USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 792 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 6 SER OG : rot 72:sc= 0.465 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -161:sc= 0.823 (180deg=0.604) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.0444 (180deg=-0.291) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0398 (180deg=-0.0332) USER MOD Single : A 3 ASN : amide:sc= -3.16! C(o=-3.2!,f=-8.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 74:sc= -0.266 USER MOD Single : A 15 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 84:sc= 0.245 USER MOD Single : A 34 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-2.1!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -19.7! C(o=-20!,f=-21!) USER MOD Single : A 56 THR OG1 : rot 37:sc= 0.196 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 137:sc= -0.122 (180deg=-1.09) USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00267 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00374 X(o=-0.0037,f=-0.00048) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= 2.07 (180deg=0.647) USER MOD Single : A 82 GLN : amide:sc= -0.0615 X(o=-0.062,f=0) USER MOD Single : A 83 TYR OH : rot -115:sc= 0.232 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.755 K(o=-0.76,f=-0.13) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 92 HIS : no HD1:sc= -0.626 X(o=-0.63,f=-0.36) USER MOD Single : A 93 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.26) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.00034) USER MOD Single : A 95 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.057) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.537 -14.092 -1.384 1.00 0.00 N ATOM 2 CA MET A 1 -1.962 -12.849 -0.764 1.00 0.00 C ATOM 3 C MET A 1 -0.760 -12.053 -0.251 1.00 0.00 C ATOM 4 O MET A 1 -0.555 -10.908 -0.649 1.00 0.00 O ATOM 5 CB MET A 1 -2.906 -13.156 0.401 1.00 0.00 C ATOM 6 CG MET A 1 -4.250 -13.682 -0.107 1.00 0.00 C ATOM 7 SD MET A 1 -4.397 -15.425 0.248 1.00 0.00 S ATOM 8 CE MET A 1 -4.742 -16.046 -1.390 1.00 0.00 C ATOM 0 H1 MET A 1 -1.691 -14.038 -2.411 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.527 -14.247 -1.193 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.089 -14.882 -0.992 1.00 0.00 H new ATOM 0 HA MET A 1 -2.478 -12.249 -1.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.448 -13.894 1.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.064 -12.254 0.993 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.066 -13.136 0.366 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.334 -13.513 -1.181 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.237 -17.014 -1.315 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.392 -15.346 -1.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.808 -16.157 -1.941 1.00 0.00 H new ATOM 18 N GLU A 2 0.001 -12.692 0.624 1.00 0.00 N ATOM 19 CA GLU A 2 1.177 -12.058 1.196 1.00 0.00 C ATOM 20 C GLU A 2 2.346 -13.043 1.235 1.00 0.00 C ATOM 21 O GLU A 2 2.181 -14.220 0.916 1.00 0.00 O ATOM 22 CB GLU A 2 0.880 -11.504 2.590 1.00 0.00 C ATOM 23 CG GLU A 2 -0.179 -10.401 2.528 1.00 0.00 C ATOM 24 CD GLU A 2 -1.289 -10.649 3.552 1.00 0.00 C ATOM 25 OE1 GLU A 2 -0.937 -11.012 4.694 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.465 -10.466 3.168 1.00 0.00 O ATOM 0 H GLU A 2 -0.173 -13.642 0.951 1.00 0.00 H new ATOM 0 HA GLU A 2 1.457 -11.218 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.534 -12.309 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.795 -11.110 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.286 -9.434 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.606 -10.358 1.526 1.00 0.00 H new ATOM 33 N ASN A 3 3.501 -12.528 1.629 1.00 0.00 N ATOM 34 CA ASN A 3 4.697 -13.348 1.715 1.00 0.00 C ATOM 35 C ASN A 3 5.172 -13.698 0.302 1.00 0.00 C ATOM 36 O ASN A 3 4.520 -13.350 -0.679 1.00 0.00 O ATOM 37 CB ASN A 3 4.416 -14.657 2.457 1.00 0.00 C ATOM 38 CG ASN A 3 3.628 -14.398 3.743 1.00 0.00 C ATOM 39 OD1 ASN A 3 3.207 -13.291 4.033 1.00 0.00 O ATOM 40 ND2 ASN A 3 3.453 -15.480 4.497 1.00 0.00 N ATOM 0 H ASN A 3 3.634 -11.552 1.893 1.00 0.00 H new ATOM 0 HA ASN A 3 5.456 -12.783 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.854 -15.332 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.357 -15.153 2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.940 -15.412 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.832 -16.378 4.196 1.00 0.00 H new ATOM 47 N LYS A 4 6.305 -14.384 0.247 1.00 0.00 N ATOM 48 CA LYS A 4 6.875 -14.786 -1.028 1.00 0.00 C ATOM 49 C LYS A 4 7.334 -13.542 -1.791 1.00 0.00 C ATOM 50 O LYS A 4 6.673 -12.504 -1.749 1.00 0.00 O ATOM 51 CB LYS A 4 5.885 -15.654 -1.807 1.00 0.00 C ATOM 52 CG LYS A 4 6.415 -15.967 -3.208 1.00 0.00 C ATOM 53 CD LYS A 4 7.163 -17.302 -3.227 1.00 0.00 C ATOM 54 CE LYS A 4 7.225 -17.875 -4.644 1.00 0.00 C ATOM 55 NZ LYS A 4 6.421 -19.113 -4.738 1.00 0.00 N ATOM 0 H LYS A 4 6.843 -14.671 1.064 1.00 0.00 H new ATOM 0 HA LYS A 4 7.756 -15.409 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.706 -16.583 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.927 -15.140 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.586 -16.001 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.081 -15.169 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.173 -17.162 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.666 -18.011 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.854 -17.139 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.260 -18.085 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.474 -19.489 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.793 -19.820 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.430 -18.902 -4.502 1.00 0.00 H new ATOM 69 N LYS A 5 8.461 -13.686 -2.470 1.00 0.00 N ATOM 70 CA LYS A 5 9.017 -12.587 -3.241 1.00 0.00 C ATOM 71 C LYS A 5 7.880 -11.826 -3.928 1.00 0.00 C ATOM 72 O LYS A 5 7.191 -12.375 -4.786 1.00 0.00 O ATOM 73 CB LYS A 5 10.087 -13.097 -4.207 1.00 0.00 C ATOM 74 CG LYS A 5 9.587 -14.315 -4.987 1.00 0.00 C ATOM 75 CD LYS A 5 10.418 -15.556 -4.657 1.00 0.00 C ATOM 76 CE LYS A 5 10.752 -16.346 -5.925 1.00 0.00 C ATOM 77 NZ LYS A 5 11.391 -17.635 -5.580 1.00 0.00 N ATOM 0 H LYS A 5 9.005 -14.548 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 5 9.525 -11.880 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.362 -12.304 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.987 -13.361 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.540 -14.500 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.638 -14.112 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.339 -15.258 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.869 -16.192 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.843 -16.526 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.418 -15.762 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.611 -18.158 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.269 -17.457 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.743 -18.198 -4.993 1.00 0.00 H new ATOM 91 N SER A 6 7.721 -10.574 -3.525 1.00 0.00 N ATOM 92 CA SER A 6 6.679 -9.733 -4.090 1.00 0.00 C ATOM 93 C SER A 6 6.398 -8.551 -3.159 1.00 0.00 C ATOM 94 O SER A 6 6.130 -8.741 -1.974 1.00 0.00 O ATOM 95 CB SER A 6 5.398 -10.532 -4.335 1.00 0.00 C ATOM 96 OG SER A 6 5.206 -10.821 -5.718 1.00 0.00 O ATOM 0 H SER A 6 8.296 -10.122 -2.814 1.00 0.00 H new ATOM 0 HA SER A 6 7.028 -9.355 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.439 -11.464 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.543 -9.970 -3.960 1.00 0.00 H new ATOM 0 HG SER A 6 5.852 -11.501 -6.003 1.00 0.00 H new ATOM 102 N HIS A 7 6.469 -7.359 -3.732 1.00 0.00 N ATOM 103 CA HIS A 7 6.225 -6.147 -2.968 1.00 0.00 C ATOM 104 C HIS A 7 4.719 -5.899 -2.867 1.00 0.00 C ATOM 105 O HIS A 7 4.111 -5.367 -3.795 1.00 0.00 O ATOM 106 CB HIS A 7 6.982 -4.962 -3.573 1.00 0.00 C ATOM 107 CG HIS A 7 8.438 -5.245 -3.859 1.00 0.00 C ATOM 108 ND1 HIS A 7 8.956 -5.278 -5.142 1.00 0.00 N ATOM 109 CD2 HIS A 7 9.478 -5.506 -3.016 1.00 0.00 C ATOM 110 CE1 HIS A 7 10.251 -5.550 -5.061 1.00 0.00 C ATOM 111 NE2 HIS A 7 10.572 -5.690 -3.743 1.00 0.00 N ATOM 0 H HIS A 7 6.692 -7.206 -4.716 1.00 0.00 H new ATOM 0 HA HIS A 7 6.607 -6.268 -1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.491 -4.665 -4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.914 -4.114 -2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.420 -5.555 -1.939 1.00 0.00 H new ATOM 0 HE1 HIS A 7 10.933 -5.644 -5.893 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.500 -5.901 -3.377 1.00 0.00 H new ATOM 119 N TYR A 8 4.161 -6.294 -1.732 1.00 0.00 N ATOM 120 CA TYR A 8 2.738 -6.121 -1.496 1.00 0.00 C ATOM 121 C TYR A 8 2.459 -4.806 -0.765 1.00 0.00 C ATOM 122 O TYR A 8 2.830 -4.646 0.396 1.00 0.00 O ATOM 123 CB TYR A 8 2.313 -7.287 -0.603 1.00 0.00 C ATOM 124 CG TYR A 8 2.061 -8.592 -1.361 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.861 -8.789 -2.013 1.00 0.00 C ATOM 126 CD2 TYR A 8 3.034 -9.571 -1.393 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.624 -10.018 -2.727 1.00 0.00 C ATOM 128 CE2 TYR A 8 2.796 -10.799 -2.106 1.00 0.00 C ATOM 129 CZ TYR A 8 1.603 -10.962 -2.738 1.00 0.00 C ATOM 130 OH TYR A 8 1.378 -12.122 -3.412 1.00 0.00 O ATOM 0 H TYR A 8 4.670 -6.734 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 8 2.193 -6.098 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.086 -7.458 0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.405 -7.009 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.100 -8.023 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.973 -9.416 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.310 -10.186 -3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.548 -11.573 -2.138 1.00 0.00 H new ATOM 0 HH TYR A 8 2.164 -12.703 -3.335 1.00 0.00 H new ATOM 140 N PHE A 9 1.807 -3.898 -1.476 1.00 0.00 N ATOM 141 CA PHE A 9 1.474 -2.602 -0.910 1.00 0.00 C ATOM 142 C PHE A 9 0.134 -2.654 -0.170 1.00 0.00 C ATOM 143 O PHE A 9 -0.903 -2.923 -0.776 1.00 0.00 O ATOM 144 CB PHE A 9 1.361 -1.619 -2.076 1.00 0.00 C ATOM 145 CG PHE A 9 1.828 -0.201 -1.744 1.00 0.00 C ATOM 146 CD1 PHE A 9 1.232 0.494 -0.738 1.00 0.00 C ATOM 147 CD2 PHE A 9 2.841 0.366 -2.454 1.00 0.00 C ATOM 148 CE1 PHE A 9 1.667 1.809 -0.429 1.00 0.00 C ATOM 149 CE2 PHE A 9 3.276 1.681 -2.145 1.00 0.00 C ATOM 150 CZ PHE A 9 2.679 2.375 -1.138 1.00 0.00 C ATOM 0 H PHE A 9 1.500 -4.034 -2.439 1.00 0.00 H new ATOM 0 HA PHE A 9 2.241 -2.300 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.947 -1.996 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.323 -1.580 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.428 0.045 -0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.314 -0.185 -3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.194 2.360 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.080 2.131 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.009 3.376 -0.902 1.00 0.00 H new ATOM 160 N TYR A 10 0.199 -2.393 1.127 1.00 0.00 N ATOM 161 CA TYR A 10 -0.995 -2.407 1.954 1.00 0.00 C ATOM 162 C TYR A 10 -1.134 -1.101 2.737 1.00 0.00 C ATOM 163 O TYR A 10 -0.149 -0.573 3.250 1.00 0.00 O ATOM 164 CB TYR A 10 -0.811 -3.562 2.940 1.00 0.00 C ATOM 165 CG TYR A 10 0.417 -3.422 3.841 1.00 0.00 C ATOM 166 CD1 TYR A 10 1.669 -3.744 3.356 1.00 0.00 C ATOM 167 CD2 TYR A 10 0.275 -2.974 5.138 1.00 0.00 C ATOM 168 CE1 TYR A 10 2.826 -3.611 4.203 1.00 0.00 C ATOM 169 CE2 TYR A 10 1.430 -2.843 5.986 1.00 0.00 C ATOM 170 CZ TYR A 10 2.649 -3.167 5.476 1.00 0.00 C ATOM 171 OH TYR A 10 3.741 -3.043 6.277 1.00 0.00 O ATOM 0 H TYR A 10 1.061 -2.170 1.626 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.887 -2.521 1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.701 -3.638 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.734 -4.495 2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.781 -4.096 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.704 -2.721 5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.811 -3.858 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.332 -2.496 7.004 1.00 0.00 H new ATOM 0 HH TYR A 10 3.465 -2.715 7.158 