USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 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 130 HIS : no HE2:sc= 1.06 K(o=2.2,f=-3.2) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 1.17 K(o=2.2,f=-7.5!) USER MOD Set 2.1: A 121 GLN : amide:sc= 1.42 K(o=2,f=-2.1!) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.583 K(o=2,f=-3.2) USER MOD Set 3.1: A 4 THR OG1 : rot -79:sc= 0.765 USER MOD Set 3.2: A 104 SER OG : rot 180:sc= 0.675 USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.445 USER MOD Set 4.2: A 100 THR OG1 : rot -69:sc= 0.482 USER MOD Set 5.1: A 20 TYR OH : rot 30:sc= 0.0299 USER MOD Set 5.2: A 81 TYR OH : rot -26:sc= 0.553 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0383 (180deg=-0.349) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0012 (180deg=-0.168) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 7 THR OG1 : rot 150:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 34:sc= 0.478 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 150:sc= 0 USER MOD Single : A 71 THR OG1 : rot 164:sc= 0.202 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0139 X(o=-0.014,f=4e-05) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 109 THR OG1 : rot -21:sc= 0.184 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.25) USER MOD Single : A 116 GLN : amide:sc= 0.297 K(o=0.3,f=-2.8!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 126 ASN : amide:sc= -0.0344 K(o=-0.034,f=-1.3!) USER MOD Single : A 128 LYS NZ :NH3+ -174:sc= 0.862 (180deg=0.838) USER MOD Single : A 133 SER OG : rot -24:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.258 13.142 13.660 1.00 0.00 N ATOM 2 CA MET A 1 -0.506 13.443 12.448 1.00 0.00 C ATOM 3 C MET A 1 -0.902 12.502 11.314 1.00 0.00 C ATOM 4 O MET A 1 -0.684 11.294 11.392 1.00 0.00 O ATOM 5 CB MET A 1 0.994 13.346 12.718 1.00 0.00 C ATOM 6 CG MET A 1 1.523 14.371 13.712 1.00 0.00 C ATOM 7 SD MET A 1 1.354 16.066 13.117 1.00 0.00 S ATOM 8 CE MET A 1 2.555 16.079 11.788 1.00 0.00 C ATOM 0 H1 MET A 1 -1.114 13.901 14.356 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.270 13.069 13.432 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.928 12.240 14.059 1.00 0.00 H new ATOM 0 HA MET A 1 -0.744 14.462 12.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.220 12.347 13.091 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.529 13.463 11.775 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.988 14.266 14.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.574 14.165 13.917 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.778 17.109 11.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.469 15.587 12.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.149 15.549 10.926 1.00 0.00 H new ATOM 20 N ASN A 2 -1.488 13.065 10.262 1.00 0.00 N ATOM 21 CA ASN A 2 -1.764 12.309 9.045 1.00 0.00 C ATOM 22 C ASN A 2 -0.669 12.532 8.006 1.00 0.00 C ATOM 23 O ASN A 2 -0.315 13.669 7.696 1.00 0.00 O ATOM 24 CB ASN A 2 -3.121 12.664 8.465 1.00 0.00 C ATOM 25 CG ASN A 2 -4.275 12.282 9.350 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.512 11.099 9.621 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.042 13.270 9.734 1.00 0.00 N ATOM 0 H ASN A 2 -1.781 14.041 10.228 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.779 11.253 9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.157 13.737 8.279 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.235 12.169 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.880 13.081 10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.802 14.229 9.484 1.00 0.00 H new ATOM 34 N ILE A 3 -0.136 11.437 7.472 1.00 0.00 N ATOM 35 CA ILE A 3 0.900 11.513 6.450 1.00 0.00 C ATOM 36 C ILE A 3 0.360 11.090 5.088 1.00 0.00 C ATOM 37 O ILE A 3 -0.305 10.061 4.963 1.00 0.00 O ATOM 38 CB ILE A 3 2.111 10.633 6.809 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.715 11.075 8.145 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.156 10.691 5.705 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.745 10.115 8.696 1.00 0.00 C ATOM 0 H ILE A 3 -0.405 10.488 7.731 1.00 0.00 H new ATOM 0 HA ILE A 3 1.221 12.553 6.402 1.00 0.00 H new ATOM 0 HB ILE A 3 1.773 9.602 6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.176 12.055 8.018 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.914 11.192 8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.005 10.063 5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.721 10.331 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.492 11.720 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.127 10.496 9.643 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.285 