATOM 757 CA ARG A 54 -1.693 8.345 -0.381 1.00 0.00 C ATOM 758 C ARG A 54 -0.524 7.368 -0.475 1.00 0.00 C ATOM 759 O ARG A 54 0.447 7.471 0.272 1.00 0.00 O ATOM 760 CB ARG A 54 -1.190 9.777 -0.566 1.00 0.00 C ATOM 761 CG ARG A 54 -2.262 10.742 -1.043 1.00 0.00 C ATOM 762 CD ARG A 54 -1.783 12.184 -0.979 1.00 0.00 C ATOM 763 NE ARG A 54 -2.884 13.118 -0.756 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.724 14.433 -0.661 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.516 14.967 -0.770 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.775 15.217 -0.458 1.00 0.00 N ATOM 0 H ARG A 54 -1.768 8.270 1.713 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.405 8.113 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.785 10.136 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.370 9.775 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.544 10.497 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.156 10.627 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.052 12.288 -0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.275 12.439 -1.909 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.827 12.739 -0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.706 14.368 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.396 15.977 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.706 14.810 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.651 16.227 -0.385 1.00 0.00 H new ATOM 780 N GLY A 55 -0.627 6.418 -1.401 1.00 0.00 N ATOM 781 CA GLY A 55 0.427 5.436 -1.576 1.00 0.00 C ATOM 782 C GLY A 55 0.687 5.119 -3.035 1.00 0.00 C ATOM 783 O GLY A 55 -0.101 5.483 -3.907 1.00 0.00 O ATOM 0 H GLY A 55 -1.421 6.312 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.344 5.807 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.157 4.520 -1.051 1.00 0.00 H new ATOM 787 N VAL A 56 1.798 4.439 -3.303 1.00 0.00 N ATOM 788 CA VAL A 56 2.160 4.073 -4.667 1.00 0.00 C ATOM 789 C VAL A 56 1.639 2.684 -5.020 1.00 0.00 C ATOM 790 O VAL A 56 2.183 1.674 -4.573 1.00 0.00 O ATOM 791 CB VAL A 56 3.687 4.103 -4.869 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.044 3.715 -6.295 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.242 5.477 -4.526 1.00 0.00 C ATOM 0 H VAL A 56 2.463 4.131 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 56 1.699 4.809 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 56 4.140 3.375 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.127 3.742 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.680 2.708 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.582 4.416 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.322 5.481 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.785 6.226 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.018 5.710 -3.485 1.00 0.00 H new ATOM 803 N CYS A 57 0.583 2.642 -5.825 1.00 0.00 N ATOM 804 CA CYS A 57 -0.013 1.377 -6.239 1.00 0.00 C ATOM 805 C CYS A 57 0.121 1.181 -7.745 1.00 0.00 C ATOM 806 O CYS A 57 -0.125 2.100 -8.527 1.00 0.00 O ATOM 807 CB CYS A 57 -1.487 1.327 -5.835 1.00 0.00 C ATOM 808 SG CYS A 57 -2.616 2.003 -7.075 1.00 0.00 S ATOM 0 H CYS A 57 0.122 3.469 -6.204 1.00 0.00 H new ATOM 0 HA CYS A 57 0.521 0.570 -5.737 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.763 0.292 -5.634 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.616 1.878 -4.903 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.952 2.293 -8.154 1.00 0.00 H new ATOM 814 N LYS A 58 0.513 -0.024 -8.147 1.00 0.00 N ATOM 815 CA LYS A 58 0.681 -0.343 -9.560 1.00 0.00 C ATOM 816 C LYS A 58 1.303 0.830 -10.312 1.00 0.00 C ATOM 817 O LYS A 58 0.981 1.075 -11.474 1.00 0.00 O ATOM 818 CB LYS A 58 -0.668 -0.706 -10.185 1.00 0.00 C ATOM 819 CG LYS A 58 -1.224 -2.035 -9.703 1.00 0.00 C ATOM 820 CD LYS A 58 -0.783 -3.181 -10.598 1.00 0.00 C ATOM 821 CE LYS A 58 0.543 -3.769 -10.138 1.00 0.00 C ATOM 822 NZ LYS A 58 0.847 -5.055 -10.825 1.00 0.00 N ATOM 0 H LYS A 58 0.720 -0.796 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 58 1.352 -1.198 -9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.387 0.082 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.560 -0.739 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.891 -2.221 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.313 -1.988 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.547 -3.959 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.689 -2.827 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.344 -3.055 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.514 -3.931 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.758 -5.424 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.096 -5.744 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.900 -4.896 -11.851 1.00 0.00 H new ATOM 836 N GLY A 59 2.197 1.550 -9.642 1.00 0.00 N ATOM 837 CA GLY A 59 2.850 2.687 -10.264 1.00 0.00 C ATOM 838 C GLY A 59 1.953 3.906 -10.331 1.00 0.00 C ATOM 839 O GLY A 59 1.918 4.604 -11.344 1.00 0.00 O ATOM 0 H GLY A 59 2.481 1.366 -8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.752 2.934 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.164 2.415 -11.272 1.00 0.00 H new ATOM 843 N ARG A 60 1.224 4.163 -9.249 1.00 0.00 N ATOM 844 CA ARG A 60 0.320 5.305 -9.191 1.00 0.00 C ATOM 845 C ARG A 60 0.184 5.818 -7.760 1.00 0.00 C ATOM 846 O ARG A 60 -0.195 5.073 -6.856 1.00 0.00 O ATOM 847 CB ARG A 60 -1.056 4.922 -9.740 1.00 0.00 C ATOM 848 CG ARG A 60 -1.177 5.083 -11.246 1.00 0.00 C ATOM 849 CD ARG A 60 -2.599 5.432 -11.657 1.00 0.00 C ATOM 850 NE ARG A 60 -2.927 4.920 -12.984 1.00 0.00 N ATOM 851 CZ ARG A 60 -4.164 4.859 -13.463 1.00 0.00 C ATOM 852 NH1 ARG A 60 -5.185 5.276 -12.727 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.383 4.379 -14.681 1.00 0.00 N ATOM 0 H ARG A 60 1.242 3.596 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 60 0.740 6.101 -9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.268 3.886 -9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.815 5.536 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.497 5.864 -11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.871 4.159 -11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.298 5.022 -10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.724 6.515 -11.645 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.164 4.591 -13.576 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.021 5.645 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.134 5.228 -13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.601 4.056 -15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.334 4.333 -15.048 1.00 0.00 H new ATOM 867 N TYR A 61 0.495 7.094 -7.563 1.00 0.00 N ATOM 868 CA TYR A 61 0.411 7.706 -6.242 1.00 0.00 C ATOM 869 C TYR A 61 -0.700 8.750 -6.195 1.00 0.00 C ATOM 870 O TYR A 61 -0.602 9.805 -6.820 1.00 0.00 O ATOM 871 CB TYR A 61 1.747 8.350 -5.869 1.00 0.00 C ATOM 872 CG TYR A 61 1.681 9.201 -4.621 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.808 8.633 -3.360 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.494 10.576 -4.704 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.748 9.407 -2.218 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.434 11.358 -3.567 1.00 0.00 C ATOM 877 CZ TYR A 61 1.561 10.769 -2.326 1.00 0.00 C ATOM 878 OH TYR A 61 1.501 11.545 -1.191 1.00 0.00 O ATOM 0 H TYR A 61 0.808 7.725 -8.301 1.00 0.00 H new ATOM 0 HA TYR A 61 0.179 6.922 -5.521 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.491 7.566 -5.725 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.089 8.966 -6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.956 7.567 -3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.394 11.041 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.847 8.948 -1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.288 