1.00 0.00 H new ATOM 181 N VAL A 11 -2.365 -0.617 2.805 1.00 0.00 N ATOM 182 CA VAL A 11 -2.647 0.618 3.518 1.00 0.00 C ATOM 183 C VAL A 11 -3.434 0.298 4.791 1.00 0.00 C ATOM 184 O VAL A 11 -4.337 -0.536 4.774 1.00 0.00 O ATOM 185 CB VAL A 11 -3.372 1.600 2.597 1.00 0.00 C ATOM 186 CG1 VAL A 11 -3.548 2.960 3.276 1.00 0.00 C ATOM 187 CG2 VAL A 11 -2.640 1.742 1.261 1.00 0.00 C ATOM 0 H VAL A 11 -3.180 -1.058 2.378 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.720 1.104 3.823 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.364 1.198 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.066 3.640 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.133 2.839 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.570 3.372 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.177 2.446 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.629 2.110 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.592 0.771 0.768 1.00 0.00 H new ATOM 197 N LEU A 12 -3.062 0.981 5.865 1.00 0.00 N ATOM 198 CA LEU A 12 -3.723 0.781 7.144 1.00 0.00 C ATOM 199 C LEU A 12 -4.462 2.060 7.536 1.00 0.00 C ATOM 200 O LEU A 12 -3.873 3.140 7.560 1.00 0.00 O ATOM 201 CB LEU A 12 -2.719 0.304 8.195 1.00 0.00 C ATOM 202 CG LEU A 12 -2.134 -1.094 7.978 1.00 0.00 C ATOM 203 CD1 LEU A 12 -1.002 -1.373 8.969 1.00 0.00 C ATOM 204 CD2 LEU A 12 -3.227 -2.162 8.041 1.00 0.00 C ATOM 0 H LEU A 12 -2.312 1.673 5.875 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.471 -0.009 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.897 1.018 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.206 0.325 9.170 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.704 -1.133 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.603 -2.372 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.210 -0.637 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.386 -1.309 9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.784 -3.146 7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.708 -2.133 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.969 -1.970 7.266 1.00 0.00 H new ATOM 216 N LEU A 13 -5.743 1.898 7.835 1.00 0.00 N ATOM 217 CA LEU A 13 -6.570 3.027 8.225 1.00 0.00 C ATOM 218 C LEU A 13 -6.930 2.901 9.708 1.00 0.00 C ATOM 219 O LEU A 13 -7.547 1.921 10.120 1.00 0.00 O ATOM 220 CB LEU A 13 -7.787 3.143 7.306 1.00 0.00 C ATOM 221 CG LEU A 13 -9.111 3.500 7.985 1.00 0.00 C ATOM 222 CD1 LEU A 13 -9.060 4.908 8.581 1.00 0.00 C ATOM 223 CD2 LEU A 13 -10.286 3.326 7.021 1.00 0.00 C ATOM 0 H LEU A 13 -6.228 1.001 7.815 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.020 3.961 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.575 3.898 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.914 2.195 6.783 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.269 2.807 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.013 5.136 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.262 4.961 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.868 5.632 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.215 3.586 7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.149 3.978 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.333 2.289 6.688 1.00 0.00 H new ATOM 235 N CYS A 14 -6.528 3.910 10.468 1.00 0.00 N ATOM 236 CA CYS A 14 -6.799 3.925 11.895 1.00 0.00 C ATOM 237 C CYS A 14 -8.044 4.781 12.138 1.00 0.00 C ATOM 238 O CYS A 14 -8.834 5.007 11.222 1.00 0.00 O ATOM 239 CB CYS A 14 -5.596 4.428 12.695 1.00 0.00 C ATOM 240 SG CYS A 14 -4.081 3.545 12.168 1.00 0.00 S ATOM 0 H CYS A 14 -6.017 4.722 10.122 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.984 2.909 12.243 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.472 5.501 12.546 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.766 4.272 13.760 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.704 3.986 11.004 1.00 0.00 H new ATOM 246 N GLN A 15 -8.179 5.233 13.376 1.00 0.00 N ATOM 247 CA GLN A 15 -9.314 6.060 13.751 1.00 0.00 C ATOM 248 C GLN A 15 -8.942 7.542 13.668 1.00 0.00 C ATOM 249 O GLN A 15 -9.817 8.402 13.593 1.00 0.00 O ATOM 250 CB GLN A 15 -9.818 5.697 15.149 1.00 0.00 C ATOM 251 CG GLN A 15 -10.290 4.243 15.202 1.00 0.00 C ATOM 252 CD GLN A 15 -11.684 4.096 14.588 1.00 0.00 C ATOM 253 OE1 GLN A 15 -12.369 5.064 14.301 1.00 0.00 O ATOM 254 NE2 GLN A 15 -12.065 2.835 14.406 1.00 0.00 N ATOM 0 H GLN A 15 -7.522 5.042 14.132 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.125 5.870 13.048 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.022 5.851 15.878 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.638 6.359 15.427 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.584 3.608 14.667 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.306 3.900 16.236 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.442 2.071 14.668 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.980 2.632 14.004 1.00 0.00 H new ATOM 263 N ASP A 16 -7.642 7.795 13.688 1.00 0.00 N ATOM 264 CA ASP A 16 -7.142 9.157 13.616 1.00 0.00 C ATOM 265 C ASP A 16 -6.693 9.457 12.185 1.00 0.00 C ATOM 266 O ASP A 16 -5.716 10.175 11.976 1.00 0.00 O ATOM 267 CB ASP A 16 -5.939 9.352 14.541 1.00 0.00 C ATOM 268 CG ASP A 16 -5.894 10.696 15.270 1.00 0.00 C ATOM 269 OD1 ASP A 16 -6.980 11.149 15.692 1.00 0.00 O ATOM 270 OD2 ASP A 16 -4.774 11.240 15.388 1.00 0.00 O ATOM 0 H ASP A 16 -6.919 7.079 13.753 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.945 9.827 13.923 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.937 8.553 15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.027 9.244 13.954 1.00 0.00 H new ATOM 275 N GLY A 17 -7.427 8.891 11.238 1.00 0.00 N ATOM 276 CA GLY A 17 -7.115 9.090 9.832 1.00 0.00 C ATOM 277 C GLY A 17 -5.615 8.935 9.575 1.00 0.00 C ATOM 278 O GLY A 17 -4.982 9.830 9.019 1.00 0.00 O ATOM 0 H GLY A 17 -8.236 8.295 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.667 8.370 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.440 10.083 9.521 1.00 0.00 H new ATOM 282 N SER A 18 -5.091 7.793 9.993 1.00 0.00 N ATOM 283 CA SER A 18 -3.678 7.509 9.815 1.00 0.00 C ATOM 284 C SER A 18 -3.489 6.450 8.728 1.00 0.00 C ATOM 285 O SER A 18 -3.664 5.257 8.980 1.00 0.00 O ATOM 286 CB SER A 18 -3.039 7.045 11.125 1.00 0.00 C ATOM 287 OG SER A 18 -2.899 8.111 12.060 1.00 0.00 O ATOM 0 H SER A 18 -5.620 7.053 10.455 1.00 0.00 H new ATOM 0 HA SER A 18 -3.182 8.429 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.648 6.255 11.565 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.059 6.614 10.917 1.00 0.00 H new ATOM 0 HG SER A 18 -2.489 7.772 12.883 1.00 0.00 H new ATOM 293 N PHE A 19 -3.133 6.921 7.542 1.00 0.00 N ATOM 294 CA PHE A 19 -2.919 6.028 6.415 1.00 0.00 C ATOM 295 C PHE A 19 -1.470 5.542 6.369 1.00 0.00 C ATOM 296 O PHE A 19 -0.548 6.340 6.205 1.00 0.00 O ATOM 297 CB PHE A 19 -3.216 6.831 5.147 1.00 0.00 C ATOM 298 CG PHE A 19 -4.661 6.710 4.658 1.00 0.00 C ATOM 299 CD1 PHE A 19 -5.672 7.261 5.380 1.00 0.00 C ATOM 300 CD2 PHE A 19 -4.933 6.052 3.499 1.00 0.00 C ATOM 301 CE1 PHE A 19 -7.012 7.149 4.927 1.00 0.00 C ATOM 302 CE2 PHE A 19 -6.274 5.940 3.045 1.00 0.00 C ATOM 303 CZ PHE A 19 -7.286 6.490 3.769 1.00 0.00 C ATOM 0 H PHE A 19 -2.987 7.909 7.337 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.564 5.154 6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.993 7.881 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.546 6.499 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.455 7.785 6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.130 5.615 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.815 7.587 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.490 5.418 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.306 6.403 3.425 1.00 0.00 H new ATOM 313 N TYR A 20 -1.313 4.234 6.517 1.00 0.00 N ATOM 314 CA TYR A 20 0.009 3.632 6.494 1.00 0.00 C ATOM 315 C TYR A 20 0.166 2.698 5.292 1.00 0.00 C ATOM 316 O TYR A 20 -0.169 1.517 5.371 1.00 0.00 O ATOM 317 CB TYR A 20 0.119 2.810 7.780 1.00 0.00 C ATOM 318 CG TYR A 20 1.261 3.245 8.701 1.00 0.00 C ATOM 319 CD1 TYR A 20 1.193 4.459 9.358 1.00 0.00 C ATOM 320 CD2 TYR A 20 2.359 2.428 8.875 1.00 0.00 C ATOM 321 CE1 TYR A 20 2.269 4.869 10.224 1.00 0.00 C ATOM 322 CE2 TYR A 20 3.434 2.838 9.740 1.00 0.00 C ATOM 323 CZ TYR A 20 3.335 4.038 10.372 1.00 0.00 C ATOM 324 OH TYR A 20 4.350 4.427 11.190 1.00 0.00 O ATOM 0 H TYR A 20 -2.080 3.575 6.653 1.00 0.00 H new ATOM 0 HA TYR A 20 0.779 4.400 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.822 2.881 8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.257 1.761 7.518 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.334 5.100 9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.412 1.479 8.361 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.230 5.815 10.744 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.299 2.207 9.884 1.00 0.00 H new ATOM 0 HH TYR A 20 5.044 3.735 11.202 1.00 0.00 H new ATOM 334 N GLY A 21 0.673 3.263 4.206 1.00 0.00 N ATOM 335 CA GLY A 21 0.878 2.497 2.990 1.00 0.00 C ATOM 336 C GLY A 21 2.358 2.153 2.801 1.00 0.00 C ATOM 337 O GLY A 21 3.217 3.031 2.863 1.00 0.00 O ATOM 0 H GLY A 21 0.948 4.243 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.290 1.580 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.521 3.067 2.132 1.00 0.00 H new ATOM 341 N GLY A 22 2.610 0.870 2.576 1.00 0.00 N ATOM 342 CA GLY A 22 3.969 0.400 2.378 1.00 0.00 C ATOM 343 C GLY A 22 3.983 -0.956 1.667 1.00 0.00 C ATOM 344 O GLY A 22 3.109 -1.790 1.898 1.00 0.00 O ATOM 0 H GLY A 22 1.896 0.144 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.527 1.129 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.472 0.315 3.341 1.00 0.00 H new ATOM 348 N TYR A 23 4.982 -1.133 0.817 1.00 0.00 N ATOM 349 CA TYR A 23 5.121 -2.372 0.071 1.00 0.00 C ATOM 350 C TYR A 23 6.302 -3.195 0.589 1.00 0.00 C ATOM 351 O TYR A 23 7.421 -2.691 0.681 1.00 0.00 O ATOM 352 CB TYR A 23 5.394 -1.966 -1.377 1.00 0.00 C ATOM 353 CG TYR A 23 6.650 -1.110 -1.558 1.00 0.00 C ATOM 354 CD1 TYR A 23 7.877 -1.715 -1.737 1.00 0.00 C ATOM 355 CD2 TYR A 23 6.556 0.267 -1.541 1.00 0.00 C ATOM 356 CE1 TYR A 23 9.058 -0.910 -1.906 1.00 0.00 C ATOM 357 CE2 TYR A 23 7.738 1.071 -1.711 1.00 0.00 C ATOM 358 CZ TYR A 23 8.931 0.444 -1.884 1.00 0.00 C ATOM 359 OH TYR A 23 10.048 1.203 -2.045 1.00 0.00 O ATOM 0 H TYR A 23 5.704 -0.438 0.628 1.00 0.00 H new ATOM 0 HA TYR A 23 4.223 -2.982 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.490 -2.866 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.534 -1.415 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.951 -2.792 -1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.596 0.741 -1.400 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.024 -1.371 -2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.678 2.149 -1.701 1.00 0.00 H new ATOM 0 HH TYR A 23 9.807 2.152 -2.009 1.00 0.00 H new ATOM 369 N THR A 24 6.016 -4.446 0.914 1.00 0.00 N ATOM 370 CA THR A 24 7.040 -5.343 1.419 1.00 0.00 C ATOM 371 C THR A 24 6.534 -6.787 1.416 1.00 0.00 C ATOM 372 O THR A 24 5.349 -7.033 1.195 1.00 0.00 O ATOM 373 CB THR A 24 7.458 -4.850 2.805 1.00 0.00 C ATOM 374 OG1 THR A 24 8.862 -5.085 2.849 1.00 0.00 O ATOM 375 CG2 THR A 24 6.899 -5.723 3.931 1.00 0.00 C ATOM 0 H THR A 24 5.087 -4.861 0.837 1.00 0.00 H new ATOM 0 HA THR A 24 7.920 -5.339 0.776 1.00 0.00 H new ATOM 0 HB THR A 24 7.121 -3.822 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.216 -4.792 3.715 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.226 -5.329 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.810 -5.719 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.263 -6.744 3.815 1.00 0.00 H new ATOM 383 N THR A 25 7.458 -7.704 1.661 1.00 0.00 N ATOM 384 CA THR A 25 7.122 -9.118 1.688 1.00 0.00 C ATOM 385 C THR A 25 6.921 -9.591 3.130 1.00 0.00 C ATOM 386 O THR A 25 7.637 -9.161 4.033 1.00 0.00 O ATOM 387 CB THR A 25 8.220 -9.881 0.946 1.00 0.00 C ATOM 388 OG1 THR A 25 9.277 -9.980 1.897 1.00 0.00 O ATOM 389 CG2 THR A 25 8.825 -9.068 -0.200 1.00 0.00 C ATOM 0 H THR A 25 8.440 -7.496 1.843 1.00 0.00 H new ATOM 0 HA THR A 25 6.176 -9.309 1.181 1.00 0.00 H new ATOM 0 HB THR A 25 7.813 -10.813 