USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 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 91 HIS : no HD1:sc= -0.191 X(o=-0.45,f=-0.1) USER MOD Set 1.2: A 92 HIS : no HD1:sc= -0.262 X(o=-0.45,f=-0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -4.7! C(o=-4.7!,f=-4.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= 0.0621 (180deg=-1.35!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.557 USER MOD Single : A 7 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 8 TYR OH : rot 113:sc= 0.0379 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -49:sc= -0.78 USER MOD Single : A 15 GLN : amide:sc= -1.05 X(o=-1,f=-1.2) 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 -6:sc= 0.552! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0747 K(o=-0.075,f=-2.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 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 162:sc= -0.26 (180deg=-0.571) USER MOD Single : A 55 HIS : no HD1:sc= -15.9! C(o=-16!,f=-16!) USER MOD Single : A 56 THR OG1 : rot 45:sc= 0.138 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0503 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.819! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00873 X(o=-0.0087,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= 1.04 (180deg=-0.643!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot -117:sc= 0.0357 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= -0.406 X(o=-0.41,f=-0.17) USER MOD Single : A 93 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.006) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.499 -15.782 -3.630 1.00 0.00 N ATOM 2 CA MET A 1 1.258 -15.185 -3.172 1.00 0.00 C ATOM 3 C MET A 1 1.508 -14.216 -2.015 1.00 0.00 C ATOM 4 O MET A 1 1.135 -13.046 -2.089 1.00 0.00 O ATOM 5 CB MET A 1 0.299 -16.286 -2.716 1.00 0.00 C ATOM 6 CG MET A 1 -1.035 -16.196 -3.459 1.00 0.00 C ATOM 7 SD MET A 1 -2.233 -17.280 -2.701 1.00 0.00 S ATOM 8 CE MET A 1 -2.625 -18.330 -4.090 1.00 0.00 C ATOM 0 H1 MET A 1 2.301 -16.435 -4.415 1.00 0.00 H new ATOM 0 H2 MET A 1 3.144 -15.034 -3.956 1.00 0.00 H new ATOM 0 H3 MET A 1 2.942 -16.305 -2.848 1.00 0.00 H new ATOM 0 HA MET A 1 0.819 -14.628 -4.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.751 -17.262 -2.891 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.128 -16.202 -1.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.401 -15.169 -3.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.897 -16.469 -4.505 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.365 -19.071 -3.788 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.028 -17.724 -4.902 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.722 -18.837 -4.429 1.00 0.00 H new ATOM 18 N GLU A 2 2.140 -14.738 -0.974 1.00 0.00 N ATOM 19 CA GLU A 2 2.445 -13.934 0.197 1.00 0.00 C ATOM 20 C GLU A 2 3.838 -14.277 0.727 1.00 0.00 C ATOM 21 O GLU A 2 4.521 -15.140 0.177 1.00 0.00 O ATOM 22 CB GLU A 2 1.384 -14.120 1.283 1.00 0.00 C ATOM 23 CG GLU A 2 0.114 -13.336 0.947 1.00 0.00 C ATOM 24 CD GLU A 2 -1.098 -13.914 1.681 1.00 0.00 C ATOM 25 OE1 GLU A 2 -0.887 -14.446 2.794 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.208 -13.813 1.114 1.00 0.00 O ATOM 0 H GLU A 2 2.449 -15.708 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 2 2.437 -12.884 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.146 -15.179 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.778 -13.787 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.245 -12.289 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.061 -13.363 -0.129 1.00 0.00 H new ATOM 33 N ASN A 3 4.220 -13.584 1.790 1.00 0.00 N ATOM 34 CA ASN A 3 5.519 -13.804 2.403 1.00 0.00 C ATOM 35 C ASN A 3 6.616 -13.373 1.428 1.00 0.00 C ATOM 36 O ASN A 3 6.334 -12.745 0.408 1.00 0.00 O ATOM 37 CB ASN A 3 5.731 -15.285 2.727 1.00 0.00 C ATOM 38 CG ASN A 3 4.420 -15.944 3.161 1.00 0.00 C ATOM 39 OD1 ASN A 3 3.568 -16.281 2.355 1.00 0.00 O ATOM 40 ND2 ASN A 3 4.306 -16.108 4.475 1.00 0.00 N ATOM 0 H ASN A 3 3.651 -12.869 2.243 1.00 0.00 H new ATOM 0 HA ASN A 3 5.561 -13.223 3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.128 -15.799 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.472 -15.385 3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 3 3.467 -16.539 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.057 -15.803 5.094 1.00 0.00 H new ATOM 47 N LYS A 4 7.845 -13.728 1.775 1.00 0.00 N ATOM 48 CA LYS A 4 8.985 -13.384 0.943 1.00 0.00 C ATOM 49 C LYS A 4 8.657 -13.695 -0.520 1.00 0.00 C ATOM 50 O LYS A 4 8.823 -14.827 -0.969 1.00 0.00 O ATOM 51 CB LYS A 4 10.248 -14.083 1.451 1.00 0.00 C ATOM 52 CG LYS A 4 11.387 -13.964 0.435 1.00 0.00 C ATOM 53 CD LYS A 4 11.905 -15.346 0.028 1.00 0.00 C ATOM 54 CE LYS A 4 12.125 -15.424 -1.483 1.00 0.00 C ATOM 55 NZ LYS A 4 13.471 -14.920 -1.838 1.00 0.00 N ATOM 0 H LYS A 4 8.076 -14.250 2.620 1.00 0.00 H new ATOM 0 HA LYS A 4 9.192 -12.316 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.555 -13.643 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.034 -15.135 1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.037 -13.428 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.201 -13.378 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.840 -15.555 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.192 -16.111 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.016 -16.455 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.363 -14.838 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.604 -14.980 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.562 -13.929 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.194 -15.496 -1.362 1.00 0.00 H new ATOM 69 N LYS A 5 8.198 -12.669 -1.220 1.00 0.00 N ATOM 70 CA LYS A 5 7.845 -12.818 -2.622 1.00 0.00 C ATOM 71 C LYS A 5 7.352 -11.475 -3.165 1.00 0.00 C ATOM 72 O LYS A 5 6.187 -11.120 -2.988 1.00 0.00 O ATOM 73 CB LYS A 5 6.844 -13.960 -2.804 1.00 0.00 C ATOM 74 CG LYS A 5 7.163 -14.775 -4.059 1.00 0.00 C ATOM 75 CD LYS A 5 7.649 -16.178 -3.692 1.00 0.00 C ATOM 76 CE LYS A 5 9.169 -16.204 -3.520 1.00 0.00 C ATOM 77 NZ LYS A 5 9.564 -17.251 -2.552 1.00 0.00 N ATOM 0 H LYS A 5 8.062 -11.731 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 5 8.721 -13.097 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.865 -14.610 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.834 -13.555 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.274 -14.846 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.927 -14.263 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.169 -16.503 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.355 -16.883 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.646 -16.391 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.518 -15.231 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.494 -17.635 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.618 -16.840 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.859 -18.015 -2.560 1.00 0.00 H new ATOM 91 N SER A 6 8.262 -10.764 -3.814 1.00 0.00 N ATOM 92 CA SER A 6 7.935 -9.469 -4.383 1.00 0.00 C ATOM 93 C SER A 6 7.634 -8.468 -3.266 1.00 0.00 C ATOM 94 O SER A 6 7.533 -8.845 -2.100 1.00 0.00 O ATOM 95 CB SER A 6 6.744 -9.572 -5.339 1.00 0.00 C ATOM 96 OG SER A 6 5.835 -8.487 -5.178 1.00 0.00 O ATOM 0 H SER A 6 9.227 -11.061 -3.958 1.00 0.00 H new ATOM 0 HA SER A 6 8.795 -9.119 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.105 -9.593 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.220 -10.512 -5.166 1.00 0.00 H new ATOM 0 HG SER A 6 5.090 -8.588 -5.807 1.00 0.00 H new ATOM 102 N HIS A 7 7.496 -7.210 -3.663 1.00 0.00 N ATOM 103 CA HIS A 7 7.210 -6.152 -2.710 1.00 0.00 C ATOM 104 C HIS A 7 5.706 -5.867 -2.698 1.00 0.00 C ATOM 105 O HIS A 7 5.135 -5.489 -3.719 1.00 0.00 O ATOM 106 CB HIS A 7 8.047 -4.907 -3.011 1.00 0.00 C ATOM 107 CG HIS A 7 9.485 -5.012 -2.564 1.00 0.00 C ATOM 108 ND1 HIS A 7 10.553 -4.775 -3.413 1.00 0.00 N ATOM 109 CD2 HIS A 7 10.020 -5.328 -1.350 1.00 0.00 C ATOM 110 CE1 HIS A 7 11.674 -4.946 -2.729 1.00 0.00 C ATOM 111 NE2 HIS A 7 11.343 -5.289 -1.453 1.00 0.00 N ATOM 0 H HIS A 7 7.577 -6.901 -4.632 1.00 0.00 H new ATOM 0 HA HIS A 7 7.493 -6.474 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.024 -4.717 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.588 -4.046 -2.524 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.462 -5.569 -0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 7 12.676 -4.833 -3.116 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.003 -5.484 -0.700 1.00 0.00 H new ATOM 119 N TYR A 8 5.109 -6.061 -1.532 1.00 0.00 N ATOM 120 CA TYR A 8 3.683 -5.829 -1.373 1.00 0.00 C ATOM 121 C TYR A 8 3.420 -4.538 -0.595 1.00 0.00 C ATOM 122 O TYR A 8 3.568 -4.504 0.626 1.00 0.00 O ATOM 123 CB TYR A 8 3.151 -7.014 -0.566 1.00 0.00 C ATOM 124 CG TYR A 8 2.647 -8.176 -1.425 1.00 0.00 C ATOM 125 CD1 TYR A 8 3.549 -9.003 -2.064 1.00 0.00 C ATOM 126 CD2 TYR A 8 1.292 -8.399 -1.560 1.00 0.00 C ATOM 127 CE1 TYR A 8 3.076 -10.096 -2.872 1.00 0.00 C ATOM 128 CE2 TYR A 8 0.819 -9.492 -2.368 1.00 0.00 C ATOM 129 CZ TYR A 8 1.734 -10.287 -2.984 1.00 0.00 C ATOM 130 OH TYR A 8 1.286 -11.320 -3.748 1.00 0.00 O ATOM 0 H TYR A 8 5.586 -6.376 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 8 3.199 -5.734 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.941 -7.377 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.338 -6.669 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.610 -8.830 -1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.586 -7.753 -1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.771 -10.750 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.239 -9.677 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 8 0.849 -11.985 -3.176 1.00 0.00 H new ATOM 140 N PHE A 9 3.035 -3.508 -1.333 1.00 0.00 N ATOM 141 CA PHE A 9 2.751 -2.218 -0.728 1.00 0.00 C ATOM 142 C PHE A 9 1.310 -2.159 -0.217 1.00 0.00 C ATOM 143 O PHE A 9 0.367 -2.127 -1.007 1.00 0.00 O ATOM 144 CB PHE A 9 2.936 -1.161 -1.817 1.00 0.00 C ATOM 145 CG PHE A 9 3.071 0.266 -1.284 1.00 0.00 C ATOM 146 CD1 PHE A 9 2.060 0.822 -0.566 1.00 0.00 C ATOM 147 CD2 PHE A 9 4.203 0.979 -1.529 1.00 0.00 C ATOM 148 CE1 PHE A 9 2.185 2.148 -0.070 1.00 0.00 C ATOM 149 CE2 PHE A 9 4.329 2.304 -1.034 1.00 0.00 C ATOM 150 CZ PHE A 9 3.316 2.860 -0.315 1.00 0.00 C ATOM 0 H PHE A 9 2.913 -3.540 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 9 3.417 -2.050 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.824 -1.406 -2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.087 -1.204 -2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.161 0.256 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.006 0.537 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.382 2.589 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.228 2.870 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.411 3.868 0.061 1.00 0.00 H new ATOM 160 N TYR A 10 1.183 -2.145 1.103 1.00 0.00 N ATOM 161 CA TYR A 10 -0.127 -2.089 1.728 1.00 0.00 C ATOM 162 C TYR A 10 -0.287 -0.812 2.555 1.00 0.00 C ATOM 163 O TYR A 10 0.496 -0.557 3.469 1.00 0.00 O ATOM 164 CB TYR A 10 -0.200 -3.298 2.663 1.00 0.00 C ATOM 165 CG TYR A 10 -0.839 -4.537 2.030 1.00 0.00 C ATOM 166 CD1 TYR A 10 -0.694 -4.773 0.678 1.00 0.00 C ATOM 167 CD2 TYR A 10 -1.561 -5.416 2.811 1.00 0.00 C ATOM 168 CE1 TYR A 10 -1.296 -5.939 0.082 1.00 0.00 C ATOM 169 CE2 TYR A 10 -2.163 -6.581 2.215 1.00 0.00 C ATOM 170 CZ TYR A 10 -2.000 -6.785 0.881 1.00 0.00 C ATOM 171 OH TYR A 10 -2.569 -7.885 0.317 1.00 0.00 O ATOM 0 H TYR A 10 1.966 -2.171 1.756 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.912 -2.095 0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.808 -3.550 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.768 -3.023 3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.130 -4.084 0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.675 -5.231 3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.191 -6.136 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.731 -7.277 2.815 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.040 -8.399 1.006 1.00 0.00 H new ATOM 181 N VAL A 11 -1.305 -0.042 