9.140 8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.567 10.016 7.987 1.00 0.00 H new ATOM 53 N THR A 4 0.655 11.890 4.067 1.00 0.00 N ATOM 54 CA THR A 4 0.218 11.588 2.710 1.00 0.00 C ATOM 55 C THR A 4 1.409 11.378 1.783 1.00 0.00 C ATOM 56 O THR A 4 2.354 12.168 1.782 1.00 0.00 O ATOM 57 CB THR A 4 -0.673 12.708 2.141 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.848 12.846 2.950 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.081 12.390 0.711 1.00 0.00 C ATOM 0 H THR A 4 1.194 12.751 4.155 1.00 0.00 H new ATOM 0 HA THR A 4 -0.363 10.667 2.764 1.00 0.00 H new ATOM 0 HB THR A 4 -0.108 13.640 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.492 12.146 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.710 13.192 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.190 12.297 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.636 11.452 0.691 1.00 0.00 H new ATOM 67 N VAL A 5 1.359 10.311 0.994 1.00 0.00 N ATOM 68 CA VAL A 5 2.402 10.033 0.015 1.00 0.00 C ATOM 69 C VAL A 5 1.804 9.679 -1.343 1.00 0.00 C ATOM 70 O VAL A 5 0.695 9.153 -1.424 1.00 0.00 O ATOM 71 CB VAL A 5 3.319 8.885 0.476 1.00 0.00 C ATOM 72 CG1 VAL A 5 4.182 9.330 1.648 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.494 7.665 0.857 1.00 0.00 C ATOM 0 H VAL A 5 0.606 9.623 1.014 1.00 0.00 H new ATOM 0 HA VAL A 5 2.995 10.943 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 5 3.974 8.614 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.824 8.506 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.799 10.176 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.542 9.627 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.158 6.863 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.815 7.924 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.917 7.332 -0.006 1.00 0.00 H new ATOM 83 N GLU A 6 2.546 9.974 -2.406 1.00 0.00 N ATOM 84 CA GLU A 6 2.019 9.858 -3.760 1.00 0.00 C ATOM 85 C GLU A 6 3.055 9.240 -4.695 1.00 0.00 C ATOM 86 O GLU A 6 4.255 9.479 -4.557 1.00 0.00 O ATOM 87 CB GLU A 6 1.583 11.227 -4.286 1.00 0.00 C ATOM 88 CG GLU A 6 0.417 11.849 -3.530 1.00 0.00 C ATOM 89 CD GLU A 6 0.053 13.194 -4.095 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.889 14.066 -4.084 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.018 13.317 -4.640 1.00 0.00 O ATOM 0 H GLU A 6 3.513 10.295 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 6 1.149 9.202 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.433 11.907 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.308 11.129 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.447 11.186 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.678 11.953 -2.477 1.00 0.00 H new ATOM 98 N THR A 7 2.582 8.445 -5.650 1.00 0.00 N ATOM 99 CA THR A 7 3.419 7.997 -6.756 1.00 0.00 C ATOM 100 C THR A 7 2.620 7.915 -8.052 1.00 0.00 C ATOM 101 O THR A 7 1.480 7.449 -8.062 1.00 0.00 O ATOM 102 CB THR A 7 4.052 6.624 -6.466 1.00 0.00 C ATOM 103 OG1 THR A 7 4.987 6.297 -7.501 1.00 0.00 O ATOM 104 CG2 THR A 7 2.979 5.547 -6.399 1.00 0.00 C ATOM 0 H THR A 7 1.623 8.098 -5.679 1.00 0.00 H new ATOM 0 HA THR A 7 4.213 8.735 -6.868 1.00 0.00 H new ATOM 0 HB THR A 7 4.566 6.673 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.702 5.737 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.444 4.583 -6.193 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.272 5.786 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.451 5.500 -7.351 1.00 0.00 H new ATOM 112 N THR A 8 3.226 8.369 -9.145 1.00 0.00 N ATOM 113 CA THR A 8 2.591 8.300 -10.454 1.00 0.00 C ATOM 114 C THR A 8 3.249 7.239 -11.330 1.00 0.00 C ATOM 115 O THR A 8 4.452 7.296 -11.591 1.00 0.00 O ATOM 116 CB THR A 8 2.643 9.657 -11.180 1.00 0.00 C ATOM 117 OG1 THR A 8 1.922 10.636 -10.421 1.00 0.00 O ATOM 118 CG2 THR A 8 2.029 9.544 -12.567 1.00 0.00 C ATOM 0 H THR A 8 4.156 8.788 -9.149 1.00 0.00 H new ATOM 0 HA THR A 8 1.549 8.031 -10.284 1.00 0.00 H new ATOM 0 HB THR A 8 3.686 9.959 -11.279 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.957 11.499 -10.883 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.075 10.512 -13.065 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.583 8.809 -13.151 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.989 9.229 -12.480 1.00 0.00 H new ATOM 126 N VAL A 9 2.456 6.274 -11.782 1.00 0.00 N ATOM 127 CA VAL A 9 2.982 5.139 -12.530 1.00 0.00 C ATOM 128 C VAL A 9 2.378 5.074 -13.929 1.00 0.00 C ATOM 129 O VAL A 9 1.216 5.429 -14.130 1.00 0.00 O ATOM 130 CB VAL A 9 2.714 3.809 -11.802 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.351 3.820 -10.420 