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.031 -10.463 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.599 -9.655 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.045 -8.817 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.262 -8.151 0.195 1.00 0.00 H new ATOM 397 N GLU A 26 5.944 -10.468 3.302 1.00 0.00 N ATOM 398 CA GLU A 26 5.641 -11.005 4.617 1.00 0.00 C ATOM 399 C GLU A 26 5.433 -9.866 5.618 1.00 0.00 C ATOM 400 O GLU A 26 6.276 -9.634 6.483 1.00 0.00 O ATOM 401 CB GLU A 26 6.742 -11.956 5.090 1.00 0.00 C ATOM 402 CG GLU A 26 6.899 -13.134 4.127 1.00 0.00 C ATOM 403 CD GLU A 26 7.921 -14.141 4.656 1.00 0.00 C ATOM 404 OE1 GLU A 26 9.126 -13.814 4.592 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.475 -15.216 5.111 1.00 0.00 O ATOM 0 H GLU A 26 5.351 -10.821 2.551 1.00 0.00 H new ATOM 0 HA GLU A 26 4.717 -11.579 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.686 -11.416 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.504 -12.326 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.936 -13.626 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.214 -12.770 3.149 1.00 0.00 H new ATOM 412 N PRO A 27 4.276 -9.168 5.462 1.00 0.00 N ATOM 413 CA PRO A 27 3.947 -8.059 6.342 1.00 0.00 C ATOM 414 C PRO A 27 3.499 -8.563 7.716 1.00 0.00 C ATOM 415 O PRO A 27 3.777 -7.934 8.735 1.00 0.00 O ATOM 416 CB PRO A 27 2.862 -7.285 5.611 1.00 0.00 C ATOM 417 CG PRO A 27 2.299 -8.239 4.571 1.00 0.00 C ATOM 418 CD PRO A 27 3.255 -9.414 4.448 1.00 0.00 C ATOM 0 HA PRO A 27 4.804 -7.418 6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.085 -6.956 6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.270 -6.390 5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.308 -8.583 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.189 -7.735 3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.744 -10.361 4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.692 -9.467 3.451 1.00 0.00 H new ATOM 426 N GLU A 28 2.809 -9.695 7.699 1.00 0.00 N ATOM 427 CA GLU A 28 2.320 -10.292 8.930 1.00 0.00 C ATOM 428 C GLU A 28 3.398 -10.235 10.013 1.00 0.00 C ATOM 429 O GLU A 28 3.133 -9.806 11.135 1.00 0.00 O ATOM 430 CB GLU A 28 1.854 -11.731 8.694 1.00 0.00 C ATOM 431 CG GLU A 28 0.656 -11.770 7.743 1.00 0.00 C ATOM 432 CD GLU A 28 -0.657 -11.582 8.505 1.00 0.00 C ATOM 433 OE1 GLU A 28 -0.672 -10.714 9.405 1.00 0.00 O ATOM 434 OE2 GLU A 28 -1.617 -12.309 8.171 1.00 0.00 O ATOM 0 H GLU A 28 2.577 -10.214 6.852 1.00 0.00 H new ATOM 0 HA GLU A 28 1.459 -9.718 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.672 -12.319 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.583 -12.190 9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.759 -10.988 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.639 -12.722 7.213 1.00 0.00 H new ATOM 441 N ARG A 29 4.591 -10.677 9.639 1.00 0.00 N ATOM 442 CA ARG A 29 5.710 -10.682 10.565 1.00 0.00 C ATOM 443 C ARG A 29 6.179 -9.251 10.838 1.00 0.00 C ATOM 444 O ARG A 29 6.270 -8.832 11.992 1.00 0.00 O ATOM 445 CB ARG A 29 6.879 -11.497 10.012 1.00 0.00 C ATOM 446 CG ARG A 29 6.752 -12.972 10.402 1.00 0.00 C ATOM 447 CD ARG A 29 6.877 -13.877 9.176 1.00 0.00 C ATOM 448 NE ARG A 29 7.092 -15.278 9.601 1.00 0.00 N ATOM 449 CZ ARG A 29 6.119 -16.092 10.030 1.00 0.00 C ATOM 450 NH1 ARG A 29 4.856 -15.649 10.094 1.00 0.00 N ATOM 451 NH2 ARG A 29 6.407 -17.349 10.395 1.00 0.00 N ATOM 0 H ARG A 29 4.806 -11.034 8.708 1.00 0.00 H new ATOM 0 HA ARG A 29 5.370 -11.140 11.494 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.909 -11.405 8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.819 -11.096 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.525 -13.228 11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.791 -13.142 10.887 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.975 -13.807 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.707 -13.546 8.552 1.00 0.00 H new ATOM 0 HE ARG A 29 8.042 -15.647 9.565 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.636 -14.692 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.114 -16.268 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.368 -17.687 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.665 -17.968 10.722 1.00 0.00 H new ATOM 465 N ARG A 30 6.468 -8.540 9.757 1.00 0.00 N ATOM 466 CA ARG A 30 6.926 -7.166 9.865 1.00 0.00 C ATOM 467 C ARG A 30 6.001 -6.370 10.787 1.00 0.00 C ATOM 468 O ARG A 30 6.464 -5.561 11.589 1.00 0.00 O ATOM 469 CB ARG A 30 6.972 -6.491 8.493 1.00 0.00 C ATOM 470 CG ARG A 30 7.953 -5.317 8.492 1.00 0.00 C ATOM 471 CD ARG A 30 7.257 -4.021 8.071 1.00 0.00 C ATOM 472 NE ARG A 30 8.077 -3.309 7.065 1.00 0.00 N ATOM 473 CZ ARG A 30 9.281 -2.780 7.318 1.00 0.00 C ATOM 474 NH1 ARG A 30 9.813 -2.878 8.544 1.00 0.00 N ATOM 475 NH2 ARG A 30 9.954 -2.151 6.345 1.00 0.00 N ATOM 0 H ARG A 30 6.394 -8.891 8.802 1.00 0.00 H new ATOM 0 HA ARG A 30 7.933 -7.184 10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.268 -7.217 7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.976 -6.138 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.383 -5.197 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.778 -5.528 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.273 -4.245 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.100 -3.384 8.941 1.00 0.00 H new ATOM 0 HE ARG A 30 7.702 -3.216 6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.301 -3.356 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.730 -2.475 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.549 -2.075 5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.871 -1.748 6.538 1.00 0.00 H new ATOM 489 N LEU A 31 4.708 -6.625 10.642 1.00 0.00 N ATOM 490 CA LEU A 31 3.714 -5.941 11.450 1.00 0.00 C ATOM 491 C LEU A 31 3.953 -6.265 12.926 1.00 0.00 C ATOM 492 O LEU A 31 4.163 -5.364 13.737 1.00 0.00 O ATOM 493 CB LEU A 31 2.303 -6.283 10.967 1.00 0.00 C ATOM 494 CG LEU A 31 1.218 -5.252 11.284 1.00 0.00 C ATOM 495 CD1 LEU A 31 0.607 -4.687 10.000 1.00 0.00 C ATOM 496 CD2 LEU A 31 0.155 -5.843 12.212 1.00 0.00 C ATOM 0 H LEU A 31 4.327 -7.297 9.976 1.00 0.00 H new ATOM 0 HA LEU A 31 3.811 -4.861 11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.335 -6.427 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.011 -7.236 11.407 1.00 0.00 H new ATOM 0 HG LEU A 31 1.682 -4.420 11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.161 -3.957 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.385 -4.205 9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.161 -5.497 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.604 -5.090 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.310 -6.703 11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.621 -6.158 13.146 1.00 0.00 H new ATOM 508 N THR A 32 3.915 -7.554 13.230 1.00 0.00 N ATOM 509 CA THR A 32 4.126 -8.009 14.594 1.00 0.00 C ATOM 510 C THR A 32 5.284 -7.245 15.238 1.00 0.00 C ATOM 511 O THR A 32 5.114 -6.613 16.279 1.00 0.00 O ATOM 512 CB THR A 32 4.338 -9.522 14.560 1.00 0.00 C ATOM 513 OG1 THR A 32 3.058 -10.047 14.221 1.00 0.00 O ATOM 514 CG2 THR A 32 4.623 -10.105 15.946 1.00 0.00 C ATOM 0 H THR A 32 3.741 -8.298 12.555 1.00 0.00 H new ATOM 0 HA THR A 32 3.257 -7.804 15.219 1.00 0.00 H new ATOM 0 HB THR A 32 5.165 -9.756 13.890 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.944 -10.028 13.248 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.766 -11.183 15.865 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.525 -9.649 16.354 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.781 -9.899 16.607 1.00 0.00 H new ATOM 522 N GLU A 33 6.438 -7.328 14.590 1.00 0.00 N ATOM 523 CA GLU A 33 7.624 -6.653 15.086 1.00 0.00 C ATOM 524 C GLU A 33 7.256 -5.282 15.658 1.00 0.00 C ATOM 525 O GLU A 33 7.540 -4.993 16.819 1.00 0.00 O ATOM 526 CB GLU A 33 8.681 -6.522 13.987 1.00 0.00 C ATOM 527 CG GLU A 33 10.028 -7.079 14.452 1.00 0.00 C ATOM 528 CD GLU A 33 11.051 -5.958 14.635 1.00 0.00 C ATOM 529 OE1 GLU A 33 11.269 -5.220 13.650 1.00 0.00 O ATOM 530 OE2 GLU A 33 11.594 -5.863 15.758 1.00 0.00 O ATOM 0 H GLU A 33 6.576 -7.853 13.726 1.00 0.00 H new ATOM 0 HA GLU A 33 8.052 -7.256 15.887 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.351 -7.055 13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.793 -5.474 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.899 -7.615 15.392 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.399 -7.799 13.723 1.00 0.00 H new ATOM 537 N HIS A 34 6.629 -4.474 14.815 1.00 0.00 N ATOM 538 CA HIS A 34 6.219 -3.141 15.222 1.00 0.00 C ATOM 539 C HIS A 34 5.540 -3.209 16.591 1.00 0.00 C ATOM 540 O HIS A 34 6.057 -2.676 17.573 1.00 0.00 O ATOM 541 CB HIS A 34 5.334 -2.495 14.154 1.00 0.00 C ATOM 542 CG HIS A 34 4.115 -1.797 14.706 1.00 0.00 C ATOM 543 ND1 HIS A 34 2.883 -1.827 14.075 1.00 0.00 N ATOM 544 CD2 HIS A 34 3.950 -1.050 15.835 1.00 0.00 C ATOM 545 CE1 HIS A 34 2.024 -1.127 14.801 1.00 0.00 C ATOM 546 NE2 HIS A 34 2.687 -0.645 15.891 1.00 0.00 N ATOM 0 H HIS A 34 6.395 -4.717 13.852 1.00 0.00 H new ATOM 0 HA HIS A 34 7.096 -2.501 15.321 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.928 -1.775 13.591 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.013 -3.263 13.450 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.717 -0.826 16.561 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.981 -0.966 14.570 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.280 -0.069 16.627 1.00 0.00 H new ATOM 554 N ASN A 35 4.391 -3.868 16.615 1.00 0.00 N ATOM 555 CA ASN A 35 3.636 -4.012 17.848 1.00 0.00 C ATOM 556 C ASN A 35 4.543 -4.600 18.931 1.00 0.00 C ATOM 557 O ASN A 35 4.276 -4.445 20.121 1.00 0.00 O ATOM 558 CB ASN A 35 2.449 -4.959 17.660 1.00 0.00 C ATOM 559 CG ASN A 35 1.130 -4.184 17.622 1.00 0.00 C ATOM 560 OD1 ASN A 35 0.440 -4.033 18.616 1.00 0.00 O ATOM 561 ND2 ASN A 35 0.820 -3.703 16.421 1.00 0.00 N ATOM 0 H ASN A 35 3.964 -4.308 15.800 1.00 0.00 H new ATOM 0 HA ASN A 35 3.269 -3.027 18.135 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.571 -5.522 16.734 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.425 -5.684 18.473 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.041 -3.171 16.291 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.443 -3.866 15.630 1.00 0.00 H new ATOM 568 N SER A 36 5.597 -5.263 18.479 1.00 0.00 N ATOM 569 CA SER A 36 6.545 -5.875 19.393 1.00 0.00 C ATOM 570 C SER A 36 7.781 -4.986 19.540 1.00 0.00 C ATOM 571 O SER A 36 8.868 -5.471 19.847 1.00 0.00 O ATOM 572 CB SER A 36 6.950 -7.272 18.915 1.00 0.00 C ATOM 573 OG SER A 36 6.104 -8.285 19.450 1.00 0.00 O ATOM 0 H SER A 36 5.815 -5.390 17.491 1.00 0.00 H new ATOM 0 HA SER A 36 6.063 -5.979 20.365 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.914 -7.307 17.826 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.982 -7.470 19.206 1.00 0.00 H new ATOM 0 HG SER A 36 6.394 -9.161 19.120 1.00 0.00 H new ATOM 579 N GLY A 37 7.573 -3.697 19.313 1.00 0.00 N ATOM 580 CA GLY A 37 8.656 -2.735 19.414 1.00 0.00 C ATOM 581 C GLY A 37 8.910 -2.048 18.070 1.00 0.00 C ATOM 582 O GLY A 37 8.686 -2.640 17.016 1.00 0.00 O ATOM 0 H GLY A 37 6.670 -3.297 19.059 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.413 -1.987 20.168 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.564 -3.238 19.746 1.00 0.00 H new ATOM 586 N THR A 38 9.374 -0.810 18.152 1.00 0.00 N ATOM 587 CA THR A 38 9.659 -0.037 16.956 1.00 0.00 C ATOM 588 C THR A 38 10.812 0.936 17.212 1.00 0.00 C ATOM 589 O THR A 38 11.846 0.869 16.546 1.00 0.00 O ATOM 590 CB THR A 38 8.367 0.655 16.519 1.00 0.00 C ATOM 591 OG1 THR A 38 7.586 -0.396 15.954 1.00 0.00 O ATOM 592 CG2 THR A 38 8.585 1.624 15.356 1.00 0.00 C ATOM 0 H THR A 38 9.560 -0.323 19.029 1.00 0.00 H new ATOM 0 HA THR A 38 9.991 -0.680 16.141 1.00 0.00 H new ATOM 0 HB THR A 38 7.940 1.195 17.