2.204 1.00 0.00 N ATOM 182 CA VAL A 11 -1.577 1.204 2.902 1.00 0.00 C ATOM 183 C VAL A 11 -2.525 0.931 4.073 1.00 0.00 C ATOM 184 O VAL A 11 -3.721 0.728 3.874 1.00 0.00 O ATOM 185 CB VAL A 11 -2.123 2.245 1.921 1.00 0.00 C ATOM 186 CG1 VAL A 11 -2.080 3.647 2.531 1.00 0.00 C ATOM 187 CG2 VAL A 11 -1.363 2.200 0.595 1.00 0.00 C ATOM 0 H VAL A 11 -1.952 -0.256 1.445 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.658 1.618 3.317 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.165 2.000 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.473 4.368 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.686 3.668 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.050 3.905 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.771 2.949 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.308 2.408 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.468 1.211 0.149 1.00 0.00 H new ATOM 197 N LEU A 12 -1.953 0.935 5.268 1.00 0.00 N ATOM 198 CA LEU A 12 -2.730 0.690 6.471 1.00 0.00 C ATOM 199 C LEU A 12 -3.443 1.980 6.883 1.00 0.00 C ATOM 200 O LEU A 12 -2.947 3.076 6.626 1.00 0.00 O ATOM 201 CB LEU A 12 -1.846 0.100 7.570 1.00 0.00 C ATOM 202 CG LEU A 12 -1.248 -1.279 7.281 1.00 0.00 C ATOM 203 CD1 LEU A 12 -0.253 -1.684 8.369 1.00 0.00 C ATOM 204 CD2 LEU A 12 -2.349 -2.325 7.094 1.00 0.00 C ATOM 0 H LEU A 12 -0.960 1.104 5.429 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.502 -0.056 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.029 0.795 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.434 0.035 8.486 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.695 -1.222 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.157 -2.667 8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.556 -0.955 8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.762 -1.719 9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.898 -3.296 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.949 -2.388 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.985 -2.038 6.257 1.00 0.00 H new ATOM 216 N LEU A 13 -4.596 1.806 7.512 1.00 0.00 N ATOM 217 CA LEU A 13 -5.383 2.942 7.961 1.00 0.00 C ATOM 218 C LEU A 13 -5.799 2.724 9.417 1.00 0.00 C ATOM 219 O LEU A 13 -6.586 1.826 9.714 1.00 0.00 O ATOM 220 CB LEU A 13 -6.559 3.186 7.015 1.00 0.00 C ATOM 221 CG LEU A 13 -7.887 3.562 7.677 1.00 0.00 C ATOM 222 CD1 LEU A 13 -7.797 4.935 8.346 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.040 3.486 6.676 1.00 0.00 C ATOM 0 H LEU A 13 -5.004 0.895 7.721 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.787 3.854 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.283 3.981 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.714 2.285 6.421 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.095 2.835 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.754 5.178 8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.019 4.918 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.554 5.689 7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.971 3.758 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.853 4.175 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.119 2.470 6.288 1.00 0.00 H new ATOM 235 N CYS A 14 -5.254 3.561 10.288 1.00 0.00 N ATOM 236 CA CYS A 14 -5.559 3.472 11.705 1.00 0.00 C ATOM 237 C CYS A 14 -6.991 3.967 11.920 1.00 0.00 C ATOM 238 O CYS A 14 -7.661 4.370 10.970 1.00 0.00 O ATOM 239 CB CYS A 14 -4.552 4.254 12.551 1.00 0.00 C ATOM 240 SG CYS A 14 -3.178 3.157 13.059 1.00 0.00 S ATOM 0 H CYS A 14 -4.602 4.305 10.039 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.481 2.435 12.032 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.163 5.098 11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.045 4.665 13.432 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.662 2.057 13.555 1.00 0.00 H new ATOM 246 N GLN A 15 -7.417 3.919 13.174 1.00 0.00 N ATOM 247 CA GLN A 15 -8.756 4.359 13.526 1.00 0.00 C ATOM 248 C GLN A 15 -8.858 5.882 13.433 1.00 0.00 C ATOM 249 O GLN A 15 -9.700 6.410 12.708 1.00 0.00 O ATOM 250 CB GLN A 15 -9.146 3.866 14.922 1.00 0.00 C ATOM 251 CG GLN A 15 -10.629 3.493 14.977 1.00 0.00 C ATOM 252 CD GLN A 15 -10.849 2.052 14.514 1.00 0.00 C ATOM 253 OE1 GLN A 15 -10.799 1.738 13.335 1.00 0.00 O ATOM 254 NE2 GLN A 15 -11.097 1.198 15.502 1.00 0.00 N ATOM 0 H GLN A 15 -6.859 3.582 13.958 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.458 3.925 12.814 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.539 3.000 15.189 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.935 4.642 15.658 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.000 3.612 15.995 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.202 4.173 14.347 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.124 1.528 16.467 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.260 0.213 15.295 1.00 0.00 H new ATOM 263 N ASP A 16 -7.988 6.547 14.178 1.00 0.00 N ATOM 264 CA ASP A 16 -7.969 8.000 14.190 1.00 0.00 C ATOM 265 C ASP A 16 -7.888 8.516 12.751 1.00 0.00 C ATOM 266 O ASP A 16 -8.493 9.535 12.418 1.00 0.00 O ATOM 267 CB ASP A 16 -6.751 8.529 14.951 1.00 0.00 C ATOM 268 CG ASP A 16 -7.010 8.885 16.416 1.00 0.00 C ATOM 269 OD1 ASP A 16 -6.877 7.969 17.255 1.00 0.00 O ATOM 270 OD2 ASP A 16 -7.334 10.067 16.664 1.00 0.00 O ATOM 0 H ASP A 16 -7.291 6.106 14.778 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.879 8.345 14.681 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.961 7.779 14.909 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.377 9.415 14.438 1.00 0.00 H new ATOM 275 N GLY A 17 -7.137 7.790 11.938 1.00 0.00 N ATOM 276 CA GLY A 17 -6.969 8.161 10.543 1.00 0.00 C ATOM 277 C GLY A 17 -5.496 8.412 10.215 1.00 0.00 C ATOM 278 O GLY A 17 -5.126 9.511 9.803 1.00 0.00 O ATOM 0 H GLY A 17 -6.637 6.946 12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.358 7.369 9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.551 9.058 10.329 1.00 0.00 H new ATOM 282 N SER A 18 -4.695 7.375 10.410 1.00 0.00 N ATOM 283 CA SER A 18 -3.270 7.471 10.141 1.00 0.00 C ATOM 284 C SER A 18 -2.918 6.660 8.892 1.00 0.00 C ATOM 285 O SER A 18 -3.006 5.432 8.899 1.00 0.00 O ATOM 286 CB SER A 18 -2.449 6.984 11.337 1.00 0.00 C ATOM 287 OG SER A 18 -1.284 7.778 11.544 1.00 0.00 O ATOM 0 H SER A 18 -5.005 6.465 10.751 1.00 0.00 H new ATOM 0 HA SER A 18 -3.025 8.519 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.067 7.007 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.157 5.946 11.177 1.00 0.00 H new ATOM 0 HG SER A 18 -0.788 7.436 12.317 1.00 0.00 H new ATOM 293 N PHE A 19 -2.529 7.379 7.849 1.00 0.00 N ATOM 294 CA PHE A 19 -2.164 6.741 6.595 1.00 0.00 C ATOM 295 C PHE A 19 -0.700 6.294 6.614 1.00 0.00 C ATOM 296 O PHE A 19 0.203 7.105 6.422 1.00 0.00 O ATOM 297 CB PHE A 19 -2.352 7.784 5.493 1.00 0.00 C ATOM 298 CG PHE A 19 -3.725 7.736 4.818 1.00 0.00 C ATOM 299 CD1 PHE A 19 -4.830 8.151 5.493 1.00 0.00 C ATOM 300 CD2 PHE A 19 -3.839 7.279 3.543 1.00 0.00 C ATOM 301 CE1 PHE A 19 -6.103 8.105 4.868 1.00 0.00 C ATOM 302 CE2 PHE A 19 -5.113 7.233 2.917 1.00 0.00 C ATOM 303 CZ PHE A 19 -6.217 7.648 3.592 1.00 0.00 C ATOM 0 H PHE A 19 -2.459 8.397 7.846 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.783 5.859 6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.202 8.777 5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.581 7.641 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.739 8.516 6.505 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.961 6.951 3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.981 8.433 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.204 6.868 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.185 7.615 3.115 1.00 0.00 H new ATOM 313 N TYR A 20 -0.513 5.003 6.846 1.00 0.00 N ATOM 314 CA TYR A 20 0.824 4.437 6.891 1.00 0.00 C ATOM 315 C TYR A 20 0.921 3.187 6.015 1.00 0.00 C ATOM 316 O TYR A 20 0.487 2.107 6.418 1.00 0.00 O ATOM 317 CB TYR A 20 1.067 4.044 8.349 1.00 0.00 C ATOM 318 CG TYR A 20 2.322 4.670 8.961 1.00 0.00 C ATOM 319 CD1 TYR A 20 3.572 4.246 8.558 1.00 0.00 C ATOM 320 CD2 TYR A 20 2.204 5.657 9.918 1.00 0.00 C ATOM 321 CE1 TYR A 20 4.752 4.835 9.135 1.00 0.00 C ATOM 322 CE2 TYR A 20 3.385 6.246 10.495 1.00 0.00 C ATOM 323 CZ TYR A 20 4.601 5.806 10.074 1.00 0.00 C ATOM 324 OH TYR A 20 5.716 6.361 10.620 1.00 0.00 O ATOM 0 H TYR A 20 -1.265 4.333 7.005 1.00 0.00 H new ATOM 0 HA TYR A 20 1.557 5.156 6.524 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.201 4.337 8.943 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.146 2.959 8.414 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.665 3.473 7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.226 5.988 10.234 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.736 4.512 8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.307 7.019 11.245 1.00 0.00 H new ATOM 0 HH TYR A 20 5.455 7.041 11.275 1.00 0.00 H new ATOM 334 N GLY A 21 1.491 3.372 4.834 1.00 0.00 N ATOM 335 CA GLY A 21 1.651 2.273 3.898 1.00 0.00 C ATOM 336 C GLY A 21 3.130 1.982 3.639 1.00 0.00 C ATOM 337 O GLY A 21 3.960 2.891 3.670 1.00 0.00 O ATOM 0 H GLY A 21 1.848 4.268 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.165 1.381 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.155 2.516 2.958 1.00 0.00 H new ATOM 341 N GLY A 22 3.416 0.713 3.389 1.00 0.00 N ATOM 342 CA GLY A 22 4.782 0.292 3.124 1.00 0.00 C ATOM 343 C GLY A 22 4.809 -1.031 2.357 1.00 0.00 C ATOM 344 O GLY A 22 3.845 -1.793 2.392 1.00 0.00 O ATOM 0 H GLY A 22 2.726 -0.038 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.298 1.061 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.321 0.182 4.065 1.00 0.00 H new ATOM 348 N TYR A 23 5.923 -1.262 1.678 1.00 0.00 N ATOM 349 CA TYR A 23 6.088 -2.479 0.903 1.00 0.00 C ATOM 350 C TYR A 23 7.028 -3.457 1.610 1.00 0.00 C ATOM 351 O TYR A 23 8.128 -3.085 2.015 1.00 0.00 O ATOM 352 CB TYR A 23 6.721 -2.051 -0.424 1.00 0.00 C ATOM 353 CG TYR A 23 8.107 -1.419 -0.275 1.00 0.00 C ATOM 354 CD1 TYR A 23 9.220 -2.222 -0.123 1.00 0.00 C ATOM 355 CD2 TYR A 23 8.246 -0.047 -0.295 1.00 0.00 C ATOM 356 CE1 TYR A 23 10.524 -1.628 0.016 1.00 0.00 C ATOM 357 CE2 TYR A 23 9.550 0.548 -0.156 1.00 0.00 C ATOM 358 CZ TYR A 23 10.624 -0.272 -0.007 1.00 0.00 C ATOM 359 OH TYR A 23 11.855 0.290 0.124 1.00 0.00 O ATOM 0 H TYR A 23 6.720 -0.626 1.649 1.00 0.00 H new ATOM 0 HA TYR A 23 5.130 -2.980 0.768 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.797 -2.921 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.059 -1.340 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.112 -3.297 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.376 0.582 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.402 -2.245 0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.672 1.621 -0.170 1.00 0.00 H new ATOM 0 HH TYR A 23 11.774 1.266 0.088 1.00 0.00 H new ATOM 369 N THR A 24 6.560 -4.690 1.738 1.00 0.00 N ATOM 370 CA THR A 24 7.343 -5.725 2.390 1.00 0.00 C ATOM 371 C THR A 24 6.727 -7.102 2.134 1.00 0.00 C ATOM 372 O THR A 24 5.709 -7.214 1.455 1.00 0.00 O ATOM 373 CB THR A 24 7.450 -5.373 3.875 1.00 0.00 C ATOM 374 OG1 THR A 24 8.741 -5.846 4.252 1.00 0.00 O ATOM 375 CG2 THR A 24 6.486 -6.186 4.740 1.00 0.00 C ATOM 0 H THR A 24 5.647 -4.995 1.401 1.00 0.00 H new ATOM 0 HA THR A 24 8.352 -5.774 1.980 1.00 0.00 H new ATOM 0 HB THR A 24 7.251 -4.310 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.894 -5.657 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.603 -5.897 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.461 -5.993 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.706 -7.248 4.630 1.00 0.00 H new ATOM 383 N THR A 25 7.370 -8.116 2.694 1.00 0.00 N ATOM 384 CA THR A 25 6.898 -9.481 2.536 1.00 0.00 C ATOM 385 C THR A 25 6.545 -10.085 3.898 1.00 0.00 C ATOM 386 O THR A 25 7.345 -10.032 4.829 1.00 0.00 O ATOM 387 CB THR A 25 7.971 -10.269 1.783 1.00 0.00 C ATOM 388 OG1 THR A 25 8.956 -10.549 2.773 1.00 0.00 O ATOM 389 CG2 THR A 25 8.711 -9.412 0.753 1.00 0.00 C ATOM 0 H THR A 25 8.214 -8.019 3.258 1.00 0.00 H new ATOM 0 HA THR A 25 5.979 -9.515 1.952 1.00 0.00 H new ATOM 0 HB THR A 25 7.511 -11.122 1.284 