12.425 -3.649 1.00 0.00 H new ATOM 0 HH TYR A 61 1.366 12.483 -1.442 1.00 0.00 H new ATOM 888 N GLY A 62 -1.758 8.447 -5.448 1.00 0.00 N ATOM 889 CA GLY A 62 -2.873 9.369 -5.332 1.00 0.00 C ATOM 890 C GLY A 62 -3.682 9.144 -4.071 1.00 0.00 C ATOM 891 O GLY A 62 -3.305 8.340 -3.217 1.00 0.00 O ATOM 0 H GLY A 62 -1.863 7.580 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.497 10.392 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.522 9.260 -6.201 1.00 0.00 H new ATOM 895 N LEU A 63 -4.797 9.856 -3.950 1.00 0.00 N ATOM 896 CA LEU A 63 -5.662 9.732 -2.782 1.00 0.00 C ATOM 897 C LEU A 63 -6.534 8.484 -2.881 1.00 0.00 C ATOM 898 O LEU A 63 -7.056 8.162 -3.949 1.00 0.00 O ATOM 899 CB LEU A 63 -6.543 10.974 -2.641 1.00 0.00 C ATOM 900 CG LEU A 63 -5.903 12.175 -1.944 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.480 13.475 -2.482 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.100 12.085 -0.438 1.00 0.00 C ATOM 0 H LEU A 63 -5.123 10.526 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.029 9.642 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.861 11.284 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.442 10.697 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.833 12.163 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.012 14.318 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.286 13.543 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.555 13.496 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.638 12.948 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.166 12.071 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.637 11.172 -0.064 1.00 0.00 H new ATOM 914 N PHE A 64 -6.690 7.787 -1.760 1.00 0.00 N ATOM 915 CA PHE A 64 -7.501 6.576 -1.720 1.00 0.00 C ATOM 916 C PHE A 64 -8.064 6.345 -0.321 1.00 0.00 C ATOM 917 O PHE A 64 -7.411 6.604 0.690 1.00 0.00 O ATOM 918 CB PHE A 64 -6.670 5.366 -2.153 1.00 0.00 C ATOM 919 CG PHE A 64 -5.643 4.950 -1.139 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.027 4.338 0.044 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.294 5.169 -1.368 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.084 3.955 0.979 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.347 4.788 -0.437 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.742 4.179 0.738 1.00 0.00 C ATOM 0 H PHE A 64 -6.266 8.040 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.334 6.703 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.338 4.527 -2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.168 5.597 -3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.074 4.159 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.979 5.643 -2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.396 3.481 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.299 4.966 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.004 3.879 1.467 1.00 0.00 H new ATOM 934 N PRO A 65 -9.308 5.846 -0.260 1.00 0.00 N ATOM 935 CA PRO A 65 -9.988 5.569 1.009 1.00 0.00 C ATOM 936 C PRO A 65 -9.372 4.388 1.751 1.00 0.00 C ATOM 937 O PRO A 65 -9.111 3.340 1.161 1.00 0.00 O ATOM 938 CB PRO A 65 -11.421 5.243 0.579 1.00 0.00 C ATOM 939 CG PRO A 65 -11.294 4.752 -0.822 1.00 0.00 C ATOM 940 CD PRO A 65 -10.146 5.513 -1.424 1.00 0.00 C ATOM 0 HA PRO A 65 -9.917 6.408 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.866 4.486 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.061 6.124 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.105 3.679 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.213 4.925 -1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.602 4.910 -2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.486 6.409 -1.943 1.00 0.00 H new ATOM 948 N ALA A 66 -9.144 4.563 3.048 1.00 0.00 N ATOM 949 CA ALA A 66 -8.562 3.511 3.871 1.00 0.00 C ATOM 950 C ALA A 66 -9.597 2.445 4.213 1.00 0.00 C ATOM 951 O ALA A 66 -9.284 1.448 4.862 1.00 0.00 