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.728 -0.036 15.645 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.636 2.088 15.086 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.294 2.396 15.654 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.980 1.080 14.498 1.00 0.00 H new ATOM 600 N GLY A 39 10.597 1.817 18.178 1.00 0.00 N ATOM 601 CA GLY A 39 11.606 2.802 18.530 1.00 0.00 C ATOM 602 C GLY A 39 10.958 4.083 19.059 1.00 0.00 C ATOM 603 O GLY A 39 10.310 4.811 18.308 1.00 0.00 O ATOM 0 H GLY A 39 9.739 1.869 18.728 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.275 2.389 19.285 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.216 3.032 17.656 1.00 0.00 H new ATOM 607 N ALA A 40 11.158 4.320 20.346 1.00 0.00 N ATOM 608 CA ALA A 40 10.601 5.502 20.985 1.00 0.00 C ATOM 609 C ALA A 40 9.076 5.399 20.996 1.00 0.00 C ATOM 610 O ALA A 40 8.432 5.543 19.958 1.00 0.00 O ATOM 611 CB ALA A 40 11.097 6.755 20.259 1.00 0.00 C ATOM 0 H ALA A 40 11.698 3.715 20.965 1.00 0.00 H new ATOM 0 HA ALA A 40 10.933 5.572 22.021 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.680 7.641 20.737 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.185 6.796 20.305 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.779 6.721 19.217 1.00 0.00 H new ATOM 617 N LYS A 41 8.539 5.152 22.183 1.00 0.00 N ATOM 618 CA LYS A 41 7.101 5.029 22.343 1.00 0.00 C ATOM 619 C LYS A 41 6.408 6.162 21.585 1.00 0.00 C ATOM 620 O LYS A 41 6.984 7.233 21.399 1.00 0.00 O ATOM 621 CB LYS A 41 6.731 4.965 23.827 1.00 0.00 C ATOM 622 CG LYS A 41 6.943 6.320 24.503 1.00 0.00 C ATOM 623 CD LYS A 41 8.212 6.312 25.358 1.00 0.00 C ATOM 624 CE LYS A 41 8.242 7.513 26.304 1.00 0.00 C ATOM 625 NZ LYS A 41 9.597 8.112 26.340 1.00 0.00 N ATOM 0 H LYS A 41 9.075 5.034 23.043 1.00 0.00 H new ATOM 0 HA LYS A 41 6.748 4.093 21.909 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.690 4.660 23.933 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.337 4.208 24.324 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.015 7.101 23.746 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.081 6.558 25.126 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.260 5.389 25.935 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.090 6.331 24.712 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.517 8.259 25.978 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.949 7.201 27.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.600 8.926 26.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.281 7.403 26.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.862 8.428 25.385 1.00 0.00 H new ATOM 639 N TYR A 42 5.182 5.888 21.166 1.00 0.00 N ATOM 640 CA TYR A 42 4.404 6.872 20.431 1.00 0.00 C ATOM 641 C TYR A 42 2.907 6.579 20.539 1.00 0.00 C ATOM 642 O TYR A 42 2.511 5.472 20.900 1.00 0.00 O ATOM 643 CB TYR A 42 4.833 6.742 18.969 1.00 0.00 C ATOM 644 CG TYR A 42 5.171 8.076 18.298 1.00 0.00 C ATOM 645 CD1 TYR A 42 4.160 8.876 17.807 1.00 0.00 C ATOM 646 CD2 TYR A 42 6.486 8.478 18.185 1.00 0.00 C ATOM 647 CE1 TYR A 42 4.477 10.131 17.177 1.00 0.00 C ATOM 648 CE2 TYR A 42 6.804 9.734 17.555 1.00 0.00 C ATOM 649 CZ TYR A 42 5.784 10.497 17.082 1.00 0.00 C ATOM 650 OH TYR A 42 6.084 11.682 16.485 1.00 0.00 O ATOM 0 H TYR A 42 4.707 4.999 21.321 1.00 0.00 H new ATOM 0 HA TYR A 42 4.575 7.872 20.829 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.703 6.088 18.913 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.034 6.257 18.408 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.131 8.561 17.895 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.277 7.851 18.569 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.695 10.767 16.789 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.829 10.061 17.461 1.00 0.00 H new ATOM 0 HH TYR A 42 7.055 11.814 16.489 1.00 0.00 H new ATOM 660 N THR A 43 2.114 7.591 20.220 1.00 0.00 N ATOM 661 CA THR A 43 0.668 7.455 20.277 1.00 0.00 C ATOM 662 C THR A 43 0.227 7.019 21.674 1.00 0.00 C ATOM 663 O THR A 43 0.062 5.828 21.933 1.00 0.00 O ATOM 664 CB THR A 43 0.241 6.486 19.173 1.00 0.00 C ATOM 665 OG1 THR A 43 0.344 7.253 17.977 1.00 0.00 O ATOM 666 CG2 THR A 43 -1.244 6.122 19.256 1.00 0.00 C ATOM 0 H THR A 43 2.445 8.508 19.921 1.00 0.00 H new ATOM 0 HA THR A 43 0.174 8.410 20.100 1.00 0.00 H new ATOM 0 HB THR A 43 0.842 5.579 19.235 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.087 6.700 17.210 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.495 5.432 18.450 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.449 5.649 20.216 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.846 7.026 19.161 1.00 0.00 H new ATOM 674 N ARG A 44 0.049 8.005 22.539 1.00 0.00 N ATOM 675 CA ARG A 44 -0.368 7.738 23.906 1.00 0.00 C ATOM 676 C ARG A 44 -1.892 7.816 24.018 1.00 0.00 C ATOM 677 O ARG A 44 -2.508 7.012 24.717 1.00 0.00 O ATOM 678 CB ARG A 44 0.260 8.736 24.880 1.00 0.00 C ATOM 679 CG ARG A 44 0.694 8.041 26.172 1.00 0.00 C ATOM 680 CD ARG A 44 0.286 8.860 27.399 1.00 0.00 C ATOM 681 NE ARG A 44 -0.241 7.963 28.453 1.00 0.00 N ATOM 682 CZ ARG A 44 0.508 7.089 29.139 1.00 0.00 C ATOM 683 NH1 ARG A 44 1.821 6.990 28.889 1.00 0.00 N ATOM 684 NH2 ARG A 44 -0.056 6.317 30.077 1.00 0.00 N ATOM 0 H ARG A 44 0.186 8.992 22.321 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.030 6.735 24.166 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.121 9.213 24.412 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.456 9.525 25.110 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.243 7.050 26.225 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.775 7.899 26.168 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.144 9.415 27.778 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.471 9.593 27.122 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.236 8.014 28.670 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.250 7.580 28.176 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.391 6.325 29.411 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.055 6.395 30.269 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.513 5.651 30.600 1.00 0.00 H new ATOM 698 N LEU A 45 -2.456 8.790 23.321 1.00 0.00 N ATOM 699 CA LEU A 45 -3.897 8.983 23.335 1.00 0.00 C ATOM 700 C LEU A 45 -4.590 7.637 23.110 1.00 0.00 C ATOM 701 O LEU A 45 -5.262 7.124 24.004 1.00 0.00 O ATOM 702 CB LEU A 45 -4.302 10.059 22.326 1.00 0.00 C ATOM 703 CG LEU A 45 -3.526 10.070 21.009 1.00 0.00 C ATOM 704 CD1 LEU A 45 -4.467 9.888 19.816 1.00 0.00 C ATOM 705 CD2 LEU A 45 -2.679 11.338 20.881 1.00 0.00 C ATOM 0 H LEU A 45 -1.942 9.455 22.743 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.223 9.351 24.308 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.361 9.936 22.099 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.188 11.034 22.800 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.840 9.223 21.011 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.889 9.900 18.892 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.988 8.935 19.906 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.194 10.700 19.799 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.138 11.320 19.935 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.328 12.213 20.911 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.968 11.385 21.705 1.00 0.00 H new ATOM 717 N ALA A 46 -4.402 7.105 21.912 1.00 0.00 N ATOM 718 CA ALA A 46 -5.001 5.828 21.558 1.00 0.00 C ATOM 719 C ALA A 46 -3.897 4.846 21.161 1.00 0.00 C ATOM 720 O ALA A 46 -3.731 4.538 19.981 1.00 0.00 O ATOM 721 CB ALA A 46 -6.026 6.037 20.442 1.00 0.00 C ATOM 0 H ALA A 46 -3.844 7.534 21.174 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.531 5.402 22.410 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.475 5.080 20.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.803 6.720 20.785 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.531 6.460 19.568 1.00 0.00 H new ATOM 727 N LYS A 47 -3.173 4.380 22.167 1.00 0.00 N ATOM 728 CA LYS A 47 -2.090 3.438 21.937 1.00 0.00 C ATOM 729 C LYS A 47 -2.524 2.416 20.884 1.00 0.00 C ATOM 730 O LYS A 47 -1.935 2.341 19.807 1.00 0.00 O ATOM 731 CB LYS A 47 -1.639 2.807 23.257 1.00 0.00 C ATOM 732 CG LYS A 47 -0.681 3.734 24.008 1.00 0.00 C ATOM 733 CD LYS A 47 -0.708 3.450 25.510 1.00 0.00 C ATOM 734 CE LYS A 47 -1.493 4.530 26.258 1.00 0.00 C ATOM 735 NZ LYS A 47 -1.379 4.332 27.721 1.00 0.00 N ATOM 0 H LYS A 47 -3.315 4.637 23.144 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.215 3.953 21.541 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.509 2.596 23.879 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.149 1.854 23.060 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.332 3.602 23.627 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.957 4.773 23.826 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.160 2.475 25.691 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.311 3.405 25.894 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.115 5.516 25.988 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.541 4.498 25.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.917 5.073 28.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.761 3.399 27.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.379 4.385 28.002 1.00 0.00 H new ATOM 749 N ARG A 48 -3.551 1.654 21.232 1.00 0.00 N ATOM 750 CA ARG A 48 -4.071 0.640 20.332 1.00 0.00 C ATOM 751 C ARG A 48 -4.754 1.298 19.131 1.00 0.00 C ATOM 752 O ARG A 48 -5.656 2.119 19.297 1.00 0.00 O ATOM 753 CB ARG A 48 -5.074 -0.269 21.045 1.00 0.00 C ATOM 754 CG ARG A 48 -4.443 -1.623 21.382 1.00 0.00 C ATOM 755 CD ARG A 48 -4.525 -1.907 22.882 1.00 0.00 C ATOM 756 NE ARG A 48 -5.483 -3.007 23.135 1.00 0.00 N ATOM 757 CZ ARG A 48 -5.597 -3.650 24.306 1.00 0.00 C ATOM 758 NH1 ARG A 48 -4.811 -3.310 25.336 1.00 0.00 N ATOM 759 NH2 ARG A 48 -6.494 -4.635 24.444 1.00 0.00 N ATOM 0 H ARG A 48 -4.037 1.719 22.126 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.230 0.036 19.992 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.421 0.212 21.959 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.949 -0.419 20.412 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.952 -2.413 20.830 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.401 -1.632 21.063 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.540 -2.176 23.264 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.840 -1.009 23.414 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.095 -3.294 22.371 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.126 -2.562 25.229 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.898 -3.799 26.227 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.090 -4.896 23.658 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.581 -5.124 25.335 1.00 0.00 H new ATOM 773 N ARG A 49 -4.300 0.911 17.947 1.00 0.00 N ATOM 774 CA ARG A 49 -4.856 1.454 16.719 1.00 0.00 C ATOM 775 C ARG A 49 -5.386 0.323 15.833 1.00 0.00 C ATOM 776 O ARG A 49 -4.631 -0.564 15.436 1.00 0.00 O ATOM 777 CB ARG A 49 -3.806 2.252 15.943 1.00 0.00 C ATOM 778 CG ARG A 49 -2.749 1.326 15.341 1.00 0.00 C ATOM 779 CD ARG A 49 -1.522 2.118 14.885 1.00 0.00 C ATOM 780 NE ARG A 49 -0.716 2.523 16.058 1.00 0.00 N ATOM 781 CZ ARG A 49 0.563 2.919 15.990 1.00 0.00 C ATOM 782 NH1 ARG A 49 1.188 2.967 14.806 1.00 0.00 N ATOM 783 NH2 ARG A 49 1.216 3.267 17.108 1.00 0.00 N ATOM 0 H ARG A 49 -3.554 0.228 17.813 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.673 2.122 16.991 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.290 2.822 15.150 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.328 2.973 16.607 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.452 0.580 16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.173 0.786 14.494 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.918 1.512 14.210 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.835 3.000 14.327 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.161 2.499 16.975 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.691 2.702 13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.161 3.268 14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.740 3.230 18.009 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.189 3.568 17.057 1.00 0.00 H new ATOM 797 N PRO A 50 -6.711 0.396 15.540 1.00 0.00 N ATOM 798 CA PRO A 50 -7.349 -0.610 14.707 1.00 0.00 C ATOM 799 C PRO A 50 -6.978 -0.419 13.235 1.00 0.00 C ATOM 800 O PRO A 50 -7.627 0.345 12.522 1.00 0.00 O ATOM 801 CB PRO A 50 -8.838 -0.450 14.969 1.00 0.00 C ATOM 802 