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.724 -10.087 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.462 -10.019 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.000 -9.028 0.021 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.199 -8.578 1.257 1.00 0.00 H new ATOM 397 N GLU A 26 5.347 -10.643 3.968 1.00 0.00 N ATOM 398 CA GLU A 26 4.877 -11.256 5.198 1.00 0.00 C ATOM 399 C GLU A 26 4.485 -10.179 6.212 1.00 0.00 C ATOM 400 O GLU A 26 5.163 -9.995 7.222 1.00 0.00 O ATOM 401 CB GLU A 26 5.934 -12.198 5.780 1.00 0.00 C ATOM 402 CG GLU A 26 5.400 -13.628 5.876 1.00 0.00 C ATOM 403 CD GLU A 26 4.651 -13.846 7.191 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.329 -13.829 8.241 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.416 -14.026 7.116 1.00 0.00 O ATOM 0 H GLU A 26 4.686 -10.684 3.192 1.00 0.00 H new ATOM 0 HA GLU A 26 3.993 -11.851 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.826 -12.180 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.232 -11.850 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.734 -13.828 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.227 -14.334 5.803 1.00 0.00 H new ATOM 412 N PRO A 27 3.364 -9.476 5.900 1.00 0.00 N ATOM 413 CA PRO A 27 2.874 -8.421 6.772 1.00 0.00 C ATOM 414 C PRO A 27 2.202 -9.007 8.015 1.00 0.00 C ATOM 415 O PRO A 27 1.734 -8.266 8.879 1.00 0.00 O ATOM 416 CB PRO A 27 1.922 -7.609 5.910 1.00 0.00 C ATOM 417 CG PRO A 27 1.557 -8.503 4.734 1.00 0.00 C ATOM 418 CD PRO A 27 2.535 -9.666 4.712 1.00 0.00 C ATOM 0 HA PRO A 27 3.674 -7.791 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.034 -7.322 6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.394 -6.688 5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.534 -8.866 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.607 -7.944 3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.013 -10.623 4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.137 -9.660 3.804 1.00 0.00 H new ATOM 426 N GLU A 28 2.176 -10.330 8.067 1.00 0.00 N ATOM 427 CA GLU A 28 1.570 -11.023 9.192 1.00 0.00 C ATOM 428 C GLU A 28 2.521 -11.024 10.390 1.00 0.00 C ATOM 429 O GLU A 28 2.214 -10.441 11.430 1.00 0.00 O ATOM 430 CB GLU A 28 1.172 -12.449 8.806 1.00 0.00 C ATOM 431 CG GLU A 28 0.160 -12.446 7.659 1.00 0.00 C ATOM 432 CD GLU A 28 -1.267 -12.619 8.186 1.00 0.00 C ATOM 433 OE1 GLU A 28 -1.677 -11.766 9.004 1.00 0.00 O ATOM 434 OE2 GLU A 28 -1.914 -13.600 7.760 1.00 0.00 O ATOM 0 H GLU A 28 2.565 -10.941 7.349 1.00 0.00 H new ATOM 0 HA GLU A 28 0.662 -10.491 9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.059 -13.010 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.745 -12.958 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.236 -11.510 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.394 -13.250 6.961 1.00 0.00 H new ATOM 441 N ARG A 29 3.654 -11.684 10.206 1.00 0.00 N ATOM 442 CA ARG A 29 4.651 -11.768 11.259 1.00 0.00 C ATOM 443 C ARG A 29 5.159 -10.371 11.622 1.00 0.00 C ATOM 444 O ARG A 29 5.602 -10.139 12.745 1.00 0.00 O ATOM 445 CB ARG A 29 5.834 -12.639 10.830 1.00 0.00 C ATOM 446 CG ARG A 29 6.680 -11.929 9.771 1.00 0.00 C ATOM 447 CD ARG A 29 7.951 -12.725 9.463 1.00 0.00 C ATOM 448 NE ARG A 29 7.614 -14.144 9.220 1.00 0.00 N ATOM 449 CZ ARG A 29 8.519 -15.131 9.147 1.00 0.00 C ATOM 450 NH1 ARG A 29 9.820 -14.857 9.299 1.00 0.00 N ATOM 451 NH2 ARG A 29 8.120 -16.391 8.922 1.00 0.00 N ATOM 0 H ARG A 29 3.904 -12.166 9.343 1.00 0.00 H new ATOM 0 HA ARG A 29 4.177 -12.223 12.129 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.451 -12.873 11.697 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.468 -13.586 10.434 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.096 -11.801 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.947 -10.932 10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.449 -12.306 8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.650 -12.646 10.296 1.00 0.00 H new ATOM 0 HE ARG A 29 6.631 -14.388 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.123 -13.898 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.509 -15.607 9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.128 -16.599 8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.808 -17.142 8.866 1.00 0.00 H new ATOM 465 N ARG A 30 5.081 -9.476 10.646 1.00 0.00 N ATOM 466 CA ARG A 30 5.527 -8.108 10.849 1.00 0.00 C ATOM 467 C ARG A 30 4.598 -7.386 11.826 1.00 0.00 C ATOM 468 O ARG A 30 5.027 -6.962 12.898 1.00 0.00 O ATOM 469 CB ARG A 30 5.563 -7.340 9.527 1.00 0.00 C ATOM 470 CG ARG A 30 6.527 -6.154 9.609 1.00 0.00 C ATOM 471 CD ARG A 30 6.153 -5.074 8.591 1.00 0.00 C ATOM 472 NE ARG A 30 5.457 -3.957 9.271 1.00 0.00 N ATOM 473 CZ ARG A 30 5.399 -2.707 8.793 1.00 0.00 C ATOM 474 NH1 ARG A 30 5.995 -2.405 7.631 1.00 0.00 N ATOM 475 NH2 ARG A 30 4.746 -1.758 9.476 1.00 0.00 N ATOM 0 H ARG A 30 4.716 -9.672 9.714 1.00 0.00 H new ATOM 0 HA ARG A 30 6.535 -8.145 11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.870 -8.008 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.562 -6.984 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.508 -5.734 10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.546 -6.495 9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.050 -4.705 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.511 -5.497 7.819 1.00 0.00 H new ATOM 0 HE ARG A 30 4.993 -4.152 10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.493 -3.127 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.951 -1.453 7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.293 -1.987 10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.702 -0.806 9.112 1.00 0.00 H new ATOM 489 N LEU A 31 3.342 -7.268 11.420 1.00 0.00 N ATOM 490 CA LEU A 31 2.348 -6.602 12.247 1.00 0.00 C ATOM 491 C LEU A 31 2.544 -7.020 13.706 1.00 0.00 C ATOM 492 O LEU A 31 2.773 -6.174 14.571 1.00 0.00 O ATOM 493 CB LEU A 31 0.941 -6.873 11.713 1.00 0.00 C ATOM 494 CG LEU A 31 -0.009 -5.674 11.689 1.00 0.00 C ATOM 495 CD1 LEU A 31 0.155 -4.869 10.399 1.00 0.00 C ATOM 496 CD2 LEU A 31 -1.457 -6.118 11.906 1.00 0.00 C ATOM 0 H LEU A 31 2.990 -7.622 10.531 1.00 0.00 H new ATOM 0 HA LEU A 31 2.477 -5.521 12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.028 -7.263 10.699 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.489 -7.658 12.319 1.00 0.00 H new ATOM 0 HG LEU A 31 0.254 -5.014 12.516 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.532 -4.023 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.179 -4.504 10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.065 -5.506 9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.112 -5.247 11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.748 -6.810 11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.545 -6.614 12.873 1.00 0.00 H new ATOM 508 N THR A 32 2.446 -8.321 13.935 1.00 0.00 N ATOM 509 CA THR A 32 2.610 -8.859 15.275 1.00 0.00 C ATOM 510 C THR A 32 3.920 -8.364 15.892 1.00 0.00 C ATOM 511 O THR A 32 3.977 -8.081 17.087 1.00 0.00 O ATOM 512 CB THR A 32 2.517 -10.383 15.186 1.00 0.00 C ATOM 513 OG1 THR A 32 2.798 -10.826 16.509 1.00 0.00 O ATOM 514 CG2 THR A 32 3.641 -10.990 14.343 1.00 0.00 C ATOM 0 H THR A 32 2.255 -9.018 13.216 1.00 0.00 H new ATOM 0 HA THR A 32 1.822 -8.509 15.942 1.00 0.00 H new ATOM 0 HB THR A 32 1.553 -10.663 14.762 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.757 -11.805 16.542 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.528 -12.074 14.312 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.592 -10.591 13.330 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.605 -10.738 14.786 1.00 0.00 H new ATOM 522 N GLU A 33 4.938 -8.278 15.050 1.00 0.00 N ATOM 523 CA GLU A 33 6.244 -7.823 15.498 1.00 0.00 C ATOM 524 C GLU A 33 6.166 -6.370 15.968 1.00 0.00 C ATOM 525 O GLU A 33 6.354 -6.084 17.149 1.00 0.00 O ATOM 526 CB GLU A 33 7.290 -7.990 14.395 1.00 0.00 C ATOM 527 CG GLU A 33 8.503 -8.773 14.903 1.00 0.00 C ATOM 528 CD GLU A 33 9.344 -9.298 13.737 1.00 0.00 C ATOM 529 OE1 GLU A 33 9.357 -8.612 12.692 1.00 0.00 O ATOM 530 OE2 GLU A 33 9.954 -10.374 13.917 1.00 0.00 O ATOM 0 H GLU A 33 4.886 -8.516 14.059 1.00 0.00 H new ATOM 0 HA GLU A 33 6.554 -8.440 16.342 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.847 -8.509 13.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.608 -7.010 14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.115 -8.132 15.538 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.169 -9.607 15.520 1.00 0.00 H new ATOM 537 N HIS A 34 5.891 -5.489 15.016 1.00 0.00 N ATOM 538 CA HIS A 34 5.786 -4.071 15.318 1.00 0.00 C ATOM 539 C HIS A 34 5.013 -3.879 16.623 1.00 0.00 C ATOM 540 O HIS A 34 5.558 -3.377 17.604 1.00 0.00 O ATOM 541 CB HIS A 34 5.167 -3.310 14.143 1.00 0.00 C ATOM 542 CG HIS A 34 4.851 -1.866 14.446 1.00 0.00 C ATOM 543 ND1 HIS A 34 3.587 -1.324 14.283 1.00 0.00 N ATOM 544 CD2 HIS A 34 5.645 -0.856 14.906 1.00 0.00 C ATOM 545 CE1 HIS A 34 3.631 -0.047 14.630 1.00 0.00 C ATOM 546 NE2 HIS A 34 4.908 0.242 15.014 1.00 0.00 N ATOM 0 H HIS A 34 5.738 -5.730 14.037 1.00 0.00 H new ATOM 0 HA HIS A 34 6.782 -3.652 15.463 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.851 -3.352 13.296 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.251 -3.816 13.838 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.696 -0.937 15.142 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.802 0.645 14.612 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.241 1.152 15.332 1.00 0.00 H new ATOM 554 N ASN A 35 3.753 -4.289 16.593 1.00 0.00 N ATOM 555 CA ASN A 35 2.898 -4.168 17.761 1.00 0.00 C ATOM 556 C ASN A 35 3.669 -4.627 19.001 1.00 0.00 C ATOM 557 O ASN A 35 3.839 -3.861 19.948 1.00 0.00 O ATOM 558 CB ASN A 35 1.653 -5.048 17.627 1.00 0.00 C ATOM 559 CG ASN A 35 0.457 -4.232 17.133 1.00 0.00 C ATOM 560 OD1 ASN A 35 -0.158 -3.475 17.868 1.00 0.00 O ATOM 561 ND2 ASN A 35 0.160 -4.428 15.852 1.00 0.00 N ATOM 0 H ASN A 35 3.304 -4.706 15.777 1.00 0.00 H new ATOM 0 HA ASN A 35 2.594 -3.125 17.850 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.853 -5.864 16.933 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.417 -5.500 18.590 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.623 -3.931 15.428 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.715 -5.076 15.293 1.00 0.00 H new ATOM 568 N SER A 36 4.114 -5.874 18.954 1.00 0.00 N ATOM 569 CA SER A 36 4.862 -6.443 20.062 1.00 0.00 C ATOM 570 C SER A 36 5.993 -5.498 20.470 1.00 0.00 C ATOM 571 O SER A 36 6.081 -5.093 21.628 1.00 0.00 O ATOM 572 CB SER A 36 5.426 -7.818 19.697 1.00 0.00 C ATOM 573 OG SER A 36 5.946 -8.501 20.833 1.00 0.00 O ATOM 0 H SER A 36 3.971 -6.506 18.166 1.00 0.00 H new ATOM 0 HA SER A 36 4.182 -6.570 20.904 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.642 -8.421 19.239 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.214 -7.701 18.953 1.00 0.00 H new ATOM 0 HG SER A 36 6.295 -9.375 20.558 1.00 0.00 H new ATOM 579 N GLY A 37 6.833 -5.174 19.496 1.00 0.00 N ATOM 580 CA GLY A 37 7.953 -4.283 19.740 1.00 0.00 C ATOM 581 C GLY A 37 9.172 -5.062 20.242 1.00 0.00 C ATOM 582 O GLY A 37 9.069 -5.843 21.186 1.00 0.00 O ATOM 0 H GLY A 37 6.759 -5.513 18.537 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.208 -3.753 18.822 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.670 -3.530 20.475 1.00 0.00 H new ATOM 586 N THR A 38 10.300 -4.820 19.588 1.00 0.00 N ATOM 587 CA THR A 38 11.535 -5.488 19.956 1.00 0.00 C ATOM 588 C THR A 38 12.096 -4.896 21.250 1.00 0.00 C ATOM 589 O THR A 38 11.915 -3.711 21.525 1.00 0.00 O ATOM 590 CB THR A 38 12.499 -5.384 18.772 1.00 0.00 C ATOM 591 OG1 THR A 38 13.505 -6.354 19.057 1.00 0.00 O ATOM 592 CG2 THR A 38 13.258 -4.056 18.750 1.00 0.00 C ATOM 0 H THR A 38 10.383 -4.170 18.806 1.00 0.00 H new ATOM 0 HA THR A 38 11.367 -6.544 20.165 1.00 0.00 H new ATOM 0 HB THR A 38 11.944 -5.501 17.841 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.171 -6.355 18.338 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.928 -4.034 17.890 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.548 -3.232 18.678 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.840 -3.954 19.666 1.00 0.00 H new ATOM 600 N