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.218 3.552 -11.696 1.00 0.00 C ATOM 0 H VAL A 9 1.446 6.255 -11.643 1.00 0.00 H new ATOM 0 HA VAL A 9 4.059 5.287 -12.610 1.00 0.00 H new ATOM 0 HB VAL A 9 3.163 3.003 -12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.151 2.872 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.428 3.960 -10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.931 4.636 -9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.047 2.608 -11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.748 4.362 -11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.786 3.502 -12.695 1.00 0.00 H new ATOM 142 N ALA A 10 3.172 4.619 -14.890 1.00 0.00 N ATOM 143 CA ALA A 10 2.695 4.437 -16.255 1.00 0.00 C ATOM 144 C ALA A 10 2.018 3.081 -16.424 1.00 0.00 C ATOM 145 O ALA A 10 2.590 2.159 -17.007 1.00 0.00 O ATOM 146 CB ALA A 10 3.844 4.583 -17.241 1.00 0.00 C ATOM 0 H ALA A 10 4.151 4.369 -14.749 1.00 0.00 H new ATOM 0 HA ALA A 10 1.955 5.211 -16.461 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.472 4.444 -18.256 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.280 5.578 -17.147 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.604 3.832 -17.027 1.00 0.00 H new ATOM 152 N ALA A 11 0.797 2.966 -15.912 1.00 0.00 N ATOM 153 CA ALA A 11 0.037 1.726 -16.021 1.00 0.00 C ATOM 154 C ALA A 11 -1.460 1.988 -15.903 1.00 0.00 C ATOM 155 O ALA A 11 -1.899 2.957 -15.284 1.00 0.00 O ATOM 156 CB ALA A 11 0.487 0.736 -14.956 1.00 0.00 C ATOM 0 H ALA A 11 0.313 3.716 -15.418 1.00 0.00 H new ATOM 0 HA ALA A 11 0.228 1.297 -17.005 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.089 -0.185 -15.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.547 0.517 -15.088 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.326 1.166 -13.968 1.00 0.00 H new ATOM 162 N PRO A 12 -2.265 1.105 -16.514 1.00 0.00 N ATOM 163 CA PRO A 12 -3.727 1.213 -16.479 1.00 0.00 C ATOM 164 C PRO A 12 -4.288 1.039 -15.072 1.00 0.00 C ATOM 165 O PRO A 12 -3.741 0.291 -14.263 1.00 0.00 O ATOM 166 CB PRO A 12 -4.202 0.102 -17.421 1.00 0.00 C ATOM 167 CG PRO A 12 -3.076 -0.874 -17.442 1.00 0.00 C ATOM 168 CD PRO A 12 -1.825 -0.041 -17.336 1.00 0.00 C ATOM 0 HA PRO A 12 -4.072 2.200 -16.786 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.121 -0.359 -17.059 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.411 0.489 -18.418 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.151 -1.578 -16.614 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.081 -1.461 -18.361 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.012 -0.591 -16.862 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.466 0.277 -18.315 1.00 0.00 H new ATOM 176 N VAL A 13 -5.383 1.737 -14.786 1.00 0.00 N ATOM 177 CA VAL A 13 -5.890 1.842 -13.422 1.00 0.00 C ATOM 178 C VAL A 13 -6.175 0.463 -12.836 1.00 0.00 C ATOM 179 O VAL A 13 -5.906 0.209 -11.662 1.00 0.00 O ATOM 180 CB VAL A 13 -7.172 2.692 -13.359 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.789 2.622 -11.970 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.873 4.135 -13.735 1.00 0.00 C ATOM 0 H VAL A 13 -5.936 2.238 -15.481 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.114 2.331 -12.833 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.888 2.290 -14.076 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.694 3.228 -11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.038 1.587 -11.734 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.077 3.000 -11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.790 4.722 -13.685 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.140 4.547 -13.041 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.474 4.172 -14.749 1.00 0.00 H new ATOM 192 N GLY A 14 -6.721 -0.425 -13.661 1.00 0.00 N ATOM 193 CA GLY A 14 -7.089 -1.748 -13.191 1.00 0.00 C ATOM 194 C GLY A 14 -5.897 -2.535 -12.684 1.00 0.00 C ATOM 195 O GLY A 14 -5.959 -3.154 -11.622 1.00 0.00 O ATOM 0 H GLY A 14 -6.915 -0.252 -14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.825 -1.655 -12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.566 -2.299 -14.002 1.00 0.00 H new ATOM 199 N LYS A 15 -4.808 -2.513 -13.445 1.00 0.00 N ATOM 200 CA LYS A 15 -3.583 -3.197 -13.048 1.00 0.00 C ATOM 201 C LYS A 15 -2.959 -2.529 -11.828 1.00 0.00 C ATOM 202 O LYS A 15 -2.445 -3.203 -10.933 1.00 0.00 O ATOM 203 CB LYS A 15 -2.585 -3.223 -14.206 1.00 0.00 C ATOM 204 CG LYS A 15 -2.974 -4.147 -15.353 1.00 0.00 C ATOM 205 CD LYS A 15 -1.885 -4.201 -16.415 1.00 0.00 C ATOM 206 CE LYS A 15 -2.294 -5.086 -17.583 1.00 0.00 C ATOM 207 NZ LYS A 15 -1.239 -5.144 -18.631 1.00 0.00 N ATOM 0 H LYS A 15 -4.749 -2.029 -14.341 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.839 -4.223 -12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.471 -2.211 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.611 -3.529 -13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.159 -5.150 -14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.905 -3.801 -15.802 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.675 -3.194 -16.775 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.963 -4.580 -15.974 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.501 -6.093 -17.220 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.219 -4.707 -18.