CG PRO A 50 -9.009 0.934 15.577 1.00 0.00 C ATOM 803 CD PRO A 50 -7.634 1.433 15.991 1.00 0.00 C ATOM 0 HA PRO A 50 -7.022 -1.622 14.945 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.409 -0.544 14.045 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.200 -1.222 15.648 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.461 1.615 14.856 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.676 0.893 16.438 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.406 2.394 15.529 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.573 1.575 17.070 1.00 0.00 H new ATOM 811 N VAL A 51 -5.937 -1.127 12.824 1.00 0.00 N ATOM 812 CA VAL A 51 -5.472 -1.046 11.450 1.00 0.00 C ATOM 813 C VAL A 51 -6.369 -1.907 10.560 1.00 0.00 C ATOM 814 O VAL A 51 -6.404 -3.128 10.704 1.00 0.00 O ATOM 815 CB VAL A 51 -3.996 -1.441 11.372 1.00 0.00 C ATOM 816 CG1 VAL A 51 -3.129 -0.494 12.206 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.795 -2.895 11.808 1.00 0.00 C ATOM 0 H VAL A 51 -5.402 -1.760 13.419 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.540 -0.021 11.085 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.680 -1.355 10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.085 -0.798 12.133 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.238 0.524 11.832 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.446 -0.533 13.248 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.738 -3.151 11.744 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.136 -3.017 12.836 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.368 -3.553 11.155 1.00 0.00 H new ATOM 827 N ILE A 52 -7.074 -1.238 9.660 1.00 0.00 N ATOM 828 CA ILE A 52 -7.970 -1.928 8.748 1.00 0.00 C ATOM 829 C ILE A 52 -7.387 -1.878 7.334 1.00 0.00 C ATOM 830 O ILE A 52 -6.729 -0.908 6.963 1.00 0.00 O ATOM 831 CB ILE A 52 -9.384 -1.354 8.849 1.00 0.00 C ATOM 832 CG1 ILE A 52 -9.460 0.037 8.215 1.00 0.00 C ATOM 833 CG2 ILE A 52 -9.871 -1.349 10.300 1.00 0.00 C ATOM 834 CD1 ILE A 52 -10.844 0.292 7.615 1.00 0.00 C ATOM 0 H ILE A 52 -7.043 -0.225 9.543 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.057 -2.979 9.022 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.055 -2.001 8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.240 0.795 8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.701 0.128 7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.879 -0.936 10.344 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.880 -2.369 10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.202 -0.738 10.906 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.870 1.287 7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -11.051 -0.453 6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.598 0.224 8.399 1.00 0.00 H new ATOM 846 N MET A 53 -7.648 -2.939 6.583 1.00 0.00 N ATOM 847 CA MET A 53 -7.157 -3.030 5.218 1.00 0.00 C ATOM 848 C MET A 53 -8.198 -2.507 4.226 1.00 0.00 C ATOM 849 O MET A 53 -9.265 -3.099 4.071 1.00 0.00 O ATOM 850 CB MET A 53 -6.825 -4.486 4.891 1.00 0.00 C ATOM 851 CG MET A 53 -5.428 -4.605 4.276 1.00 0.00 C ATOM 852 SD MET A 53 -4.718 -6.193 4.676 1.00 0.00 S ATOM 853 CE MET A 53 -3.529 -5.699 5.912 1.00 0.00 C ATOM 0 H MET A 53 -8.193 -3.743 6.894 1.00 0.00 H new ATOM 0 HA MET A 53 -6.260 -2.416 5.132 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.879 -5.088 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.566 -4.885 4.199 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.487 -4.486 3.194 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.788 -3.806 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.992 -6.577 6.272 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.821 -4.995 5.475 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.046 -5.223 6.745 1.00 0.00 H new ATOM 863 N ILE A 54 -7.852 -1.404 3.579 1.00 0.00 N ATOM 864 CA ILE A 54 -8.742 -0.796 2.605 1.00 0.00 C ATOM 865 C ILE A 54 -8.045 -0.743 1.245 1.00 0.00 C ATOM 866 O ILE A 54 -8.578 -0.178 0.291 1.00 0.00 O ATOM 867 CB ILE A 54 -9.227 0.567 3.101 1.00 0.00 C ATOM 868 CG1 ILE A 54 -8.158 1.252 3.955 1.00 0.00 C ATOM 869 CG2 ILE A 54 -10.558 0.439 3.845 1.00 0.00 C ATOM 870 CD1 ILE A 54 -6.955 1.660 3.103 1.00 0.00 C ATOM 0 H ILE A 54 -6.966 -0.915 3.710 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.639 -1.402 2.479 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.403 1.202 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.582 2.133 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.835 0.578 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.880 1.423 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.311 0.023 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.433 -0.220 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.210 2.145 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.519 0.774 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.278 2.352 2.326 1.00 0.00 H new ATOM 882 N HIS A 55 -6.862 -1.340 1.198 1.00 0.00 N ATOM 883 CA HIS A 55 -6.086 -1.368 -0.030 1.00 0.00 C ATOM 884 C HIS A 55 -5.401 -2.729 -0.173 1.00 0.00 C ATOM 885 O HIS A 55 -5.165 -3.416 0.819 1.00 0.00 O ATOM 886 CB HIS A 55 -5.098 -0.200 -0.075 1.00 0.00 C ATOM 887 CG HIS A 55 -5.727 1.121 -0.448 1.00 0.00 C ATOM 888 ND1 HIS A 55 -6.318 1.350 -1.679 1.00 0.00 N ATOM 889 CD2 HIS A 55 -5.853 2.280 0.260 1.00 0.00 C ATOM 890 CE1 HIS A 55 -6.772 2.594 -1.700 1.00 0.00 C ATOM 891 NE2 HIS A 55 -6.483 3.169 -0.497 1.00 0.00 N ATOM 0 H HIS A 55 -6.423 -1.808 1.991 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.749 -1.241 -0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.622 -0.102 0.901 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.310 -0.431 -0.792 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.500 2.446 1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.282 3.070 -2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.713 4.125 -0.225 1.00 0.00 H new ATOM 899 N THR A 56 -5.103 -3.076 -1.416 1.00 0.00 N ATOM 900 CA THR A 56 -4.449 -4.342 -1.703 1.00 0.00 C ATOM 901 C THR A 56 -3.737 -4.281 -3.055 1.00 0.00 C ATOM 902 O THR A 56 -4.385 -4.223 -4.100 1.00 0.00 O ATOM 903 CB THR A 56 -5.505 -5.447 -1.621 1.00 0.00 C ATOM 904 OG1 THR A 56 -6.614 -4.923 -2.345 1.00 0.00 O ATOM 905 CG2 THR A 56 -6.045 -5.638 -0.201 1.00 0.00 C ATOM 0 H THR A 56 -5.302 -2.503 -2.236 1.00 0.00 H new ATOM 0 HA THR A 56 -3.670 -4.560 -0.972 1.00 0.00 H new ATOM 0 HB THR A 56 -5.076 -6.384 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.289 -4.410 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.790 -6.433 -0.199 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.226 -5.907 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.503 -4.710 0.142 1.00 0.00 H new ATOM 913 N GLU A 57 -2.414 -4.297 -2.993 1.00 0.00 N ATOM 914 CA GLU A 57 -1.607 -4.245 -4.200 1.00 0.00 C ATOM 915 C GLU A 57 -0.473 -5.269 -4.125 1.00 0.00 C ATOM 916 O GLU A 57 0.010 -5.589 -3.040 1.00 0.00 O ATOM 917 CB GLU A 57 -1.058 -2.836 -4.430 1.00 0.00 C ATOM 918 CG GLU A 57 -1.317 -2.375 -5.867 1.00 0.00 C ATOM 919 CD GLU A 57 -1.931 -0.975 -5.890 1.00 0.00 C ATOM 920 OE1 GLU A 57 -3.178 -0.901 -5.853 1.00 0.00 O ATOM 921 OE2 GLU A 57 -1.140 -0.008 -5.947 1.00 0.00 O ATOM 0 H GLU A 57 -1.880 -4.345 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.242 -4.497 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.525 -2.141 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.013 -2.821 -4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.382 -2.375 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.986 -3.078 -6.363 1.00 0.00 H new ATOM 928 N LYS A 58 -0.081 -5.757 -5.293 1.00 0.00 N ATOM 929 CA LYS A 58 0.986 -6.739 -5.374 1.00 0.00 C ATOM 930 C LYS A 58 1.885 -6.410 -6.568 1.00 0.00 C ATOM 931 O LYS A 58 1.409 -6.303 -7.697 1.00 0.00 O ATOM 932 CB LYS A 58 0.409 -8.156 -5.411 1.00 0.00 C ATOM 933 CG LYS A 58 1.512 -9.191 -5.641 1.00 0.00 C ATOM 934 CD LYS A 58 1.010 -10.339 -6.519 1.00 0.00 C ATOM 935 CE LYS A 58 1.331 -10.082 -7.993 1.00 0.00 C ATOM 936 NZ LYS A 58 2.646 -10.663 -8.346 1.00 0.00 N ATOM 0 H LYS A 58 -0.484 -5.490 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 58 1.611 -6.698 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.104 -8.368 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.335 -8.229 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.370 -8.714 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.854 -9.583 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.471 -11.274 -6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.066 -10.455 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.554 -10.517 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.336 -9.010 -8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.997 -10.223 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.321 -10.487 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.545 -11.688 -8.491 1.00 0.00 H new ATOM 950 N PHE A 59 3.169 -6.261 -6.276 1.00 0.00 N ATOM 951 CA PHE A 59 4.140 -5.947 -7.312 1.00 0.00 C ATOM 952 C PHE A 59 5.282 -6.965 -7.320 1.00 0.00 C ATOM 953 O PHE A 59 5.849 -7.277 -6.274 1.00 0.00 O ATOM 954 CB PHE A 59 4.709 -4.564 -6.987 1.00 0.00 C ATOM 955 CG PHE A 59 3.669 -3.443 -7.010 1.00 0.00 C ATOM 956 CD1 PHE A 59 2.850 -3.295 -8.086 1.00 0.00 C ATOM 957 CD2 PHE A 59 3.561 -2.592 -5.952 1.00 0.00 C ATOM 958 CE1 PHE A 59 1.884 -2.255 -8.106 1.00 0.00 C ATOM 959 CE2 PHE A 59 2.596 -1.551 -5.973 1.00 0.00 C ATOM 960 CZ PHE A 59 1.778 -1.404 -7.050 1.00 0.00 C ATOM 0 H PHE A 59 3.560 -6.352 -5.338 1.00 0.00 H new ATOM 0 HA PHE A 59 3.661 -5.971 -8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.173 -4.596 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.497 -4.329 -7.702 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.935 -3.969 -8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.210 -2.709 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.233 -2.139 -8.960 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.511 -0.876 -5.134 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.044 -0.612 -7.067 1.00 0.00 H new ATOM 970 N GLU A 60 5.583 -7.459 -8.512 1.00 0.00 N ATOM 971 CA GLU A 60 6.648 -8.435 -8.671 1.00 0.00 C ATOM 972 C GLU A 60 7.825 -7.820 -9.428 1.00 0.00 C ATOM 973 O GLU A 60 8.969 -8.233 -9.246 1.00 0.00 O ATOM 974 CB GLU A 60 6.136 -9.692 -9.378 1.00 0.00 C ATOM 975 CG GLU A 60 5.836 -9.407 -10.853 1.00 0.00 C ATOM 976 CD GLU A 60 4.484 -9.997 -11.260 1.00 0.00 C ATOM 977 OE1 GLU A 60 3.461 -9.403 -10.857 1.00 0.00 O ATOM 978 OE2 GLU A 60 4.505 -11.027 -11.968 1.00 0.00 O ATOM 0 H GLU A 60 5.108 -7.202 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 60 6.995 -8.730 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.879 -10.486 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.234 -10.051 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.835 -8.331 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.624 -9.829 -11.477 1.00 0.00 H new ATOM 985 N THR A 61 7.505 -6.842 -10.261 1.00 0.00 N ATOM 986 CA THR A 61 8.523 -6.165 -11.047 1.00 0.00 C ATOM 987 C THR A 61 9.021 -4.918 -10.314 1.00 0.00 C ATOM 988 O THR A 61 8.247 -4.239 -9.639 1.00 0.00 O ATOM 989 CB THR A 61 7.933 -5.864 -12.427 1.00 0.00 C ATOM 990 OG1 THR A 61 6.707 -5.195 -12.142 1.00 0.00 O ATOM 991 CG2 THR A 61 7.502 -7.130 -13.169 1.00 0.00 C ATOM 0 H THR A 61 6.555 -6.501 -10.409 1.00 0.00 H new ATOM 0 HA THR A 61 9.401 -6.796 -11.184 1.00 0.00 H new ATOM 0 HB THR A 61 8.668 -5.325 -13.025 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.259 -4.962 -12.982 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.091 -6.860 -14.142 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.365 -7.782 -13.308 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.743 -7.652 -12.587 1.00 0.00 H new ATOM 999 N ARG A 62 10.309 -4.652 -10.472 1.00 0.00 N ATOM 1000 CA ARG A 62 10.920 -3.499 -9.833 1.00 0.00 C ATOM 1001 C ARG A 62 10.463 -2.208 -10.519 1.00 0.00 C ATOM 1002 O ARG A 62 10.275 -1.186 -9.863 1.00 0.00 O ATOM 1003 CB ARG A 62 12.447 -3.583 -9.886 1.00 0.00 C ATOM 1004 CG ARG A 62 13.085 -2.564 -8.941 1.00 0.00 C ATOM 1005 CD ARG A 62 13.466 -3.214 -7.609 1.00 0.00 C ATOM 