GLY A 39 12.767 -5.749 22.011 1.00 0.00 N ATOM 601 CA GLY A 39 13.357 -5.325 23.269 1.00 0.00 C ATOM 602 C GLY A 39 12.400 -5.577 24.436 1.00 0.00 C ATOM 603 O GLY A 39 11.798 -6.647 24.531 1.00 0.00 O ATOM 0 H GLY A 39 12.915 -6.731 21.780 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.290 -5.863 23.437 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.605 -4.265 23.220 1.00 0.00 H new ATOM 607 N ALA A 40 12.285 -4.574 25.294 1.00 0.00 N ATOM 608 CA ALA A 40 11.410 -4.674 26.450 1.00 0.00 C ATOM 609 C ALA A 40 10.926 -3.276 26.840 1.00 0.00 C ATOM 610 O ALA A 40 11.676 -2.497 27.426 1.00 0.00 O ATOM 611 CB ALA A 40 12.150 -5.375 27.592 1.00 0.00 C ATOM 0 H ALA A 40 12.783 -3.688 25.212 1.00 0.00 H new ATOM 0 HA ALA A 40 10.531 -5.274 26.215 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.494 -5.450 28.459 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.447 -6.374 27.274 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.037 -4.800 27.857 1.00 0.00 H new ATOM 617 N LYS A 41 9.675 -3.001 26.498 1.00 0.00 N ATOM 618 CA LYS A 41 9.082 -1.712 26.806 1.00 0.00 C ATOM 619 C LYS A 41 7.576 -1.773 26.546 1.00 0.00 C ATOM 620 O LYS A 41 7.123 -2.506 25.668 1.00 0.00 O ATOM 621 CB LYS A 41 9.794 -0.596 26.036 1.00 0.00 C ATOM 622 CG LYS A 41 9.487 -0.680 24.540 1.00 0.00 C ATOM 623 CD LYS A 41 9.058 0.682 23.992 1.00 0.00 C ATOM 624 CE LYS A 41 10.161 1.298 23.130 1.00 0.00 C ATOM 625 NZ LYS A 41 9.583 1.940 21.928 1.00 0.00 N ATOM 0 H LYS A 41 9.057 -3.650 26.011 1.00 0.00 H new ATOM 0 HA LYS A 41 9.215 -1.475 27.862 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.480 0.374 26.421 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.870 -0.669 26.195 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.368 -1.031 24.003 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.697 -1.411 24.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.149 0.570 23.401 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.820 1.352 24.818 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.716 2.034 23.711 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.871 0.527 22.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.346 2.353 21.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.073 1.229 21.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.923 2.690 22.218 1.00 0.00 H new ATOM 639 N TYR A 42 6.841 -0.992 27.325 1.00 0.00 N ATOM 640 CA TYR A 42 5.395 -0.948 27.189 1.00 0.00 C ATOM 641 C TYR A 42 4.791 -2.349 27.303 1.00 0.00 C ATOM 642 O TYR A 42 5.518 -3.339 27.368 1.00 0.00 O ATOM 643 CB TYR A 42 5.120 -0.399 25.787 1.00 0.00 C ATOM 644 CG TYR A 42 4.845 1.105 25.751 1.00 0.00 C ATOM 645 CD1 TYR A 42 3.871 1.648 26.565 1.00 0.00 C ATOM 646 CD2 TYR A 42 5.570 1.919 24.905 1.00 0.00 C ATOM 647 CE1 TYR A 42 3.611 3.065 26.529 1.00 0.00 C ATOM 648 CE2 TYR A 42 5.312 3.335 24.871 1.00 0.00 C ATOM 649 CZ TYR A 42 4.345 3.839 25.684 1.00 0.00 C ATOM 650 OH TYR A 42 4.101 5.176 25.653 1.00 0.00 O ATOM 0 H TYR A 42 7.220 -0.385 28.052 1.00 0.00 H new ATOM 0 HA TYR A 42 4.954 -0.332 27.973 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.976 -0.617 25.148 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.264 -0.925 25.363 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.304 1.011 27.228 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.331 1.494 24.268 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.851 3.503 27.159 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.874 3.983 24.214 1.00 0.00 H new ATOM 0 HH TYR A 42 4.700 5.603 25.005 1.00 0.00 H new ATOM 660 N THR A 43 3.466 -2.388 27.323 1.00 0.00 N ATOM 661 CA THR A 43 2.756 -3.651 27.428 1.00 0.00 C ATOM 662 C THR A 43 2.702 -4.347 26.067 1.00 0.00 C ATOM 663 O THR A 43 1.866 -4.011 25.228 1.00 0.00 O ATOM 664 CB THR A 43 1.376 -3.369 28.023 1.00 0.00 C ATOM 665 OG1 THR A 43 1.652 -2.921 29.347 1.00 0.00 O ATOM 666 CG2 THR A 43 0.553 -4.643 28.225 1.00 0.00 C ATOM 0 H THR A 43 2.866 -1.565 27.268 1.00 0.00 H new ATOM 0 HA THR A 43 3.275 -4.343 28.091 1.00 0.00 H new ATOM 0 HB THR A 43 0.833 -2.686 27.370 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.810 -2.714 29.804 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.417 -4.386 28.650 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.409 -5.139 27.265 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.080 -5.313 28.904 1.00 0.00 H new ATOM 674 N ARG A 44 3.602 -5.301 25.889 1.00 0.00 N ATOM 675 CA ARG A 44 3.666 -6.048 24.644 1.00 0.00 C ATOM 676 C ARG A 44 2.259 -6.436 24.184 1.00 0.00 C ATOM 677 O ARG A 44 1.861 -6.124 23.063 1.00 0.00 O ATOM 678 CB ARG A 44 4.511 -7.315 24.803 1.00 0.00 C ATOM 679 CG ARG A 44 5.980 -6.965 25.051 1.00 0.00 C ATOM 680 CD ARG A 44 6.394 -7.317 26.482 1.00 0.00 C ATOM 681 NE ARG A 44 7.570 -8.213 26.462 1.00 0.00 N ATOM 682 CZ ARG A 44 8.304 -8.513 27.544 1.00 0.00 C ATOM 683 NH1 ARG A 44 7.987 -7.989 28.735 1.00 0.00 N ATOM 684 NH2 ARG A 44 9.355 -9.336 27.432 1.00 0.00 N ATOM 0 H ARG A 44 4.294 -5.575 26.586 1.00 0.00 H new ATOM 0 HA ARG A 44 4.132 -5.406 23.897 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.130 -7.909 25.633 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.426 -7.929 23.906 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.610 -7.504 24.343 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.139 -5.901 24.874 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.629 -6.408 27.036 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.566 -7.801 27.000 1.00 0.00 H new ATOM 0 HE ARG A 44 7.840 -8.629 25.570 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.187 -7.362 28.820 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.545 -8.217 29.558 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.597 -9.734 26.524 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.914 -9.565 28.254 1.00 0.00 H new ATOM 698 N LEU A 45 1.546 -7.112 25.073 1.00 0.00 N ATOM 699 CA LEU A 45 0.193 -7.545 24.773 1.00 0.00 C ATOM 700 C LEU A 45 -0.557 -6.412 24.069 1.00 0.00 C ATOM 701 O LEU A 45 -0.954 -6.550 22.912 1.00 0.00 O ATOM 702 CB LEU A 45 -0.502 -8.049 26.040 1.00 0.00 C ATOM 703 CG LEU A 45 -1.575 -9.121 25.836 1.00 0.00 C ATOM 704 CD1 LEU A 45 -2.745 -8.577 25.013 1.00 0.00 C ATOM 705 CD2 LEU A 45 -0.976 -10.384 25.213 1.00 0.00 C ATOM 0 H LEU A 45 1.881 -7.370 26.001 1.00 0.00 H new ATOM 0 HA LEU A 45 0.208 -8.392 24.087 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.257 -8.447 26.713 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.959 -7.197 26.543 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.970 -9.399 26.813 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.493 -9.359 24.883 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.192 -7.730 25.533 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.384 -8.254 24.036 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.759 -11.130 25.079 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.538 -10.140 24.245 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.204 -10.783 25.871 1.00 0.00 H new ATOM 717 N ALA A 46 -0.729 -5.318 24.796 1.00 0.00 N ATOM 718 CA ALA A 46 -1.424 -4.163 24.255 1.00 0.00 C ATOM 719 C ALA A 46 -0.980 -3.935 22.809 1.00 0.00 C ATOM 720 O ALA A 46 0.212 -3.792 22.536 1.00 0.00 O ATOM 721 CB ALA A 46 -1.159 -2.946 25.145 1.00 0.00 C ATOM 0 H ALA A 46 -0.399 -5.207 25.755 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.501 -4.333 24.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.680 -2.079 24.740 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.520 -3.147 26.154 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.088 -2.744 25.176 1.00 0.00 H new ATOM 727 N LYS A 47 -1.960 -3.911 21.919 1.00 0.00 N ATOM 728 CA LYS A 47 -1.686 -3.704 20.507 1.00 0.00 C ATOM 729 C LYS A 47 -1.895 -2.228 20.162 1.00 0.00 C ATOM 730 O LYS A 47 -0.977 -1.561 19.687 1.00 0.00 O ATOM 731 CB LYS A 47 -2.521 -4.660 19.653 1.00 0.00 C ATOM 732 CG LYS A 47 -1.869 -6.041 19.580 1.00 0.00 C ATOM 733 CD LYS A 47 -2.920 -7.150 19.671 1.00 0.00 C ATOM 734 CE LYS A 47 -3.034 -7.907 18.345 1.00 0.00 C ATOM 735 NZ LYS A 47 -4.231 -8.775 18.346 1.00 0.00 N ATOM 0 H LYS A 47 -2.947 -4.032 22.148 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.646 -3.940 20.282 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.523 -4.749 20.074 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.632 -4.253 18.648 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.315 -6.136 18.646 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.149 -6.150 20.391 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.654 -7.844 20.468 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.887 -6.720 19.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.092 -7.198 17.519 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.140 -8.510 18.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.293 -9.281 17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.160 -9.463 19.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.082 -8.192 18.476 1.00 0.00 H new ATOM 749 N ARG A 48 -3.109 -1.761 20.415 1.00 0.00 N ATOM 750 CA ARG A 48 -3.451 -0.376 20.136 1.00 0.00 C ATOM 751 C ARG A 48 -3.284 -0.077 18.645 1.00 0.00 C ATOM 752 O ARG A 48 -2.520 -0.752 17.956 1.00 0.00 O ATOM 753 CB ARG A 48 -2.571 0.581 20.943 1.00 0.00 C ATOM 754 CG ARG A 48 -3.269 1.007 22.237 1.00 0.00 C ATOM 755 CD ARG A 48 -2.292 0.998 23.415 1.00 0.00 C ATOM 756 NE ARG A 48 -3.037 1.083 24.691 1.00 0.00 N ATOM 757 CZ ARG A 48 -2.489 1.448 25.857 1.00 0.00 C ATOM 758 NH1 ARG A 48 -1.189 1.765 25.917 1.00 0.00 N ATOM 759 NH2 ARG A 48 -3.242 1.498 26.965 1.00 0.00 N ATOM 0 H ARG A 48 -3.868 -2.317 20.810 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.491 -0.227 20.425 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.623 0.098 21.179 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.340 1.461 20.343 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.689 2.005 22.116 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.101 0.334 22.444 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.693 0.088 23.394 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.601 1.837 23.331 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.030 0.849 24.682 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.616 1.728 25.074 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.772 2.043 26.806 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.232 1.258 26.920 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.825 1.776 27.853 1.00 0.00 H new ATOM 773 N ARG A 49 -4.010 0.933 18.191 1.00 0.00 N ATOM 774 CA ARG A 49 -3.952 1.329 16.796 1.00 0.00 C ATOM 775 C ARG A 49 -4.385 0.170 15.895 1.00 0.00 C ATOM 776 O ARG A 49 -3.548 -0.560 15.369 1.00 0.00 O ATOM 777 CB ARG A 49 -2.538 1.767 16.405 1.00 0.00 C ATOM 778 CG ARG A 49 -2.159 3.076 17.099 1.00 0.00 C ATOM 779 CD ARG A 49 -0.715 3.031 17.605 1.00 0.00 C ATOM 780 NE ARG A 49 -0.559 3.928 18.771 1.00 0.00 N ATOM 781 CZ ARG A 49 0.529 3.963 19.552 1.00 0.00 C ATOM 782 NH1 ARG A 49 1.564 3.150 19.295 1.00 0.00 N ATOM 783 NH2 ARG A 49 0.583 4.809 20.589 1.00 0.00 N ATOM 0 H ARG A 49 -4.642 1.490 18.766 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.632 2.171 16.663 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.824 0.988 16.675 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.478 1.894 15.324 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.279 3.908 16.405 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.835 3.258 17.934 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.450 2.011 17.883 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.033 3.332 16.810 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.328 4.560 18.994 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.523 2.506 18.505 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.393 3.176 19.889 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.205 5.427 20.784 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.412 4.835 21.183 1.00 0.00 H new ATOM 797 N PRO A 50 -5.729 0.033 15.743 1.00 0.00 N ATOM 798 CA PRO A 50 -6.286 -1.025 14.916 1.00 0.00 C ATOM 799 C PRO A 50 -6.114 -0.706 13.430 1.00 