O ATOM 952 CB ALA A 66 -7.970 4.101 5.143 1.00 0.00 C ATOM 0 H ALA A 66 -9.354 5.425 3.552 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.765 3.036 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.539 3.303 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.193 4.820 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.754 4.603 5.710 1.00 0.00 H new ATOM 958 N ASN A 67 -10.832 2.662 3.771 1.00 0.00 N ATOM 959 CA ASN A 67 -11.914 1.720 4.031 1.00 0.00 C ATOM 960 C ASN A 67 -11.843 0.532 3.076 1.00 0.00 C ATOM 961 O ASN A 67 -12.098 -0.607 3.465 1.00 0.00 O ATOM 962 CB ASN A 67 -13.269 2.417 3.896 1.00 0.00 C ATOM 963 CG ASN A 67 -13.630 3.223 5.129 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.813 4.438 5.059 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.734 2.547 6.268 1.00 0.00 N ATOM 0 H ASN A 67 -11.108 3.482 3.231 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.803 1.351 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.251 3.075 3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.042 1.670 3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.974 3.035 7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.574 1.540 6.280 1.00 0.00 H new ATOM 972 N TYR A 68 -11.495 0.808 1.824 1.00 0.00 N ATOM 973 CA TYR A 68 -11.392 -0.237 0.812 1.00 0.00 C ATOM 974 C TYR A 68 -10.059 -0.972 0.922 1.00 0.00 C ATOM 975 O TYR A 68 -9.674 -1.721 0.024 1.00 0.00 O ATOM 976 CB TYR A 68 -11.542 0.363 -0.587 1.00 0.00 C ATOM 977 CG TYR A 68 -12.976 0.647 -0.973 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.659 1.732 -0.437 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.649 -0.170 -1.874 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.969 1.995 -0.786 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.958 0.086 -2.230 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.614 1.169 -1.683 1.00 0.00 C ATOM 983 OH TYR A 68 -16.920 1.427 -2.035 1.00 0.00 O ATOM 0 H TYR A 68 -11.280 1.746 1.486 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.196 -0.953 0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.970 1.289 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.107 -0.321 -1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.156 2.381 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.139 -1.020 -2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.485 2.842 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.466 -0.558 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.225 0.752 -2.677 1.00 0.00 H new ATOM 993 N VAL A 69 -9.359 -0.753 2.030 1.00 0.00 N ATOM 994 CA VAL A 69 -8.071 -1.395 2.260 1.00 0.00 C ATOM 995 C VAL A 69 -7.848 -1.664 3.745 1.00 0.00 C ATOM 996 O VAL A 69 -8.550 -1.119 4.596 1.00 0.00 O ATOM 997 CB VAL A 69 -6.911 -0.534 1.726 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.237 0.000 0.339 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.607 0.606 2.687 1.00 0.00 C ATOM 0 H VAL A 69 -9.663 -0.135 2.783 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.089 -2.342 1.721 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.022 -1.160 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.406 0.606 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.401 -0.834 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.138 0.612 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.785 1.204 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.491 1.234 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.327 0.198 3.658 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.865 -2.506 4.047 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.550 -2.847 5.429 1.00 0.00 C ATOM 1011 C GLU A 70 -5.041 -2.944 5.635 1.00 0.00 C ATOM 1012 O GLU A 70 -4.305 -3.354 4.737 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.215 -4.169 5.816 1.00 0.00 C ATOM 1014 CG GLU A 70 -7.293 -4.395 7.317 1.00 0.00 C ATOM 1015 CD GLU A 70 -8.399 -5.358 7.705 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -9.567 -5.093 7.354 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -8.094 -6.377 8.360 1.00 0.00 O ATOM 0 H GLU A 70 -6.273 -2.964 3.354 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.936 -2.054 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.222 -4.195 5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.662 -4.991 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.338 -4.782 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.456 -3.440 7.817 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.587 -2.564 6.825 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.166 -2.608 7.150 1.00 0.00 C ATOM 1026 C LEU A 71 -2.722 -4.033 7.463 1.00 0.00 C ATOM 1027 O LEU A 71 -3.339 -4.721 8.277 1.00 0.00 O ATOM 1028 CB LEU A 71 -2.867 -1.695 8.341 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.128 -0.204 8.126 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -2.918 0.566 9.420 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.228 0.342 7.027 1.00 0.00 C ATOM 0 H LEU A 71 -5.182 -2.222 7.580 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.609 -2.257 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.465 -2.030 9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.821 -1.824 8.618 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.165 -0.077 7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.108 1.625 9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.604 0.193 10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.891 0.432 9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.428 1.404 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.184 0.203 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.427 -0.190 6.096 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.648 -4.469 6.813 1.00 0.00 N ATOM 1044 CA ARG A 72 -1.121 -5.812 7.023 1.00 0.00 C ATOM 1045 C ARG A 72 -0.239 -5.862 8.267 1.00 0.00 C ATOM 1046 O ARG A 72 0.145 -4.826 8.809 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.322 -6.266 5.800 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.189 -6.621 4.603 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.355 -6.795 3.343 1.00 0.00 C ATOM 1050 NE ARG A 72 0.525 -7.957 3.426 1.00 0.00 N ATOM 1051 CZ ARG A 72 0.133 -9.197 3.155 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -1.118 -9.435 2.785 1.00 0.00 N ATOM 1053 NH2 ARG A 72 0.994 -10.203 3.253 1.00 0.00 N ATOM 0 H ARG A 72 -1.126 -3.912 6.137 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.964 -6.487 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.370 -5.474 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.280 -7.133 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.736 -7.541 4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.931 -5.838 4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.016 -6.901 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.243 -5.899 3.177 1.00 0.00 H new ATOM 0 HE ARG A 72 1.494 -7.809 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.782 -8.665 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.416 -10.388 2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.957 -10.024 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.692 -11.155 3.045 1.00 0.00 H new ATOM 1067 N GLN A 73 0.077 -7.073 8.714 1.00 0.00 N ATOM 1068 CA GLN A 73 0.912 -7.257 9.895 1.00 0.00 C ATOM 1069 C GLN A 73 2.274 -7.829 9.515 1.00 0.00 C ATOM 1070 O GLN A 73 2.418 -8.480 8.481 1.00 0.00 O ATOM 1071 CB GLN A 73 0.219 -8.183 10.897 1.00 0.00 C ATOM 1072 CG GLN A 73 -0.868 -7.496 11.708 1.00 0.00 C ATOM 1073 CD GLN A 73 -0.310 -6.668 12.849 1.00 0.00 C ATOM 1074 OE1 GLN A 73 0.779 -6.102 12.746 1.00 0.00 O ATOM 1075 NE2 GLN A 73 -1.055 -6.593 13.946 1.00 0.00 N ATOM 0 H GLN A 73 -0.232 -7.941 8.276 1.00 0.00 H new ATOM 0 HA GLN A 73 1.064 -6.281 