1006 NE ARG A 62 14.874 -3.670 -7.653 1.00 0.00 N ATOM 1007 CZ ARG A 62 15.931 -2.857 -7.527 1.00 0.00 C ATOM 1008 NH1 ARG A 62 15.748 -1.541 -7.351 1.00 0.00 N ATOM 1009 NH2 ARG A 62 17.172 -3.358 -7.579 1.00 0.00 N ATOM 0 H ARG A 62 10.947 -5.216 -11.034 1.00 0.00 H new ATOM 0 HA ARG A 62 10.604 -3.493 -8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.769 -4.588 -9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.790 -3.403 -10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.972 -2.136 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.390 -1.743 -8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.331 -2.501 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.808 -4.059 -7.405 1.00 0.00 H new ATOM 0 HE ARG A 62 15.050 -4.666 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.803 -1.158 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.553 -0.922 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.313 -4.359 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.977 -2.738 -7.483 1.00 0.00 H new ATOM 1023 N SER A 63 10.300 -2.300 -11.831 1.00 0.00 N ATOM 1024 CA SER A 63 9.870 -1.154 -12.613 1.00 0.00 C ATOM 1025 C SER A 63 8.571 -0.587 -12.038 1.00 0.00 C ATOM 1026 O SER A 63 8.452 0.621 -11.836 1.00 0.00 O ATOM 1027 CB SER A 63 9.681 -1.529 -14.084 1.00 0.00 C ATOM 1028 OG SER A 63 10.924 -1.759 -14.740 1.00 0.00 O ATOM 0 H SER A 63 10.458 -3.150 -12.372 1.00 0.00 H new ATOM 0 HA SER A 63 10.647 -0.392 -12.559 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.063 -2.424 -14.153 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.143 -0.731 -14.595 1.00 0.00 H new ATOM 0 HG SER A 63 10.761 -1.997 -15.676 1.00 0.00 H new ATOM 1034 N GLU A 64 7.629 -1.485 -11.791 1.00 0.00 N ATOM 1035 CA GLU A 64 6.342 -1.089 -11.244 1.00 0.00 C ATOM 1036 C GLU A 64 6.503 -0.618 -9.797 1.00 0.00 C ATOM 1037 O GLU A 64 5.938 0.403 -9.406 1.00 0.00 O ATOM 1038 CB GLU A 64 5.331 -2.233 -11.339 1.00 0.00 C ATOM 1039 CG GLU A 64 4.646 -2.248 -12.707 1.00 0.00 C ATOM 1040 CD GLU A 64 3.686 -1.066 -12.854 1.00 0.00 C ATOM 1041 OE1 GLU A 64 2.899 -0.854 -11.907 1.00 0.00 O ATOM 1042 OE2 GLU A 64 3.761 -0.402 -13.910 1.00 0.00 O ATOM 0 H GLU A 64 7.731 -2.486 -11.960 1.00 0.00 H new ATOM 0 HA GLU A 64 5.957 -0.258 -11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.836 -3.184 -11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.582 -2.127 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.399 -2.210 -13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.099 -3.183 -12.834 1.00 0.00 H new ATOM 1049 N ALA A 65 7.275 -1.384 -9.042 1.00 0.00 N ATOM 1050 CA ALA A 65 7.518 -1.057 -7.646 1.00 0.00 C ATOM 1051 C ALA A 65 7.859 0.430 -7.527 1.00 0.00 C ATOM 1052 O ALA A 65 7.141 1.184 -6.874 1.00 0.00 O ATOM 1053 CB ALA A 65 8.628 -1.956 -7.097 1.00 0.00 C ATOM 0 H ALA A 65 7.741 -2.230 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 65 6.625 -1.239 -7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.810 -1.711 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.324 -3.000 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.541 -1.798 -7.671 1.00 0.00 H new ATOM 1059 N THR A 66 8.956 0.806 -8.168 1.00 0.00 N ATOM 1060 CA THR A 66 9.400 2.190 -8.142 1.00 0.00 C ATOM 1061 C THR A 66 8.308 3.112 -8.684 1.00 0.00 C ATOM 1062 O THR A 66 8.197 4.262 -8.267 1.00 0.00 O ATOM 1063 CB THR A 66 10.713 2.277 -8.923 1.00 0.00 C ATOM 1064 OG1 THR A 66 11.071 3.655 -8.845 1.00 0.00 O ATOM 1065 CG2 THR A 66 10.522 2.028 -10.421 1.00 0.00 C ATOM 0 H THR A 66 9.550 0.177 -8.708 1.00 0.00 H new ATOM 0 HA THR A 66 9.587 2.527 -7.122 1.00 0.00 H new ATOM 0 HB THR A 66 11.422 1.553 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.913 3.802 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.484 2.101 -10.928 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.106 1.032 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.839 2.773 -10.830 1.00 0.00 H new ATOM 1073 N LYS A 67 7.525 2.571 -9.607 1.00 0.00 N ATOM 1074 CA LYS A 67 6.444 3.331 -10.212 1.00 0.00 C ATOM 1075 C LYS A 67 5.387 3.637 -9.149 1.00 0.00 C ATOM 1076 O LYS A 67 4.883 4.757 -9.074 1.00 0.00 O ATOM 1077 CB LYS A 67 5.892 2.597 -11.436 1.00 0.00 C ATOM 1078 CG LYS A 67 5.768 3.544 -12.632 1.00 0.00 C ATOM 1079 CD LYS A 67 6.532 3.003 -13.842 1.00 0.00 C ATOM 1080 CE LYS A 67 7.271 4.126 -14.571 1.00 0.00 C ATOM 1081 NZ LYS A 67 8.211 3.565 -15.567 1.00 0.00 N ATOM 0 H LYS A 67 7.618 1.615 -9.950 1.00 0.00 H new ATOM 0 HA LYS A 67 6.811 4.288 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.548 1.765 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.916 2.172 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.717 3.674 -12.890 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.154 4.527 -12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.245 2.245 -13.517 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.838 2.515 -14.527 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.554 4.780 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.816 4.738 -13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.705 4.340 -16.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.906 2.960 -15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.683 3.000 -16.263 1.00 0.00 H new ATOM 1095 N ALA A 68 5.082 2.622 -8.354 1.00 0.00 N ATOM 1096 CA ALA A 68 4.092 2.769 -7.299 1.00 0.00 C ATOM 1097 C ALA A 68 4.508 3.913 -6.372 1.00 0.00 C ATOM 1098 O ALA A 68 3.664 4.676 -5.905 1.00 0.00 O ATOM 1099 CB ALA A 68 3.940 1.440 -6.555 1.00 0.00 C ATOM 0 H ALA A 68 5.502 1.695 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 68 3.118 3.022 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.198 1.549 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.616 0.668 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.897 1.156 -6.118 1.00 0.00 H new ATOM 1105 N GLU A 69 5.809 3.995 -6.133 1.00 0.00 N ATOM 1106 CA GLU A 69 6.347 5.032 -5.269 1.00 0.00 C ATOM 1107 C GLU A 69 6.142 6.410 -5.905 1.00 0.00 C ATOM 1108 O GLU A 69 5.476 7.270 -5.329 1.00 0.00 O ATOM 1109 CB GLU A 69 7.826 4.783 -4.968 1.00 0.00 C ATOM 1110 CG GLU A 69 8.141 5.069 -3.499 1.00 0.00 C ATOM 1111 CD GLU A 69 8.922 6.377 -3.350 1.00 0.00 C ATOM 1112 OE1 GLU A 69 8.280 7.441 -3.489 1.00 0.00 O ATOM 1113 OE2 GLU A 69 10.144 6.283 -3.101 1.00 0.00 O ATOM 0 H GLU A 69 6.506 3.360 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 69 5.808 5.005 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.080 3.750 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.442 5.416 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.214 5.128 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.720 4.246 -3.081 1.00 0.00 H new ATOM 1120 N ALA A 70 6.726 6.577 -7.081 1.00 0.00 N ATOM 1121 CA ALA A 70 6.616 7.835 -7.800 1.00 0.00 C ATOM 1122 C ALA A 70 5.162 8.310 -7.767 1.00 0.00 C ATOM 1123 O ALA A 70 4.896 9.492 -7.552 1.00 0.00 O ATOM 1124 CB ALA A 70 7.138 7.657 -9.227 1.00 0.00 C ATOM 0 H ALA A 70 7.278 5.862 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 70 7.226 8.603 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.055 8.601 -9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.183 7.347 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.549 6.895 -9.738 1.00 0.00 H new ATOM 1130 N ALA A 71 4.258 7.365 -7.983 1.00 0.00 N ATOM 1131 CA ALA A 71 2.839 7.672 -7.980 1.00 0.00 C ATOM 1132 C ALA A 71 2.412 8.080 -6.569 1.00 0.00 C ATOM 1133 O ALA A 71 1.728 9.086 -6.388 1.00 0.00 O ATOM 1134 CB ALA A 71 2.054 6.467 -8.502 1.00 0.00 C ATOM 0 H ALA A 71 4.482 6.386 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 71 2.627 8.511 -8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.989 6.698 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.373 6.237 -9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.240 5.606 -7.860 1.00 0.00 H new ATOM 1140 N PHE A 72 2.832 7.277 -5.603 1.00 0.00 N ATOM 1141 CA PHE A 72 2.503 7.540 -4.212 1.00 0.00 C ATOM 1142 C PHE A 72 2.816 8.990 -3.840 1.00 0.00 C ATOM 1143 O PHE A 72 2.268 9.520 -2.875 1.00 0.00 O ATOM 1144 CB PHE A 72 3.369 6.608 -3.362 1.00 0.00 C ATOM 1145 CG PHE A 72 2.688 6.123 -2.081 1.00 0.00 C ATOM 1146 CD1 PHE A 72 1.443 5.579 -2.137 1.00 0.00 C ATOM 1147 CD2 PHE A 72 3.328 6.234 -0.887 1.00 0.00 C ATOM 1148 CE1 PHE A 72 0.810 5.128 -0.949 1.00 0.00 C ATOM 1149 CE2 PHE A 72 2.696 5.783 0.303 1.00 0.00 C ATOM 1150 CZ PHE A 72 1.451 5.239 0.246 1.00 0.00 C ATOM 0 H PHE A 72 3.398 6.443 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 72 1.439 7.371 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.650 5.743 -3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.291 7.126 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.935 5.490 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.317 6.665 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.179 4.697 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.204 5.872 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.971 4.895 1.150 1.00 0.00 H new ATOM 1160 N LYS A 73 3.697 9.592 -4.625 1.00 0.00 N ATOM 1161 CA LYS A 73 4.091 10.971 -4.391 1.00 0.00 C ATOM 1162 C LYS A 73 3.171 11.901 -5.184 1.00 0.00 C ATOM 1163 O LYS A 73 2.931 13.037 -4.776 1.00 0.00 O ATOM 1164 CB LYS A 73 5.577 11.164 -4.701 1.00 0.00 C ATOM 1165 CG LYS A 73 6.094 12.478 -4.112 1.00 0.00 C ATOM 1166 CD LYS A 73 6.954 13.234 -5.128 1.00 0.00 C ATOM 1167 CE LYS A 73 8.156 13.889 -4.447 1.00 0.00 C ATOM 1168 NZ LYS A 73 8.855 14.793 -5.389 1.00 0.00 N ATOM 0 H LYS A 73 4.150 9.150 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 73 3.973 11.228 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.148 10.329 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.731 11.160 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.252 13.100 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.679 12.273 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.299 12.547 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.352 13.996 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.825 14.450 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.844 13.121 -4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.669 15.230 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.187 14.249 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.201 15.536 -5.707 1.00 0.00 H new ATOM 1182 N LYS A 74 2.683 11.386 -6.302 1.00 0.00 N ATOM 1183 CA LYS A 74 1.794 12.157 -7.156 1.00 0.00 C ATOM 1184 C LYS A 74 0.343 11.828 -6.801 1.00 0.00 C ATOM 1185 O LYS A 74 -0.554 12.002 -7.626 1.00 0.00 O ATOM 1186 CB LYS A 74 2.136 11.928 -8.629 1.00 0.00 C ATOM 1187 CG LYS A 74 1.278 10.809 -9.223 1.00 0.00 C ATOM 1188 CD LYS A 74 2.023 10.080 -10.342 1.00 0.00 C ATOM 1189 CE LYS A 74 1.967 10.875 -11.648 1.00 0.00 C ATOM 1190 NZ LYS A 74 2.996 11.939 -11.650 1.00 0.00 N ATOM 0 H LYS A 74 2.886 10.444 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 74 1.930 13.225 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.978 12.849 -9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.191 11.673 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.006 10.100 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.349 11.226 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.062 9.925 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.584 9.094 -10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.124 10.207 -12.495 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.978 11.317 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.461 11.971 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.547 12.857 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.704 11.738 -10.915 1.00 0.00 H new ATOM 1204 N LEU A 75 0.158 11.362 -5.576 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.171 11.008 -5.103 1.00 0.00 C ATOM 1206 C LEU A 75 -1.338 11.486 -3.659 1.00 0.00 C ATOM 1207 O LEU A 75 -0.368 11.888 -3.018 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.424 9.510 -5.287 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.261 8.973 -6.711 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.184 7.445 -6.714 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -2.373 