0.00 C ATOM 800 O PRO A 50 -6.903 0.043 12.857 1.00 0.00 O ATOM 801 CB PRO A 50 -7.742 -1.129 15.338 1.00 0.00 C ATOM 802 CG PRO A 50 -8.065 0.176 16.046 1.00 0.00 C ATOM 803 CD PRO A 50 -6.753 0.878 16.351 1.00 0.00 C ATOM 0 HA PRO A 50 -5.777 -1.979 15.053 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.390 -1.275 14.474 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.897 -1.981 16.000 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.697 0.804 15.419 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.618 -0.015 16.965 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.736 1.884 15.932 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.598 0.977 17.425 1.00 0.00 H new ATOM 811 N VAL A 51 -5.079 -1.292 12.848 1.00 0.00 N ATOM 812 CA VAL A 51 -4.794 -1.081 11.439 1.00 0.00 C ATOM 813 C VAL A 51 -5.764 -1.912 10.596 1.00 0.00 C ATOM 814 O VAL A 51 -6.027 -3.071 10.909 1.00 0.00 O ATOM 815 CB VAL A 51 -3.325 -1.399 11.148 1.00 0.00 C ATOM 816 CG1 VAL A 51 -2.403 -0.682 12.135 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.079 -2.909 11.164 1.00 0.00 C ATOM 0 H VAL A 51 -4.427 -1.913 13.327 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.945 -0.035 11.172 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.094 -1.032 10.148 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.365 -0.925 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.550 0.395 12.054 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.636 -1.004 13.150 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.028 -3.109 10.955 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.336 -3.309 12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.697 -3.386 10.404 1.00 0.00 H new ATOM 827 N ILE A 52 -6.269 -1.285 9.544 1.00 0.00 N ATOM 828 CA ILE A 52 -7.205 -1.952 8.654 1.00 0.00 C ATOM 829 C ILE A 52 -6.650 -1.930 7.229 1.00 0.00 C ATOM 830 O ILE A 52 -5.909 -1.020 6.861 1.00 0.00 O ATOM 831 CB ILE A 52 -8.598 -1.333 8.780 1.00 0.00 C ATOM 832 CG1 ILE A 52 -8.686 -0.016 8.005 1.00 0.00 C ATOM 833 CG2 ILE A 52 -8.991 -1.161 10.249 1.00 0.00 C ATOM 834 CD1 ILE A 52 -10.130 0.486 7.937 1.00 0.00 C ATOM 0 H ILE A 52 -6.048 -0.323 9.288 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.319 -2.998 8.937 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.318 -2.018 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.059 0.735 8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.299 -0.157 6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.985 -0.719 10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.995 -2.134 10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.272 -0.508 10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.164 1.423 7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.750 -0.257 7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.506 0.650 8.947 1.00 0.00 H new ATOM 846 N MET A 53 -7.030 -2.945 6.464 1.00 0.00 N ATOM 847 CA MET A 53 -6.578 -3.053 5.087 1.00 0.00 C ATOM 848 C MET A 53 -7.532 -2.325 4.139 1.00 0.00 C ATOM 849 O MET A 53 -8.750 -2.434 4.274 1.00 0.00 O ATOM 850 CB MET A 53 -6.494 -4.530 4.694 1.00 0.00 C ATOM 851 CG MET A 53 -5.078 -4.897 4.242 1.00 0.00 C ATOM 852 SD MET A 53 -4.493 -6.308 5.163 1.00 0.00 S ATOM 853 CE MET A 53 -3.445 -5.490 6.353 1.00 0.00 C ATOM 0 H MET A 53 -7.645 -3.698 6.772 1.00 0.00 H new ATOM 0 HA MET A 53 -5.595 -2.590 5.008 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.782 -5.152 5.541 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.201 -4.737 3.891 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.074 -5.121 3.175 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.408 -4.050 4.392 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.254 -6.160 7.191 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.500 -5.220 5.881 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.940 -4.589 6.715 1.00 0.00 H new ATOM 863 N ILE A 54 -6.943 -1.599 3.201 1.00 0.00 N ATOM 864 CA ILE A 54 -7.726 -0.853 2.229 1.00 0.00 C ATOM 865 C ILE A 54 -7.057 -0.953 0.857 1.00 0.00 C ATOM 866 O ILE A 54 -7.720 -1.223 -0.143 1.00 0.00 O ATOM 867 CB ILE A 54 -7.941 0.585 2.705 1.00 0.00 C ATOM 868 CG1 ILE A 54 -6.676 1.140 3.363 1.00 0.00 C ATOM 869 CG2 ILE A 54 -9.156 0.680 3.630 1.00 0.00 C ATOM 870 CD1 ILE A 54 -6.275 2.478 2.739 1.00 0.00 C ATOM 0 H ILE A 54 -5.933 -1.511 3.093 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.722 -1.284 2.130 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.150 1.206 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.845 1.269 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.861 0.425 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.287 1.712 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.047 0.352 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.001 0.043 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.373 2.850 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.083 2.340 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.082 3.198 2.872 1.00 0.00 H new ATOM 882 N HIS A 55 -5.750 -0.729 0.853 1.00 0.00 N ATOM 883 CA HIS A 55 -4.984 -0.791 -0.380 1.00 0.00 C ATOM 884 C HIS A 55 -4.115 -2.049 -0.382 1.00 0.00 C ATOM 885 O HIS A 55 -3.745 -2.554 0.676 1.00 0.00 O ATOM 886 CB HIS A 55 -4.173 0.491 -0.580 1.00 0.00 C ATOM 887 CG HIS A 55 -5.015 1.723 -0.806 1.00 0.00 C ATOM 888 ND1 HIS A 55 -5.919 1.833 -1.848 1.00 0.00 N ATOM 889 CD2 HIS A 55 -5.083 2.896 -0.113 1.00 0.00 C ATOM 890 CE1 HIS A 55 -6.499 3.023 -1.777 1.00 0.00 C ATOM 891 NE2 HIS A 55 -5.978 3.680 -0.701 1.00 0.00 N ATOM 0 H HIS A 55 -5.203 -0.504 1.684 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.662 -0.860 -1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.543 0.650 0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.507 0.358 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.506 3.145 0.766 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.251 3.405 -2.452 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.234 4.620 -0.398 1.00 0.00 H new ATOM 899 N THR A 56 -3.816 -2.521 -1.584 1.00 0.00 N ATOM 900 CA THR A 56 -2.998 -3.711 -1.738 1.00 0.00 C ATOM 901 C THR A 56 -2.356 -3.742 -3.127 1.00 0.00 C ATOM 902 O THR A 56 -3.037 -3.979 -4.124 1.00 0.00 O ATOM 903 CB THR A 56 -3.876 -4.930 -1.447 1.00 0.00 C ATOM 904 OG1 THR A 56 -5.100 -4.643 -2.119 1.00 0.00 O ATOM 905 CG2 THR A 56 -4.272 -5.027 0.026 1.00 0.00 C ATOM 0 H THR A 56 -4.126 -2.100 -2.460 1.00 0.00 H new ATOM 0 HA THR A 56 -2.168 -3.714 -1.031 1.00 0.00 H new ATOM 0 HB THR A 56 -3.348 -5.837 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.908 -4.302 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.894 -5.909 0.178 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.375 -5.106 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.830 -4.136 0.312 1.00 0.00 H new ATOM 913 N GLU A 57 -1.054 -3.498 -3.147 1.00 0.00 N ATOM 914 CA GLU A 57 -0.314 -3.495 -4.398 1.00 0.00 C ATOM 915 C GLU A 57 0.746 -4.598 -4.391 1.00 0.00 C ATOM 916 O GLU A 57 1.401 -4.826 -3.375 1.00 0.00 O ATOM 917 CB GLU A 57 0.321 -2.126 -4.655 1.00 0.00 C ATOM 918 CG GLU A 57 0.325 -1.796 -6.150 1.00 0.00 C ATOM 919 CD GLU A 57 -0.825 -0.852 -6.504 1.00 0.00 C ATOM 920 OE1 GLU A 57 -1.983 -1.314 -6.429 1.00 0.00 O ATOM 921 OE2 GLU A 57 -0.518 0.312 -6.845 1.00 0.00 O ATOM 0 H GLU A 57 -0.493 -3.301 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.012 -3.695 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.229 -1.358 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.342 -2.117 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.275 -1.336 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.238 -2.715 -6.730 1.00 0.00 H new ATOM 928 N LYS A 58 0.882 -5.253 -5.535 1.00 0.00 N ATOM 929 CA LYS A 58 1.851 -6.326 -5.673 1.00 0.00 C ATOM 930 C LYS A 58 2.675 -6.104 -6.942 1.00 0.00 C ATOM 931 O LYS A 58 2.128 -6.068 -8.044 1.00 0.00 O ATOM 932 CB LYS A 58 1.153 -7.687 -5.623 1.00 0.00 C ATOM 933 CG LYS A 58 2.141 -8.820 -5.907 1.00 0.00 C ATOM 934 CD LYS A 58 1.449 -9.987 -6.613 1.00 0.00 C ATOM 935 CE LYS A 58 2.221 -10.408 -7.864 1.00 0.00 C ATOM 936 NZ LYS A 58 1.355 -11.202 -8.764 1.00 0.00 N ATOM 0 H LYS A 58 0.337 -5.061 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 58 2.548 -6.320 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.700 -7.832 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.345 -7.712 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.958 -8.448 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.582 -9.166 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.368 -10.833 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.434 -9.700 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.587 -9.525 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.095 -10.994 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.894 -11.480 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.027 -12.054 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.535 -10.630 -9.050 1.00 0.00 H new ATOM 950 N PHE A 59 3.977 -5.960 -6.747 1.00 0.00 N ATOM 951 CA PHE A 59 4.882 -5.742 -7.864 1.00 0.00 C ATOM 952 C PHE A 59 6.235 -6.410 -7.610 1.00 0.00 C ATOM 953 O PHE A 59 6.924 -6.080 -6.646 1.00 0.00 O ATOM 954 CB PHE A 59 5.087 -4.231 -7.984 1.00 0.00 C ATOM 955 CG PHE A 59 5.235 -3.514 -6.640 1.00 0.00 C ATOM 956 CD1 PHE A 59 6.461 -3.412 -6.056 1.00 0.00 C ATOM 957 CD2 PHE A 59 4.145 -2.978 -6.031 1.00 0.00 C ATOM 958 CE1 PHE A 59 6.598 -2.746 -4.809 1.00 0.00 C ATOM 959 CE2 PHE A 59 4.282 -2.313 -4.783 1.00 0.00 C ATOM 960 CZ PHE A 59 5.508 -2.211 -4.199 1.00 0.00 C ATOM 0 H PHE A 59 4.428 -5.990 -5.832 1.00 0.00 H new ATOM 0 HA PHE A 59 4.461 -6.169 -8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.977 -4.042 -8.585 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.242 -3.802 -8.522 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.328 -3.837 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.174 -3.058 -6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.570 -2.665 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.415 -1.889 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.614 -1.705 -3.251 1.00 0.00 H new ATOM 970 N GLU A 60 6.575 -7.338 -8.493 1.00 0.00 N ATOM 971 CA GLU A 60 7.834 -8.054 -8.378 1.00 0.00 C ATOM 972 C GLU A 60 8.945 -7.298 -9.109 1.00 0.00 C ATOM 973 O GLU A 60 10.123 -7.464 -8.797 1.00 0.00 O ATOM 974 CB GLU A 60 7.701 -9.483 -8.909 1.00 0.00 C ATOM 975 CG GLU A 60 7.417 -9.485 -10.412 1.00 0.00 C ATOM 976 CD GLU A 60 6.455 -10.614 -10.787 1.00 0.00 C ATOM 977 OE1 GLU A 60 5.247 -10.451 -10.502 1.00 0.00 O ATOM 978 OE2 GLU A 60 6.947 -11.617 -11.349 1.00 0.00 O ATOM 0 H GLU A 60 6.001 -7.610 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 60 8.099 -8.116 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.618 -10.036 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.897 -9.997 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.990 -8.526 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.351 -9.601 -10.962 1.00 0.00 H new ATOM 985 N THR A 61 8.531 -6.485 -10.069 1.00 0.00 N ATOM 986 CA THR A 61 9.475 -5.702 -10.847 1.00 0.00 C ATOM 987 C THR A 61 9.581 -4.283 -10.288 1.00 0.00 C ATOM 988 O THR A 61 8.579 -3.697 -9.879 1.00 0.00 O ATOM 989 CB THR A 61 9.034 -5.748 -12.311 1.00 0.00 C ATOM 990 OG1 THR A 61 7.627 -5.535 -12.256 1.00 0.00 O ATOM 991 CG2 THR A 61 9.177 -7.144 -12.923 1.00 0.00 C ATOM 0 H THR A 61 7.553 -6.351 -10.326 1.00 0.00 H new ATOM 0 HA THR A 61 10.481 -6.117 -10.782 1.00 0.00 H new ATOM 0 HB THR A 61 9.623 -5.037 -12.890 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.258 -5.548 -13.164 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.850 -7.121 -13.963 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.220 -7.456 -12.877 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.562 -7.850 -12.365 1.00 0.00 H new ATOM 999 N ARG A 62 10.802 -3.770 -10.286 1.00 0.00 N ATOM 1000 CA ARG A 62 11.052 -2.431 -9.784 1.00 0.00 C ATOM 1001 C ARG A 62 10.372 -1.393 -10.679 1.00 0.00 C ATOM 1002 O ARG A 62 9.837 -0.399 -10.186 1.00 0.00 O ATOM 1003 CB ARG A 62 12.552 -2.135 -9.722 1.00 0.00 C ATOM 1004 CG ARG