10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.217 -9.025 10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.965 -8.592 11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.455 -6.854 11.051 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.547 -8.248 12.109 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.951 -7.078 13.988 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.731 -6.050 14.746 1.00 0.00 H new ATOM 1084 N SER A 74 3.271 -7.580 10.359 1.00 0.00 N ATOM 1085 CA SER A 74 4.623 -8.067 10.109 1.00 0.00 C ATOM 1086 C SER A 74 5.191 -7.459 8.830 1.00 0.00 C ATOM 1087 O SER A 74 5.819 -8.148 8.028 1.00 0.00 O ATOM 1088 CB SER A 74 4.627 -9.593 10.007 1.00 0.00 C ATOM 1089 OG SER A 74 4.078 -10.184 11.172 1.00 0.00 O ATOM 0 H SER A 74 3.168 -7.044 11.221 1.00 0.00 H new ATOM 0 HA SER A 74 5.253 -7.764 10.946 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.054 -9.904 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.647 -9.948 9.862 1.00 0.00 H new ATOM 0 HG SER A 74 4.090 -11.160 11.081 1.00 0.00 H new ATOM 1095 N GLY A 75 4.965 -6.161 8.648 1.00 0.00 N ATOM 1096 CA GLY A 75 5.461 -5.481 7.466 1.00 0.00 C ATOM 1097 C GLY A 75 6.949 -5.202 7.538 1.00 0.00 C ATOM 1098 O GLY A 75 7.575 -5.325 8.591 1.00 0.00 O ATOM 0 H GLY A 75 4.448 -5.569 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.251 -6.089 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.924 -4.541 7.340 1.00 0.00 H new ATOM 1102 N PRO A 76 7.539 -4.819 6.396 1.00 0.00 N ATOM 1103 CA PRO A 76 8.971 -4.515 6.309 1.00 0.00 C ATOM 1104 C PRO A 76 9.337 -3.231 7.044 1.00 0.00 C ATOM 1105 O PRO A 76 10.510 -2.867 7.131 1.00 0.00 O ATOM 1106 CB PRO A 76 9.208 -4.356 4.805 1.00 0.00 C ATOM 1107 CG PRO A 76 7.883 -3.959 4.252 1.00 0.00 C ATOM 1108 CD PRO A 76 6.855 -4.651 5.103 1.00 0.00 C ATOM 0 HA PRO A 76 9.581 -5.291 6.772 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.965 -3.598 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.560 -5.286 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.754 -2.877 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.790 -4.258 3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.948 -4.054 5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.560 -5.610 4.677 1.00 0.00 H new ATOM 1116 N SER A 77 8.327 -2.548 7.573 1.00 0.00 N ATOM 1117 CA SER A 77 8.543 -1.302 8.298 1.00 0.00 C ATOM 1118 C SER A 77 9.431 -1.530 9.518 1.00 0.00 C ATOM 1119 O SER A 77 10.396 -0.799 9.743 1.00 0.00 O ATOM 1120 CB SER A 77 7.205 -0.701 8.733 1.00 0.00 C ATOM 1121 OG SER A 77 7.308 0.701 8.910 1.00 0.00 O ATOM 0 H SER A 77 7.351 -2.837 7.513 1.00 0.00 H new ATOM 0 HA SER A 77 9.046 -0.604 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.444 -0.921 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.880 -1.165 9.664 1.00 0.00 H new ATOM 0 HG SER A 77 6.439 1.061 9.186 1.00 0.00 H new ATOM 1127 N SER A 78 9.098 -2.550 10.302 1.00 0.00 N ATOM 1128 CA SER A 78 9.862 -2.874 11.501 1.00 0.00 C ATOM 1129 C SER A 78 11.355 -2.667 11.266 1.00 0.00 C ATOM 1130 O SER A 78 11.992 -1.850 11.930 1.00 0.00 O ATOM 1131 CB SER A 78 9.597 -4.320 11.925 1.00 0.00 C ATOM 1132 OG SER A 78 10.179 -4.596 13.187 1.00 0.00 O ATOM 0 H SER A 78 8.304 -3.166 10.129 1.00 0.00 H new ATOM 0 HA SER A 78 9.541 -2.204 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.523 -4.498 11.970 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.002 -5.002 11.177 1.00 0.00 H new ATOM 0 HG SER A 78 9.994 -5.526 13.436 1.00 0.00 H new ATOM 1138 N GLY A 79 11.908 -3.414 10.315 1.00 0.00 N ATOM 1139 CA GLY A 79 13.322 -3.298 10.009 1.00 0.00 C ATOM 1140 C GLY A 79 13.623 -2.126 9.096 1.00 0.00 C ATOM 1141 O GLY A 79 13.921 -2.310 7.916 1.00 0.00 O ATOM 0 H GLY A 79 11.402 -4.097 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.883 -3.186 10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.666 -4.219 9.538 1.00 0.00 H new TER 1145 GLY A 79