9.493 -7.625 1.00 0.00 C ATOM 0 H LEU A 75 0.905 11.221 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.933 11.512 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.744 8.964 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.437 9.288 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.317 9.344 -7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.068 7.089 -7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.330 7.123 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.099 7.034 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.233 9.096 -8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.341 9.172 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.338 10.582 -7.657 1.00 0.00 H new ATOM 1223 N THR A 76 -2.575 11.429 -3.191 1.00 0.00 N ATOM 1224 CA THR A 76 -2.883 11.852 -1.834 1.00 0.00 C ATOM 1225 C THR A 76 -3.998 10.986 -1.245 1.00 0.00 C ATOM 1226 O THR A 76 -4.505 10.083 -1.910 1.00 0.00 O ATOM 1227 CB THR A 76 -3.225 13.342 -1.870 1.00 0.00 C ATOM 1228 OG1 THR A 76 -3.055 13.771 -0.522 1.00 0.00 O ATOM 1229 CG2 THR A 76 -4.707 13.595 -2.156 1.00 0.00 C ATOM 0 H THR A 76 -3.377 11.096 -3.726 1.00 0.00 H new ATOM 0 HA THR A 76 -2.027 11.716 -1.173 1.00 0.00 H new ATOM 0 HB THR A 76 -2.618 13.835 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.255 14.728 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.897 14.668 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.969 13.167 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.312 13.130 -1.378 1.00 0.00 H new ATOM 1237 N ARG A 77 -4.347 11.291 -0.004 1.00 0.00 N ATOM 1238 CA ARG A 77 -5.392 10.551 0.682 1.00 0.00 C ATOM 1239 C ARG A 77 -6.531 10.218 -0.286 1.00 0.00 C ATOM 1240 O ARG A 77 -7.234 9.225 -0.103 1.00 0.00 O ATOM 1241 CB ARG A 77 -5.952 11.353 1.860 1.00 0.00 C ATOM 1242 CG ARG A 77 -6.223 10.445 3.062 1.00 0.00 C ATOM 1243 CD ARG A 77 -7.374 10.989 3.909 1.00 0.00 C ATOM 1244 NE ARG A 77 -7.000 10.970 5.342 1.00 0.00 N ATOM 1245 CZ ARG A 77 -6.182 11.863 5.915 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -5.649 12.851 5.182 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -5.899 11.769 7.222 1.00 0.00 N ATOM 0 H ARG A 77 -3.925 12.040 0.544 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.951 9.629 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.246 12.134 2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.874 11.851 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.464 9.440 2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.323 10.365 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.614 12.006 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.269 10.388 3.750 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.389 10.232 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.866 12.923 4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.026 13.531 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.306 11.018 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.276 12.448 7.659 1.00 0.00 H new ATOM 1261 N LYS A 78 -6.675 11.067 -1.293 1.00 0.00 N ATOM 1262 CA LYS A 78 -7.714 10.875 -2.289 1.00 0.00 C ATOM 1263 C LYS A 78 -7.123 10.161 -3.506 1.00 0.00 C ATOM 1264 O LYS A 78 -7.364 8.972 -3.712 1.00 0.00 O ATOM 1265 CB LYS A 78 -8.387 12.207 -2.624 1.00 0.00 C ATOM 1266 CG LYS A 78 -9.900 12.126 -2.411 1.00 0.00 C ATOM 1267 CD LYS A 78 -10.572 11.344 -3.542 1.00 0.00 C ATOM 1268 CE LYS A 78 -11.819 12.075 -4.047 1.00 0.00 C ATOM 1269 NZ LYS A 78 -11.668 12.436 -5.473 1.00 0.00 N ATOM 0 H LYS A 78 -6.089 11.889 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.504 10.235 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.970 12.997 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.176 12.475 -3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.111 11.645 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.318 13.131 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.868 11.208 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.846 10.350 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.696 11.441 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.985 12.974 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.523 12.931 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.843 13.058 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.532 11.573 -6.037 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.358 10.917 -4.282 1.00 0.00 N ATOM 1284 CA GLN A 79 -5.730 10.371 -5.473 1.00 0.00 C ATOM 1285 C GLN A 79 -5.358 8.903 -5.253 1.00 0.00 C ATOM 1286 O GLN A 79 -5.476 8.086 -6.165 1.00 0.00 O ATOM 1287 CB GLN A 79 -4.503 11.193 -5.872 1.00 0.00 C ATOM 1288 CG GLN A 79 -4.695 11.833 -7.249 1.00 0.00 C ATOM 1289 CD GLN A 79 -5.491 13.135 -7.142 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -5.054 14.113 -6.557 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -6.679 13.093 -7.737 1.00 0.00 N ATOM 0 H GLN A 79 -6.160 11.902 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.446 10.425 -6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.323 11.969 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.621 10.553 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.723 12.033 -7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.215 11.138 -7.908 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.983 12.242 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.286 13.912 -7.721 1.00 0.00 H new ATOM 1300 N LYS A 80 -4.918 8.613 -4.037 1.00 0.00 N ATOM 1301 CA LYS A 80 -4.528 7.258 -3.686 1.00 0.00 C ATOM 1302 C LYS A 80 -5.765 6.357 -3.701 1.00 0.00 C ATOM 1303 O LYS A 80 -5.856 5.437 -4.512 1.00 0.00 O ATOM 1304 CB LYS A 80 -3.774 7.247 -2.354 1.00 0.00 C ATOM 1305 CG LYS A 80 -2.286 7.535 -2.564 1.00 0.00 C ATOM 1306 CD LYS A 80 -1.786 8.585 -1.570 1.00 0.00 C ATOM 1307 CE LYS A 80 -0.258 8.625 -1.538 1.00 0.00 C ATOM 1308 NZ LYS A 80 0.250 8.052 -0.270 1.00 0.00 N ATOM 0 H LYS A 80 -4.823 9.293 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.832 6.857 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.201 7.993 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.896 6.277 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.713 6.615 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.120 7.885 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.173 9.566 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.168 8.360 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.144 8.066 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.087 9.654 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.961 8.691 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.538 7.937 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.684 7.126 -0.457 1.00 0.00 H new ATOM 1322 N GLU A 81 -6.685 6.653 -2.795 1.00 0.00 N ATOM 1323 CA GLU A 81 -7.911 5.880 -2.693 1.00 0.00 C ATOM 1324 C GLU A 81 -8.397 5.473 -4.086 1.00 0.00 C ATOM 1325 O GLU A 81 -8.951 4.388 -4.261 1.00 0.00 O ATOM 1326 CB GLU A 81 -8.991 6.662 -1.943 1.00 0.00 C ATOM 1327 CG GLU A 81 -9.795 5.741 -1.025 1.00 0.00 C ATOM 1328 CD GLU A 81 -9.341 5.882 0.430 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -8.151 5.596 0.683 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -10.194 6.275 1.255 1.00 0.00 O ATOM 0 H GLU A 81 -6.606 7.418 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.702 4.975 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.529 7.455 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.659 7.143 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.856 5.980 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.677 4.707 -1.348 1.00 0.00 H new ATOM 1337 N GLN A 82 -8.173 6.363 -5.040 1.00 0.00 N ATOM 1338 CA GLN A 82 -8.582 6.110 -6.412 1.00 0.00 C ATOM 1339 C GLN A 82 -7.532 5.259 -7.130 1.00 0.00 C ATOM 1340 O GLN A 82 -7.862 4.243 -7.740 1.00 0.00 O ATOM 1341 CB GLN A 82 -8.831 7.421 -7.162 1.00 0.00 C ATOM 1342 CG GLN A 82 -9.956 7.260 -8.186 1.00 0.00 C ATOM 1343 CD GLN A 82 -11.234 7.951 -7.708 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -11.783 8.822 -8.364 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -11.680 7.515 -6.534 1.00 0.00 N ATOM 0 H GLN A 82 -7.713 7.261 -4.891 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.521 5.557 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.090 8.207 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.917 7.735 -7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.646 7.682 -9.142 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.152 6.201 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.173 6.783 -6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.529 7.912 -6.131 1.00 0.00 H new ATOM 1354 N TYR A 83 -6.287 5.706 -7.033 1.00 0.00 N ATOM 1355 CA TYR A 83 -5.188 5.000 -7.666 1.00 0.00 C ATOM 1356 C TYR A 83 -5.354 3.484 -7.522 1.00 0.00 C ATOM 1357 O TYR A 83 -5.003 2.729 -8.427 1.00 0.00 O ATOM 1358 CB TYR A 83 -3.924 5.434 -6.923 1.00 0.00 C ATOM 1359 CG TYR A 83 -2.747 4.469 -7.080 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -2.519 3.849 -8.291 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -1.912 4.219 -6.009 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -1.411 2.942 -8.438 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -0.805 3.311 -6.156 1.00 0.00 C ATOM 1364 CZ TYR A 83 -0.609 2.717 -7.364 1.00 0.00 C ATOM 1365 OH TYR A 83 0.439 1.860 -7.502 1.00 0.00 O ATOM 0 H TYR A 83 -6.017 6.548 -6.525 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.147 5.230 -8.731 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -3.624 6.418 -7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.156 5.539 -5.863 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.172 4.044 -9.129 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.090 4.705 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -1.221 2.451 -9.381 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.145 3.106 -5.326 1.00 0.00 H new ATOM 0 HH TYR A 83 0.299 1.078 -6.929 1.00 0.00 H new ATOM 1375 N LEU A 84 -5.890 3.087 -6.378 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.107 1.676 -6.104 1.00 0.00 C ATOM 1377 C LEU A 84 -7.479 1.263 -6.640 1.00 0.00 C ATOM 1378 O LEU A 84 -7.638 0.165 -7.170 1.00 0.00 O ATOM 1379 CB LEU A 84 -5.916 1.384 -4.615 1.00 0.00 C ATOM 1380 CG LEU A 84 -4.541 1.727 -4.036 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -4.570 3.075 -3.314 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -4.032 0.603 -3.130 1.00 0.00 C ATOM 0 H LEU A 84 -6.181 3.717 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.365 1.069 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.672 1.937 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.106 0.324 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.836 1.820 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.581 3.294 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.858 3.858 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.292 3.035 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.054 0.872 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.731 0.455 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.949 -0.319 -3.706 1.00 0.00 H new ATOM 1394 N LYS A 85 -8.437 2.165 -6.483 1.00 0.00 N ATOM 1395 CA LYS A 85 -9.790 1.907 -6.944 1.00 0.00 C ATOM 1396 C LYS A 85 -9.758 1.543 -8.430 1.00 0.00 C ATOM 1397 O LYS A 85 -10.213 0.469 -8.820 1.00 0.00 O ATOM 1398 CB LYS A 85 -10.702 3.094 -6.621 1.00 0.00 C ATOM 1399 CG LYS A 85 -12.159 2.648 -6.497 1.00 0.00 C ATOM 1400 CD LYS A 85 -12.758 3.096 -5.161 1.00 0.00 C ATOM 1401 CE LYS A 85 -13.791 4.204 -5.368 1.00 0.00 C ATOM 1402 NZ LYS A 85 -14.605 4.390 -4.145 1.00 0.00 N ATOM 0 H LYS A 85 -8.303 3.075 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.216 1.054 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.381 3.561 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.614 3.848 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.742 3.064 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.219 1.563 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.226 2.246 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.965 3.452 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.287 