A 62 13.006 -1.899 -8.280 1.00 0.00 C ATOM 1005 CD ARG A 62 14.440 -1.364 -8.237 1.00 0.00 C ATOM 1006 NE ARG A 62 15.400 -2.489 -8.266 1.00 0.00 N ATOM 1007 CZ ARG A 62 15.839 -3.073 -9.389 1.00 0.00 C ATOM 1008 NH1 ARG A 62 15.408 -2.640 -10.582 1.00 0.00 N ATOM 1009 NH2 ARG A 62 16.712 -4.089 -9.319 1.00 0.00 N ATOM 0 H ARG A 62 11.630 -4.259 -10.625 1.00 0.00 H new ATOM 0 HA ARG A 62 10.640 -2.374 -8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.109 -2.969 -10.150 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.778 -1.257 -10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.335 -1.190 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.945 -2.831 -7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.616 -0.703 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.589 -0.771 -7.335 1.00 0.00 H new ATOM 0 HE ARG A 62 15.750 -2.842 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.746 -1.866 -10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.742 -3.085 -11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.041 -4.417 -8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.046 -4.534 -10.174 1.00 0.00 H new ATOM 1023 N SER A 63 10.414 -1.659 -11.975 1.00 0.00 N ATOM 1024 CA SER A 63 9.808 -0.760 -12.943 1.00 0.00 C ATOM 1025 C SER A 63 8.378 -0.421 -12.518 1.00 0.00 C ATOM 1026 O SER A 63 7.968 0.739 -12.575 1.00 0.00 O ATOM 1027 CB SER A 63 9.814 -1.375 -14.345 1.00 0.00 C ATOM 1028 OG SER A 63 10.843 -0.827 -15.163 1.00 0.00 O ATOM 0 H SER A 63 10.858 -2.484 -12.378 1.00 0.00 H new ATOM 0 HA SER A 63 10.398 0.156 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.949 -2.454 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.847 -1.208 -14.819 1.00 0.00 H new ATOM 0 HG SER A 63 10.815 -1.246 -16.048 1.00 0.00 H new ATOM 1034 N GLU A 64 7.657 -1.452 -12.102 1.00 0.00 N ATOM 1035 CA GLU A 64 6.282 -1.277 -11.667 1.00 0.00 C ATOM 1036 C GLU A 64 6.241 -0.741 -10.235 1.00 0.00 C ATOM 1037 O GLU A 64 5.316 -0.021 -9.863 1.00 0.00 O ATOM 1038 CB GLU A 64 5.500 -2.587 -11.785 1.00 0.00 C ATOM 1039 CG GLU A 64 4.616 -2.588 -13.034 1.00 0.00 C ATOM 1040 CD GLU A 64 5.375 -3.141 -14.242 1.00 0.00 C ATOM 1041 OE1 GLU A 64 6.526 -2.697 -14.439 1.00 0.00 O ATOM 1042 OE2 GLU A 64 4.787 -3.995 -14.940 1.00 0.00 O ATOM 0 H GLU A 64 8.000 -2.412 -12.057 1.00 0.00 H new ATOM 0 HA GLU A 64 5.805 -0.546 -12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.194 -3.426 -11.826 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.882 -2.727 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.725 -3.190 -12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.278 -1.574 -13.246 1.00 0.00 H new ATOM 1049 N ALA A 65 7.258 -1.112 -9.470 1.00 0.00 N ATOM 1050 CA ALA A 65 7.349 -0.678 -8.086 1.00 0.00 C ATOM 1051 C ALA A 65 7.575 0.834 -8.045 1.00 0.00 C ATOM 1052 O ALA A 65 6.819 1.562 -7.401 1.00 0.00 O ATOM 1053 CB ALA A 65 8.465 -1.453 -7.381 1.00 0.00 C ATOM 0 H ALA A 65 8.025 -1.708 -9.782 1.00 0.00 H new ATOM 0 HA ALA A 65 6.420 -0.888 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.534 -1.128 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.244 -2.520 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.413 -1.264 -7.884 1.00 0.00 H new ATOM 1059 N THR A 66 8.617 1.265 -8.741 1.00 0.00 N ATOM 1060 CA THR A 66 8.951 2.679 -8.792 1.00 0.00 C ATOM 1061 C THR A 66 7.789 3.480 -9.381 1.00 0.00 C ATOM 1062 O THR A 66 7.502 4.587 -8.928 1.00 0.00 O ATOM 1063 CB THR A 66 10.253 2.827 -9.581 1.00 0.00 C ATOM 1064 OG1 THR A 66 10.620 4.191 -9.391 1.00 0.00 O ATOM 1065 CG2 THR A 66 10.039 2.706 -11.093 1.00 0.00 C ATOM 0 H THR A 66 9.241 0.660 -9.274 1.00 0.00 H new ATOM 0 HA THR A 66 9.111 3.085 -7.793 1.00 0.00 H new ATOM 0 HB THR A 66 10.964 2.069 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.456 4.374 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.994 2.818 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.616 1.728 -11.324 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.354 3.485 -11.427 1.00 0.00 H new ATOM 1073 N LYS A 67 7.150 2.889 -10.380 1.00 0.00 N ATOM 1074 CA LYS A 67 6.025 3.535 -11.035 1.00 0.00 C ATOM 1075 C LYS A 67 4.928 3.807 -10.003 1.00 0.00 C ATOM 1076 O LYS A 67 4.473 4.941 -9.859 1.00 0.00 O ATOM 1077 CB LYS A 67 5.552 2.706 -12.230 1.00 0.00 C ATOM 1078 CG LYS A 67 5.864 3.416 -13.548 1.00 0.00 C ATOM 1079 CD LYS A 67 6.275 2.414 -14.629 1.00 0.00 C ATOM 1080 CE LYS A 67 5.356 2.513 -15.847 1.00 0.00 C ATOM 1081 NZ LYS A 67 5.115 1.173 -16.425 1.00 0.00 N ATOM 0 H LYS A 67 7.390 1.970 -10.752 1.00 0.00 H new ATOM 0 HA LYS A 67 6.325 4.499 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.037 1.730 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.479 2.530 -12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.989 3.975 -13.880 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.665 4.139 -13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.306 2.602 -14.931 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.240 1.403 -14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.408 2.967 -15.559 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.806 3.164 -16.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.489 1.259 -17.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.020 0.754 -16.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.666 0.563 -15.712 1.00 0.00 H new ATOM 1095 N ALA A 68 4.535 2.748 -9.311 1.00 0.00 N ATOM 1096 CA ALA A 68 3.501 2.859 -8.296 1.00 0.00 C ATOM 1097 C ALA A 68 3.813 4.045 -7.382 1.00 0.00 C ATOM 1098 O ALA A 68 2.920 4.814 -7.031 1.00 0.00 O ATOM 1099 CB ALA A 68 3.397 1.541 -7.528 1.00 0.00 C ATOM 0 H ALA A 68 4.914 1.809 -9.433 1.00 0.00 H new ATOM 0 HA ALA A 68 2.530 3.046 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.622 1.624 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.143 0.737 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.352 1.322 -7.051 1.00 0.00 H new ATOM 1105 N GLU A 69 5.083 4.156 -7.024 1.00 0.00 N ATOM 1106 CA GLU A 69 5.526 5.235 -6.158 1.00 0.00 C ATOM 1107 C GLU A 69 5.417 6.578 -6.884 1.00 0.00 C ATOM 1108 O GLU A 69 4.774 7.504 -6.393 1.00 0.00 O ATOM 1109 CB GLU A 69 6.953 4.994 -5.664 1.00 0.00 C ATOM 1110 CG GLU A 69 7.395 6.096 -4.701 1.00 0.00 C ATOM 1111 CD GLU A 69 7.745 7.379 -5.459 1.00 0.00 C ATOM 1112 OE1 GLU A 69 8.684 7.315 -6.282 1.00 0.00 O ATOM 1113 OE2 GLU A 69 7.063 8.396 -5.199 1.00 0.00 O ATOM 0 H GLU A 69 5.820 3.516 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 69 4.875 5.262 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.010 4.026 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.634 4.955 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.599 6.298 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.260 5.759 -4.130 1.00 0.00 H new ATOM 1120 N ALA A 70 6.055 6.640 -8.044 1.00 0.00 N ATOM 1121 CA ALA A 70 6.038 7.853 -8.843 1.00 0.00 C ATOM 1122 C ALA A 70 4.608 8.392 -8.912 1.00 0.00 C ATOM 1123 O ALA A 70 4.372 9.571 -8.652 1.00 0.00 O ATOM 1124 CB ALA A 70 6.620 7.561 -10.227 1.00 0.00 C ATOM 0 H ALA A 70 6.587 5.870 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 70 6.659 8.624 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.607 8.471 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.646 7.209 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.022 6.794 -10.719 1.00 0.00 H new ATOM 1130 N ALA A 71 3.691 7.504 -9.267 1.00 0.00 N ATOM 1131 CA ALA A 71 2.291 7.876 -9.374 1.00 0.00 C ATOM 1132 C ALA A 71 1.799 8.389 -8.020 1.00 0.00 C ATOM 1133 O ALA A 71 1.132 9.420 -7.948 1.00 0.00 O ATOM 1134 CB ALA A 71 1.480 6.678 -9.874 1.00 0.00 C ATOM 0 H ALA A 71 3.891 6.528 -9.484 1.00 0.00 H new ATOM 0 HA ALA A 71 2.163 8.681 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.430 6.958 -9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.850 6.371 -10.853 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.583 5.851 -9.172 1.00 0.00 H new ATOM 1140 N PHE A 72 2.143 7.645 -6.980 1.00 0.00 N ATOM 1141 CA PHE A 72 1.745 8.011 -5.633 1.00 0.00 C ATOM 1142 C PHE A 72 2.222 9.422 -5.283 1.00 0.00 C ATOM 1143 O PHE A 72 1.735 10.028 -4.330 1.00 0.00 O ATOM 1144 CB PHE A 72 2.408 7.012 -4.681 1.00 0.00 C ATOM 1145 CG PHE A 72 1.445 6.371 -3.681 1.00 0.00 C ATOM 1146 CD1 PHE A 72 0.484 5.511 -4.118 1.00 0.00 C ATOM 1147 CD2 PHE A 72 1.548 6.658 -2.356 1.00 0.00 C ATOM 1148 CE1 PHE A 72 -0.409 4.915 -3.190 1.00 0.00 C ATOM 1149 CE2 PHE A 72 0.655 6.062 -1.428 1.00 0.00 C ATOM 1150 CZ PHE A 72 -0.306 5.202 -1.865 1.00 0.00 C ATOM 0 H PHE A 72 2.694 6.789 -7.044 1.00 0.00 H new ATOM 0 HA PHE A 72 0.658 7.992 -5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.882 6.226 -5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.200 7.520 -4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.401 5.283 -5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.310 7.340 -2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.171 4.233 -3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.738 6.290 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.986 4.748 -1.159 1.00 0.00 H new ATOM 1160 N LYS A 73 3.168 9.906 -6.074 1.00 0.00 N ATOM 1161 CA LYS A 73 3.718 11.234 -5.861 1.00 0.00 C ATOM 1162 C LYS A 73 2.779 12.272 -6.481 1.00 0.00 C ATOM 1163 O LYS A 73 2.636 13.376 -5.956 1.00 0.00 O ATOM 1164 CB LYS A 73 5.153 11.311 -6.385 1.00 0.00 C ATOM 1165 CG LYS A 73 5.908 12.477 -5.745 1.00 0.00 C ATOM 1166 CD LYS A 73 7.371 12.492 -6.188 1.00 0.00 C ATOM 1167 CE LYS A 73 8.258 13.155 -5.131 1.00 0.00 C ATOM 1168 NZ LYS A 73 8.532 14.563 -5.493 1.00 0.00 N ATOM 0 H LYS A 73 3.568 9.401 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 73 3.782 11.455 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.672 10.376 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.142 11.431 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.432 13.418 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.854 12.398 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.711 11.472 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.463 13.028 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.768 13.112 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.196 12.608 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.135 14.998 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.019 14.597 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.635 15.086 -5.557 1.00 0.00 H new ATOM 1182 N LYS A 74 2.167 11.884 -7.589 1.00 0.00 N ATOM 1183 CA LYS A 74 1.248 12.768 -8.285 1.00 0.00 C ATOM 1184 C LYS A 74 -0.182 12.476 -7.822 1.00 0.00 C ATOM 1185 O LYS A 74 -1.140 12.749 -8.545 1.00 0.00 O ATOM 1186 CB LYS A 74 1.439 12.654 -9.799 1.00 0.00 C ATOM 1187 CG LYS A 74 1.117 11.242 -10.289 1.00 0.00 C ATOM 1188 CD LYS A 74 0.442 11.277 -11.661 1.00 0.00 C ATOM 1189 CE LYS A 74 0.207 9.862 -12.194 1.00 0.00 C ATOM 1190 NZ LYS A 74 -0.348 9.910 -13.565 1.00 0.00 N ATOM 0 H LYS A 74 2.289 10.969 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 74 1.458 13.808 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.796 13.374 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.467 12.907 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.034 10.655 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.464 10.745 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.509 11.805 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.063 11.835 -12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.145 9.307 -12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.479 9.328 -11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.501 8.942 -13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.253 10.422 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.320 10.401 -14.193 1.00 0.00 H new ATOM 1204 N LEU A 75 -0.280 11.925 -6.621 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.578 11.595 -6.054 1.00 0.00 C ATOM 1206 C LEU A 75 -1.631 12.074 -4.603 1.00 0.00 C ATOM 1207 O LEU A 75 -0.610 12.454 -4.032 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.870 10.102 -6.220 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.852 9.570 -7.656 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.709 8.048 -7.675 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -3.087 10.040 -8.429 1.00 0.00 C ATOM 0 H LEU A 75 0.516 11.699 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.372 12.114 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.139 9.542 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.849 9.893 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.979 9.981 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.699 7.696 -8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.777 7.764 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.549 7.597 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.050 9.649 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.987 9.677 -7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.104 11.129 -8.460 1.00 0.00 H new ATOM 1223 N THR A 76 -2.833 12.041 -4.047 1.00 0.00 N ATOM 1224 CA THR A 76 -3.034 12.468 -2.672 1.00 0.00 C ATOM 1225 C THR A 76 -3.900 11.455 -1.921 1.00 0.00 C ATOM 1226 O THR A 76 -4.349 10.468 -2.499 1.00 0.00 O ATOM 1227 CB THR A 76 -3.631 13.877 -2.697 1.00 0.00 C ATOM 1228 OG1 THR A 76 -4.160 14.052 -1.386 1.00 0.00 O ATOM 1229 CG2 THR A 76 -4.853 13.979 -3.611 1.00 0.00 C ATOM 0 H THR A 76 -3.678 11.725 -4.523 1.00 0.00 H new ATOM 0 HA THR A 76 -2.090 12.509 -2.128 1.00 0.00 H new ATOM 0 HB THR A 76 -2.873 14.587 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.566 14.941 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.237 14.999 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.568 13.717 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.626 13.294 -3.263 1.00 0.00 H new ATOM 1237 N ARG A 77 -4.107 11.736 -0.643 1.00 0.00 N ATOM 1238 CA ARG A 77 -4.911 10.862 0.194 1.00 0.00 C ATOM 1239 C ARG A 77 -6.228 10.520 -0.505 1.00 0.00 C ATOM 1240 O ARG A 77 -6.888 9.543 -0.153 1.00 0.00 O ATOM 1241 CB ARG A 77 -5.213 11.516 1.544 1.00 0.00 C ATOM 1242 CG ARG A 77 -5.887 12.877 1.355 1.00 0.00 C ATOM 1243 CD ARG A 77 -6.200 13.527 2.704 1.00 0.00 C ATOM 1244 NE ARG A 77 -7.341 14.460 2.564 1.00 0.00 N ATOM 1245 CZ ARG A 77 -8.124 14.846 3.581 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -7.893 14.384 4.817 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -9.136 15.696 3.360 1.00 0.00 N ATOM 0 H ARG A 77 -3.732 12.556 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.339 9.950 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.860 10.864 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.288 11.639 2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.237 13.531 0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.807 12.755 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.436 12.759 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.324 14.063 3.071 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.544 14.832 1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.121 13.738 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.489 14.678 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.310 16.048 2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.733 15.991 4.133 1.00 0.00 H new ATOM 1261 N LYS A 78 -6.572 11.344 -1.486 1.00 0.00 N ATOM 1262 CA LYS A 78 -7.798 11.141 -2.238 1.00 0.00 C ATOM 1263 C LYS A 78 -7.482 10.370 -3.521 1.00 0.00 C ATOM 1264 O LYS A 78 -7.807 9.189 -3.637 1.00 0.00 O ATOM 1265 CB LYS A 78 -8.505 12.476 -2.480 1.00 0.00 C ATOM 1266 CG LYS A 78 -9.949 12.431 -1.977 1.00 0.00 C ATOM 1267 CD LYS A 78 -10.735 13.651 -2.460 1.00 0.00 C ATOM 1268 CE LYS A 78 -12.239 13.368 -2.467 1.00 0.00 C ATOM 1269 NZ LYS A 78 -12.987 14.524 -1.924 1.00 0.00 N ATOM 0 H LYS A 78 -6.022 12.153 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.500 10.534 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.964 13.275 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.494 12.710 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.432 11.520 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.958 12.396 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.525 14.503 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.408 13.924 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.571 13.158 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.450 12.479 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.006 14.315 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.682 14.706 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.799 15.364 -2.507 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.852 11.070 -4.454 1.00 0.00 N ATOM 1284 CA GLN A 79 -6.488 10.465 -5.725 1.00 0.00 C ATOM 1285 C GLN A 79 -6.035 9.020 -5.515 1.00 0.00 C ATOM 1286 O GLN A 79 -6.340 8.146 -6.324 1.00 0.00 O ATOM 1287 CB GLN A 79 -5.404 11.284 -6.430 1.00 0.00 C ATOM 1288 CG GLN A 79 -5.918 11.846 -7.756 1.00 0.00 C ATOM 1289 CD GLN A 79 -6.274 13.328 -7.625 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -7.430 13.717 -7.606 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -5.217 14.130 -7.532 1.00 0.00 N ATOM 0 H GLN A 79 -6.585 12.049 -4.355 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.368 10.458 -6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.083 12.101 -5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.530 10.658 -6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.159 11.718 -8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.796 11.285 -8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.276 13.738 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.348 15.137 -7.438 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.313 8.812 -4.423 1.00 0.00 N ATOM 1301 CA LYS A 80 -4.815 7.487 -4.096 1.00 0.00 C ATOM 1302 C LYS A 80 -5.997 6.546 -3.857 1.00 0.00 C ATOM 1303 O LYS A 80 -6.086 5.485 -4.473 1.00 0.00 O ATOM 1304 CB LYS A 80 -3.838 7.556 -2.920 1.00 0.00 C ATOM 1305 CG LYS A 80 -2.425 7.895 -3.401 1.00 0.00 C ATOM 1306 CD LYS A 80 -1.711 8.811 -2.405 1.00 0.00 C ATOM 1307 CE LYS A 80 -0.290 9.130 -2.873 1.00 0.00 C ATOM 1308 NZ LYS A 80 0.615 9.281 -1.713 1.00 0.00 N ATOM 0 H LYS A 80 -5.061 9.539 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.245 7.079 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.174 8.309 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.828 6.601 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.852 6.977 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.476 8.381 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.275 9.736 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.676 8.333 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.072 8.334 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.292 10.047 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.354 9.978 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.071 9.607 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.057 8.365 -1.496 1.00 0.00 H new ATOM 1322 N GLU A 81 -6.878 6.968 -2.961 1.00 0.00 N ATOM 1323 CA GLU A 81 -8.051 6.178 -2.634 1.00 0.00 C ATOM 1324 C GLU A 81 -8.744 5.701 -3.912 1.00 0.00 C ATOM 1325 O GLU A 81 -9.024 4.513 -4.065 1.00 0.00 O ATOM 1326 CB GLU A 81 -9.017 6.969 -1.749 1.00 0.00 C ATOM 1327 CG GLU A 81 -10.081 6.052 -1.142 1.00 0.00 C ATOM 1328 CD GLU A 81 -9.876 5.899 0.367 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -10.020 6.924 1.066 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -9.579 4.759 0.787 1.00 0.00 O ATOM 0 H GLU A 81 -6.802 7.848 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.728 5.302 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.463 7.465 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.498 7.750 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.073 6.460 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.038 5.073 -1.620 1.00 0.00 H new ATOM 1337 N GLN A 82 -9.000 6.653 -4.798 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.656 6.345 -6.059 1.00 0.00 C ATOM 1339 C GLN A 82 -8.711 5.558 -6.969 1.00 0.00 C ATOM 1340 O GLN A 82 -9.091 4.526 -7.519 1.00 0.00 O ATOM 1341 CB GLN A 82 -10.145 7.620 -6.748 1.00 0.00 C ATOM 1342 CG GLN A 82 -11.666 7.608 -6.905 1.00 0.00 C ATOM 1343 CD GLN A 82 -12.329 8.569 -5.916 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -12.869 9.601 -6.279 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -12.256 8.173 -4.647 1.00 0.00 N ATOM 0 H GLN A 82 -8.765 7.637 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.529 5.726 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.843 8.491 -6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.675 7.712 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.932 7.889 -7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.043 6.598 -6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.789 7.297 -4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.667 8.745 -3.910 1.00 0.00 H new ATOM 1354 N TYR A 83 -7.498 6.075 -7.099 1.00 0.00 N ATOM 1355 CA TYR A 83 -6.497 5.434 -7.933 1.00 0.00 C ATOM 1356 C TYR A 83 -6.518 3.915 -7.745 1.00 0.00 C ATOM 1357 O TYR A 83 -6.586 3.166 -8.718 1.00 0.00 O ATOM 1358 CB TYR A 83 -5.146 5.976 -7.462 1.00 0.00 C ATOM 1359 CG TYR A 83 -3.951 5.112 -7.875 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -3.964 4.448 -9.084 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -2.860 4.998 -7.037 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -2.841 3.637 -9.473 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -1.737 4.187 -7.425 1.00 0.00 C ATOM 1364 CZ TYR A 83 -1.782 3.546 -8.625 1.00 0.00 C ATOM 1365 OH TYR A 83 -0.720 2.779 -8.991 1.00 0.00 O ATOM 0 H TYR A 83 -7.186 6.931 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.686 5.640 -8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.010 6.981 -7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.160 6.064 -6.376 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.818 4.537 -9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.850 5.518 -6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.839 3.112 -10.417 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.877 4.089 -6.779 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.619 2.037 -8.359 1.00 0.00 H new ATOM 1375 N LEU A 84 -6.456 3.506 -6.486 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.466 2.091 -6.158 1.00 0.00 C ATOM 1377 C LEU A 84 -7.885 1.543 -6.324 1.00 0.00 C ATOM 1378 O LEU A 84 -8.070 0.355 -6.579 1.00 0.00 O ATOM 1379 CB LEU A 84 -5.877 1.859 -4.765 1.00 0.00 C ATOM 1380 CG LEU A 84 -4.397 2.209 -4.596 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -4.227 3.644 -4.094 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -3.694 1.198 -3.690 1.00 0.00 C ATOM 0 H LEU A 84 -6.399 4.130 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.827 1.537 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.452 2.443 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.014 0.809 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.919 2.151 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.166 3.867 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.670 4.335 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.724 3.754 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.644 1.470 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.167 1.199 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.769 0.203 -4.128 1.00 0.00 H new ATOM 1394 N LYS A 85 -8.851 2.438 -6.172 1.00 0.00 N ATOM 1395 CA LYS A 85 -10.248 2.060 -6.302 1.00 0.00 C ATOM 1396 C LYS A 85 -10.483 1.456 -7.688 1.00 0.00 C ATOM 1397 O LYS A 85 -10.928 0.317 -7.806 1.00 0.00 O ATOM 1398 CB LYS A 85 -11.157 3.251 -5.989 1.00 0.00 C ATOM 1399 CG LYS A 85 -12.609 2.801 -5.815 1.00 0.00 C ATOM 1400 CD LYS A 85 -13.459 3.915 -5.199 1.00 0.00 C ATOM 1401 CE LYS A 85 -14.951 3.626 -5.372 1.00 0.00 C ATOM 1402 NZ LYS A 85 -15.678 3.880 -4.108 1.00 0.00 N ATOM 0 H LYS A 85 -8.693 3.423 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.503 1.292 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.814 3.746 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.093 3.983 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.023 2.515 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.646 1.917 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.224 4.012 