5.137 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.439 3.953 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.301 5.146 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.101 3.504 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.985 4.651 -3.352 1.00 0.00 H new ATOM 1416 N THR A 86 -9.217 2.460 -9.218 1.00 0.00 N ATOM 1417 CA THR A 86 -9.119 2.248 -10.653 1.00 0.00 C ATOM 1418 C THR A 86 -8.581 0.848 -10.951 1.00 0.00 C ATOM 1419 O THR A 86 -8.959 0.233 -11.947 1.00 0.00 O ATOM 1420 CB THR A 86 -8.256 3.368 -11.238 1.00 0.00 C ATOM 1421 OG1 THR A 86 -8.464 3.270 -12.644 1.00 0.00 O ATOM 1422 CG2 THR A 86 -6.758 3.105 -11.063 1.00 0.00 C ATOM 0 H THR A 86 -8.842 3.351 -8.891 1.00 0.00 H new ATOM 0 HA THR A 86 -10.100 2.292 -11.127 1.00 0.00 H new ATOM 0 HB THR A 86 -8.517 4.313 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.942 3.962 -13.101 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.191 3.929 -11.495 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.525 3.021 -10.002 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.490 2.177 -11.568 1.00 0.00 H new ATOM 1430 N PHE A 87 -7.708 0.384 -10.068 1.00 0.00 N ATOM 1431 CA PHE A 87 -7.114 -0.933 -10.224 1.00 0.00 C ATOM 1432 C PHE A 87 -8.035 -2.019 -9.665 1.00 0.00 C ATOM 1433 O PHE A 87 -8.235 -3.055 -10.298 1.00 0.00 O ATOM 1434 CB PHE A 87 -5.807 -0.931 -9.430 1.00 0.00 C ATOM 1435 CG PHE A 87 -5.247 -2.327 -9.148 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -4.944 -3.158 -10.181 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -5.053 -2.737 -7.867 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -4.424 -4.454 -9.922 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -4.533 -4.033 -7.606 1.00 0.00 C ATOM 1440 CZ PHE A 87 -4.230 -4.864 -8.639 1.00 0.00 C ATOM 0 H PHE A 87 -7.398 0.897 -9.242 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.948 -1.144 -11.280 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.061 -0.356 -9.979 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.971 -0.418 -8.482 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.099 -2.832 -11.199 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.294 -2.077 -7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.183 -5.114 -10.743 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.378 -4.358 -6.588 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.835 -5.850 -8.441 1.00 0.00 H new ATOM 1450 N HIS A 88 -8.573 -1.744 -8.485 1.00 0.00 N ATOM 1451 CA HIS A 88 -9.469 -2.685 -7.834 1.00 0.00 C ATOM 1452 C HIS A 88 -10.700 -2.915 -8.714 1.00 0.00 C ATOM 1453 O HIS A 88 -11.125 -4.053 -8.909 1.00 0.00 O ATOM 1454 CB HIS A 88 -9.827 -2.208 -6.425 1.00 0.00 C ATOM 1455 CG HIS A 88 -10.907 -3.025 -5.757 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -10.656 -3.870 -4.690 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -12.244 -3.115 -6.014 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -11.797 -4.440 -4.329 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -12.780 -3.971 -5.151 1.00 0.00 N ATOM 0 H HIS A 88 -8.406 -0.884 -7.963 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.968 -3.646 -7.713 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.931 -2.233 -5.805 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.151 -1.168 -6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -12.776 -2.581 -6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.926 -5.150 -3.526 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -13.765 -4.234 -5.110 1.00 0.00 H new ATOM 1467 N LEU A 89 -11.238 -1.816 -9.221 1.00 0.00 N ATOM 1468 CA LEU A 89 -12.411 -1.883 -10.075 1.00 0.00 C ATOM 1469 C LEU A 89 -12.200 -2.958 -11.142 1.00 0.00 C ATOM 1470 O LEU A 89 -12.912 -3.960 -11.169 1.00 0.00 O ATOM 1471 CB LEU A 89 -12.736 -0.503 -10.649 1.00 0.00 C ATOM 1472 CG LEU A 89 -13.195 0.552 -9.640 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -12.858 1.963 -10.130 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -14.684 0.396 -9.322 1.00 0.00 C ATOM 0 H LEU A 89 -10.883 -0.874 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.287 -2.176 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.850 -0.127 -11.161 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.515 -0.619 -11.403 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.649 0.395 -8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.195 2.694 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.780 2.054 -10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.359 2.147 -11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.984 1.158 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.265 0.511 -10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.864 -0.593 -8.900 1.00 0.00 H new ATOM 1486 N GLU A 90 -11.216 -2.714 -11.996 1.00 0.00 N ATOM 1487 CA GLU A 90 -10.901 -3.650 -13.063 1.00 0.00 C ATOM 1488 C GLU A 90 -10.858 -5.080 -12.519 1.00 0.00 C ATOM 1489 O GLU A 90 -10.579 -5.290 -11.339 1.00 0.00 O ATOM 1490 CB GLU A 90 -9.582 -3.281 -13.742 1.00 0.00 C ATOM 1491 CG GLU A 90 -9.684 -3.446 -15.261 1.00 0.00 C ATOM 1492 CD GLU A 90 -8.406 -2.960 -15.951 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -7.321 -3.370 -15.489 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -8.547 -2.190 -16.926 1.00 0.00 O ATOM 0 H GLU A 90 -10.627 -1.882 -11.971 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.687 -3.593 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.320 -2.251 -13.501 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.781 -3.912 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.858 -4.494 -15.506 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.540 -2.884 -15.635 1.00 0.00 H new ATOM 1501 N HIS A 91 -11.135 -6.024 -13.405 1.00 0.00 N ATOM 1502 CA HIS A 91 -11.130 -7.428 -13.029 1.00 0.00 C ATOM 1503 C HIS A 91 -11.343 -8.292 -14.273 1.00 0.00 C ATOM 1504 O HIS A 91 -12.016 -7.876 -15.215 1.00 0.00 O ATOM 1505 CB HIS A 91 -12.164 -7.700 -11.934 1.00 0.00 C ATOM 1506 CG HIS A 91 -13.594 -7.655 -12.414 1.00 0.00 C ATOM 1507 ND1 HIS A 91 -14.164 -6.522 -12.972 1.00 0.00 N ATOM 1508 CD2 HIS A 91 -14.565 -8.615 -12.417 1.00 0.00 C ATOM 1509 CE1 HIS A 91 -15.420 -6.799 -13.289 1.00 0.00 C ATOM 1510 NE2 HIS A 91 -15.667 -8.096 -12.945 1.00 0.00 N ATOM 0 H HIS A 91 -11.365 -5.845 -14.383 1.00 0.00 H new ATOM 0 HA HIS A 91 -10.161 -7.693 -12.607 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.968 -8.680 -11.499 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.036 -6.967 -11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.455 -9.625 -12.052 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.125 -6.117 -13.741 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.552 -8.586 -13.072 1.00 0.00 H new ATOM 1518 N HIS A 92 -10.757 -9.480 -14.236 1.00 0.00 N ATOM 1519 CA HIS A 92 -10.874 -10.407 -15.349 1.00 0.00 C ATOM 1520 C HIS A 92 -10.091 -9.870 -16.548 1.00 0.00 C ATOM 1521 O HIS A 92 -10.540 -8.946 -17.225 1.00 0.00 O ATOM 1522 CB HIS A 92 -12.343 -10.683 -15.674 1.00 0.00 C ATOM 1523 CG HIS A 92 -12.667 -12.146 -15.862 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -13.885 -12.589 -16.346 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -11.919 -13.261 -15.625 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -13.861 -13.912 -16.394 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -12.642 -14.327 -15.946 1.00 0.00 N ATOM 0 H HIS A 92 -10.200 -9.822 -13.453 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.437 -11.367 -15.075 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.963 -10.285 -14.871 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.611 -10.143 -16.582 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.910 -13.275 -15.241 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -14.665 -14.550 -16.729 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.336 -15.297 -15.870 1.00 0.00 H new ATOM 1535 N HIS A 93 -8.934 -10.474 -16.778 1.00 0.00 N ATOM 1536 CA HIS A 93 -8.084 -10.067 -17.883 1.00 0.00 C ATOM 1537 C HIS A 93 -6.837 -10.955 -17.926 1.00 0.00 C ATOM 1538 O HIS A 93 -6.615 -11.674 -18.899 1.00 0.00 O ATOM 1539 CB HIS A 93 -7.747 -8.578 -17.792 1.00 0.00 C ATOM 1540 CG HIS A 93 -8.376 -7.739 -18.880 1.00 0.00 C ATOM 1541 ND1 HIS A 93 -8.812 -6.443 -18.668 1.00 0.00 N ATOM 1542 CD2 HIS A 93 -8.637 -8.025 -20.188 1.00 0.00 C ATOM 1543 CE1 HIS A 93 -9.311 -5.978 -19.804 1.00 0.00 C ATOM 1544 NE2 HIS A 93 -9.202 -6.961 -20.745 1.00 0.00 N ATOM 0 H HIS A 93 -8.566 -11.242 -16.217 1.00 0.00 H new ATOM 0 HA HIS A 93 -8.618 -10.202 -18.824 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -8.072 -8.201 -16.822 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -6.665 -8.458 -17.834 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.421 -8.959 -20.686 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.730 -4.995 -19.958 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -9.505 -6.890 -21.716 1.00 0.00 H new ATOM 1552 N HIS A 94 -6.057 -10.876 -16.858 1.00 0.00 N ATOM 1553 CA HIS A 94 -4.840 -11.663 -16.762 1.00 0.00 C ATOM 1554 C HIS A 94 -4.797 -12.377 -15.409 1.00 0.00 C ATOM 1555 O HIS A 94 -4.234 -11.860 -14.447 1.00 0.00 O ATOM 1556 CB HIS A 94 -3.608 -10.790 -17.009 1.00 0.00 C ATOM 1557 CG HIS A 94 -2.636 -11.370 -18.010 1.00 0.00 C ATOM 1558 ND1 HIS A 94 -2.301 -10.727 -19.188 1.00 0.00 N ATOM 1559 CD2 HIS A 94 -1.930 -12.537 -17.993 1.00 0.00 C ATOM 1560 CE1 HIS A 94 -1.433 -11.482 -19.845 1.00 0.00 C ATOM 1561 NE2 HIS A 94 -1.205 -12.604 -19.103 1.00 0.00 N ATOM 0 H HIS A 94 -6.244 -10.279 -16.052 1.00 0.00 H new ATOM 0 HA HIS A 94 -4.835 -12.427 -17.539 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.934 -9.810 -17.359 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -3.090 -10.634 -16.063 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.956 -13.280 -17.210 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.985 -11.250 -20.800 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.580 -13.369 -19.359 1.00 0.00 H new ATOM 1569 N HIS A 95 -5.398 -13.557 -15.381 1.00 0.00 N ATOM 1570 CA HIS A 95 -5.437 -14.349 -14.163 1.00 0.00 C ATOM 1571 C HIS A 95 -5.760 -15.805 -14.506 1.00 0.00 C ATOM 1572 O HIS A 95 -6.280 -16.091 -15.584 1.00 0.00 O ATOM 1573 CB HIS A 95 -6.417 -13.748 -13.153 1.00 0.00 C ATOM 1574 CG HIS A 95 -6.082 -14.056 -11.714 1.00 0.00 C ATOM 1575 ND1 HIS A 95 -7.049 -14.220 -10.737 1.00 0.00 N ATOM 1576 CD2 HIS A 95 -4.877 -14.228 -11.096 1.00 0.00 C ATOM 1577 CE1 HIS A 95 -6.443 -14.478 -9.588 1.00 0.00 C ATOM 1578 NE2 HIS A 95 -5.098 -14.481 -9.812 1.00 0.00 N ATOM 0 H HIS A 95 -5.862 -13.984 -16.182 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.457 -14.333 -13.685 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.442 -12.666 -13.286 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.419 -14.119 -13.369 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.909 -14.168 -11.571 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.929 -14.655 -8.640 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.379 -14.650 -9.108 1.00 0.00 H new ATOM 1586 N HIS A 96 -5.437 -16.685 -13.571 1.00 0.00 N ATOM 1587 CA HIS A 96 -5.687 -18.105 -13.761 1.00 0.00 C ATOM 1588 C HIS A 96 -6.842 -18.548 -12.861 1.00 0.00 C ATOM 1589 O HIS A 96 -8.009 -18.353 -13.202 1.00 0.00 O ATOM 1590 CB HIS A 96 -4.410 -18.916 -13.530 1.00 0.00 C ATOM 1591 CG HIS A 96 -4.282 -20.126 -14.424 1.00 0.00 C ATOM 1592 ND1 HIS A 96 -3.126 -20.421 -15.125 1.00 0.00 N ATOM 1593 CD2 HIS A 96 -5.176 -21.112 -14.722 1.00 0.00 C ATOM 1594 CE1 HIS A 96 -3.325 -21.537 -15.811 1.00 0.00 C ATOM 1595 NE2 HIS A 96 -4.597 -21.964 -15.561 1.00 0.00 N ATOM 0 H HIS A 96 -5.004 -16.444 -12.679 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.985 -18.291 -14.793 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.547 -18.269 -13.686 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -4.381 -19.241 -12.490 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -6.184 -21.187 -14.341 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.607 -22.023 -16.455 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -5.031 -22.799 -15.953 1.00 0.00 H new TER 1603 HIS A 96