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.213 4.867 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.359 4.252 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.094 2.590 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.689 3.679 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.299 3.265 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.557 4.875 -3.832 1.00 0.00 H new ATOM 1416 N THR A 86 -10.170 2.248 -8.703 1.00 0.00 N ATOM 1417 CA THR A 86 -10.341 1.807 -10.077 1.00 0.00 C ATOM 1418 C THR A 86 -9.781 0.394 -10.258 1.00 0.00 C ATOM 1419 O THR A 86 -10.316 -0.396 -11.034 1.00 0.00 O ATOM 1420 CB THR A 86 -9.683 2.842 -10.992 1.00 0.00 C ATOM 1421 OG1 THR A 86 -10.466 2.801 -12.182 1.00 0.00 O ATOM 1422 CG2 THR A 86 -8.287 2.416 -11.450 1.00 0.00 C ATOM 0 H THR A 86 -9.799 3.193 -8.601 1.00 0.00 H new ATOM 0 HA THR A 86 -11.396 1.741 -10.342 1.00 0.00 H new ATOM 0 HB THR A 86 -9.618 3.797 -10.471 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.110 3.444 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.866 3.186 -12.097 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.644 2.281 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.355 1.477 -12.000 1.00 0.00 H new ATOM 1430 N PHE A 87 -8.711 0.119 -9.526 1.00 0.00 N ATOM 1431 CA PHE A 87 -8.072 -1.184 -9.594 1.00 0.00 C ATOM 1432 C PHE A 87 -8.816 -2.206 -8.732 1.00 0.00 C ATOM 1433 O PHE A 87 -8.932 -3.372 -9.105 1.00 0.00 O ATOM 1434 CB PHE A 87 -6.651 -1.015 -9.053 1.00 0.00 C ATOM 1435 CG PHE A 87 -5.934 -2.336 -8.764 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -6.190 -3.010 -7.610 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -5.041 -2.834 -9.659 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -5.524 -4.235 -7.343 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -4.375 -4.060 -9.391 1.00 0.00 C ATOM 1440 CZ PHE A 87 -4.632 -4.735 -8.239 1.00 0.00 C ATOM 0 H PHE A 87 -8.271 0.777 -8.883 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.075 -1.546 -10.622 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.064 -0.445 -9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.690 -0.426 -8.136 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.899 -2.614 -6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.838 -2.298 -10.574 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.726 -4.770 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.665 -4.456 -10.102 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.128 -5.668 -8.036 1.00 0.00 H new ATOM 1450 N HIS A 88 -9.302 -1.730 -7.594 1.00 0.00 N ATOM 1451 CA HIS A 88 -10.032 -2.586 -6.675 1.00 0.00 C ATOM 1452 C HIS A 88 -11.390 -2.947 -7.279 1.00 0.00 C ATOM 1453 O HIS A 88 -12.075 -3.841 -6.785 1.00 0.00 O ATOM 1454 CB HIS A 88 -10.150 -1.931 -5.299 1.00 0.00 C ATOM 1455 CG HIS A 88 -9.572 -2.756 -4.173 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -10.027 -2.666 -2.868 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -8.575 -3.685 -4.172 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -9.325 -3.509 -2.124 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -8.427 -4.139 -2.932 1.00 0.00 N ATOM 0 H HIS A 88 -9.204 -0.762 -7.288 1.00 0.00 H new ATOM 0 HA HIS A 88 -9.482 -3.515 -6.524 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.646 -0.965 -5.324 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.202 -1.736 -5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.003 -3.999 -5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -9.444 -3.669 -1.063 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.752 -4.843 -2.634 1.00 0.00 H new ATOM 1467 N LEU A 89 -11.737 -2.234 -8.341 1.00 0.00 N ATOM 1468 CA LEU A 89 -13.002 -2.468 -9.018 1.00 0.00 C ATOM 1469 C LEU A 89 -12.917 -3.775 -9.810 1.00 0.00 C ATOM 1470 O LEU A 89 -13.821 -4.606 -9.741 1.00 0.00 O ATOM 1471 CB LEU A 89 -13.386 -1.256 -9.870 1.00 0.00 C ATOM 1472 CG LEU A 89 -14.652 -0.512 -9.443 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -15.770 -1.492 -9.082 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -14.356 0.465 -8.304 1.00 0.00 C ATOM 0 H LEU A 89 -11.165 -1.495 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.807 -2.586 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.554 -0.552 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.513 -1.587 -10.901 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.003 0.078 -10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.658 -0.936 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -16.005 -2.111 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.445 -2.128 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.273 0.981 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.967 -0.083 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.617 1.195 -8.634 1.00 0.00 H new ATOM 1486 N GLU A 90 -11.822 -3.915 -10.542 1.00 0.00 N ATOM 1487 CA GLU A 90 -11.609 -5.107 -11.347 1.00 0.00 C ATOM 1488 C GLU A 90 -10.158 -5.579 -11.220 1.00 0.00 C ATOM 1489 O GLU A 90 -9.250 -4.963 -11.775 1.00 0.00 O ATOM 1490 CB GLU A 90 -11.976 -4.855 -12.810 1.00 0.00 C ATOM 1491 CG GLU A 90 -13.449 -5.185 -13.069 1.00 0.00 C ATOM 1492 CD GLU A 90 -14.241 -3.923 -13.416 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -13.745 -3.160 -14.274 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -15.323 -3.750 -12.816 1.00 0.00 O ATOM 0 H GLU A 90 -11.073 -3.224 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.263 -5.895 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.783 -3.813 -13.063 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.344 -5.463 -13.457 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.526 -5.903 -13.885 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.880 -5.658 -12.187 1.00 0.00 H new ATOM 1501 N HIS A 91 -9.986 -6.669 -10.486 1.00 0.00 N ATOM 1502 CA HIS A 91 -8.662 -7.231 -10.279 1.00 0.00 C ATOM 1503 C HIS A 91 -8.027 -7.556 -11.632 1.00 0.00 C ATOM 1504 O HIS A 91 -8.730 -7.850 -12.598 1.00 0.00 O ATOM 1505 CB HIS A 91 -8.726 -8.441 -9.346 1.00 0.00 C ATOM 1506 CG HIS A 91 -7.375 -8.915 -8.863 1.00 0.00 C ATOM 1507 ND1 HIS A 91 -6.903 -10.195 -9.097 1.00 0.00 N ATOM 1508 CD2 HIS A 91 -6.404 -8.269 -8.157 1.00 0.00 C ATOM 1509 CE1 HIS A 91 -5.700 -10.302 -8.551 1.00 0.00 C ATOM 1510 NE2 HIS A 91 -5.393 -9.107 -7.970 1.00 0.00 N ATOM 0 H HIS A 91 -10.742 -7.178 -10.027 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.024 -6.499 -9.784 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.342 -8.189 -8.482 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.224 -9.261 -9.864 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.450 -7.248 -7.809 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.073 -11.181 -8.564 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.528 -8.893 -7.473 1.00 0.00 H new ATOM 1518 N HIS A 92 -6.703 -7.497 -11.658 1.00 0.00 N ATOM 1519 CA HIS A 92 -5.965 -7.782 -12.877 1.00 0.00 C ATOM 1520 C HIS A 92 -6.407 -6.820 -13.981 1.00 0.00 C ATOM 1521 O HIS A 92 -7.388 -6.095 -13.823 1.00 0.00 O ATOM 1522 CB HIS A 92 -6.119 -9.251 -13.273 1.00 0.00 C ATOM 1523 CG HIS A 92 -5.379 -10.212 -12.373 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -5.811 -11.505 -12.137 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -4.230 -10.054 -11.654 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -4.956 -12.088 -11.311 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -3.977 -11.187 -11.013 1.00 0.00 N ATOM 0 H HIS A 92 -6.123 -7.256 -10.854 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.900 -7.621 -12.709 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.178 -9.508 -13.269 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -5.763 -9.380 -14.295 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.628 -9.158 -11.614 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.022 -13.100 -10.939 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.181 -11.357 -10.398 1.00 0.00 H new ATOM 1535 N HIS A 93 -5.662 -6.845 -15.076 1.00 0.00 N ATOM 1536 CA HIS A 93 -5.964 -5.986 -16.208 1.00 0.00 C ATOM 1537 C HIS A 93 -5.521 -6.667 -17.503 1.00 0.00 C ATOM 1538 O HIS A 93 -6.340 -6.931 -18.383 1.00 0.00 O ATOM 1539 CB HIS A 93 -5.338 -4.603 -16.021 1.00 0.00 C ATOM 1540 CG HIS A 93 -4.950 -3.923 -17.313 1.00 0.00 C ATOM 1541 ND1 HIS A 93 -3.653 -3.531 -17.595 1.00 0.00 N ATOM 1542 CD2 HIS A 93 -5.702 -3.573 -18.396 1.00 0.00 C ATOM 1543 CE1 HIS A 93 -3.637 -2.970 -18.795 1.00 0.00 C ATOM 1544 NE2 HIS A 93 -4.909 -2.996 -19.290 1.00 0.00 N ATOM 0 H HIS A 93 -4.849 -7.447 -15.203 1.00 0.00 H new ATOM 0 HA HIS A 93 -7.041 -5.829 -16.273 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -6.042 -3.967 -15.485 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -4.452 -4.699 -15.393 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -6.764 -3.738 -18.507 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.770 -2.563 -19.294 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.201 -2.632 -20.197 1.00 0.00 H new ATOM 1552 N HIS A 94 -4.224 -6.932 -17.582 1.00 0.00 N ATOM 1553 CA HIS A 94 -3.662 -7.579 -18.756 1.00 0.00 C ATOM 1554 C HIS A 94 -4.134 -9.032 -18.817 1.00 0.00 C ATOM 1555 O HIS A 94 -4.391 -9.650 -17.784 1.00 0.00 O ATOM 1556 CB HIS A 94 -2.139 -7.448 -18.769 1.00 0.00 C ATOM 1557 CG HIS A 94 -1.568 -7.048 -20.110 1.00 0.00 C ATOM 1558 ND1 HIS A 94 -1.566 -5.742 -20.564 1.00 0.00 N ATOM 1559 CD2 HIS A 94 -0.979 -7.797 -21.086 1.00 0.00 C ATOM 1560 CE1 HIS A 94 -1.002 -5.717 -21.763 1.00 0.00 C ATOM 1561 NE2 HIS A 94 -0.638 -6.991 -22.084 1.00 0.00 N ATOM 0 H HIS A 94 -3.547 -6.710 -16.852 1.00 0.00 H new ATOM 0 HA HIS A 94 -4.019 -7.081 -19.657 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.842 -6.710 -18.024 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.700 -8.399 -18.468 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.818 -8.864 -21.052 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.856 -4.841 -22.378 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.179 -7.278 -22.949 1.00 0.00 H new ATOM 1569 N HIS A 95 -4.234 -9.537 -20.039 1.00 0.00 N ATOM 1570 CA HIS A 95 -4.670 -10.907 -20.248 1.00 0.00 C ATOM 1571 C HIS A 95 -3.553 -11.703 -20.924 1.00 0.00 C ATOM 1572 O HIS A 95 -3.037 -12.664 -20.354 1.00 0.00 O ATOM 1573 CB HIS A 95 -5.983 -10.944 -21.032 1.00 0.00 C ATOM 1574 CG HIS A 95 -7.210 -10.679 -20.190 1.00 0.00 C ATOM 1575 ND1 HIS A 95 -7.793 -11.646 -19.390 1.00 0.00 N ATOM 1576 CD2 HIS A 95 -7.954 -9.547 -20.031 1.00 0.00 C ATOM 1577 CE1 HIS A 95 -8.840 -11.110 -18.782 1.00 0.00 C ATOM 1578 NE2 HIS A 95 -8.939 -9.808 -19.182 1.00 0.00 N ATOM 0 H HIS A 95 -4.021 -9.022 -20.893 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.874 -11.379 -19.287 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.937 -10.205 -21.832 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.084 -11.921 -21.506 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.772 -8.599 -20.515 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.500 -11.614 -18.091 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.653 -9.146 -18.878 1.00 0.00 H new ATOM 1586 N HIS A 96 -3.214 -11.275 -22.132 1.00 0.00 N ATOM 1587 CA HIS A 96 -2.168 -11.938 -22.892 1.00 0.00 C ATOM 1588 C HIS A 96 -1.591 -10.967 -23.926 1.00 0.00 C ATOM 1589 O HIS A 96 -0.501 -11.186 -24.448 1.00 0.00 O ATOM 1590 CB HIS A 96 -2.686 -13.232 -23.520 1.00 0.00 C ATOM 1591 CG HIS A 96 -1.605 -14.112 -24.102 1.00 0.00 C ATOM 1592 ND1 HIS A 96 -1.517 -14.397 -25.452 1.00 0.00 N ATOM 1593 CD2 HIS A 96 -0.568 -14.762 -23.502 1.00 0.00 C ATOM 1594 CE1 HIS A 96 -0.472 -15.187 -25.646 1.00 0.00 C ATOM 1595 NE2 HIS A 96 0.116 -15.412 -24.435 1.00 0.00 N ATOM 0 H HIS A 96 -3.645 -10.479 -22.602 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.358 -12.228 -22.223 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.231 -13.797 -22.764 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -3.398 -12.982 -24.306 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.341 -14.750 -22.446 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.143 -15.583 -26.595 1.00 0.00 H new ATOM 0 HE2 HIS A 96 0.944 -15.985 -24.274 1.00 0.00 H new TER 1603 HIS A 96