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.556 -5.757 -19.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.059 -4.187 -18.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.364 -5.529 -18.222 1.00 0.00 H new ATOM 221 N VAL A 16 -3.007 -1.201 -11.794 1.00 0.00 N ATOM 222 CA VAL A 16 -2.430 -0.442 -10.691 1.00 0.00 C ATOM 223 C VAL A 16 -3.151 -0.741 -9.383 1.00 0.00 C ATOM 224 O VAL A 16 -2.518 -0.998 -8.358 1.00 0.00 O ATOM 225 CB VAL A 16 -2.482 1.073 -10.961 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.077 1.850 -9.717 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.581 1.438 -12.132 1.00 0.00 C ATOM 0 H VAL A 16 -3.440 -0.628 -12.518 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.388 -0.750 -10.607 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.507 1.341 -11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.119 2.919 -9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.760 1.612 -8.901 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.061 1.576 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.631 2.513 -12.308 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.554 1.155 -11.903 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.913 0.908 -13.025 1.00 0.00 H new ATOM 237 N TRP A 17 -4.478 -0.707 -9.423 1.00 0.00 N ATOM 238 CA TRP A 17 -5.286 -0.981 -8.240 1.00 0.00 C ATOM 239 C TRP A 17 -5.122 -2.430 -7.794 1.00 0.00 C ATOM 240 O TRP A 17 -4.950 -2.708 -6.607 1.00 0.00 O ATOM 241 CB TRP A 17 -6.759 -0.685 -8.524 1.00 0.00 C ATOM 242 CG TRP A 17 -7.655 -0.941 -7.349 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.975 -0.060 -6.356 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.340 -2.160 -7.043 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.819 -0.658 -5.453 1.00 0.00 N ATOM 246 CE2 TRP A 17 -9.060 -1.945 -5.852 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.419 -3.411 -7.662 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.845 -2.936 -5.267 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.198 -4.393 -7.082 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.903 -4.152 -5.894 1.00 0.00 C ATOM 0 H TRP A 17 -5.017 -0.492 -10.262 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.941 -0.331 -7.436 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.860 0.357 -8.829 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.090 -1.296 -9.364 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.617 0.957 -6.291 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.204 -0.215 -4.619 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.880 -3.606 -8.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.388 -2.752 -4.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.265 -5.363 -7.552 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.503 -4.941 -5.465 1.00 0.00 H new ATOM 261 N ARG A 18 -5.177 -3.350 -8.752 1.00 0.00 N ATOM 262 CA ARG A 18 -5.074 -4.773 -8.452 1.00 0.00 C ATOM 263 C ARG A 18 -3.699 -5.111 -7.884 1.00 0.00 C ATOM 264 O ARG A 18 -3.574 -5.940 -6.984 1.00 0.00 O ATOM 265 CB ARG A 18 -5.412 -5.640 -9.655 1.00 0.00 C ATOM 266 CG ARG A 18 -6.893 -5.720 -9.990 1.00 0.00 C ATOM 267 CD ARG A 18 -7.206 -6.546 -11.185 1.00 0.00 C ATOM 268 NE ARG A 18 -8.623 -6.634 -11.502 1.00 0.00 N ATOM 269 CZ ARG A 18 -9.136 -7.349 -12.522 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.354 -8.009 -13.347 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.447 -7.350 -12.686 1.00 0.00 N ATOM 0 H ARG A 18 -5.292 -3.135 -9.742 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.818 -4.999 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.878 -5.255 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.040 -6.649 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.426 -6.128 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.272 -4.711 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.679 -6.133 -12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.819 -7.553 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.274 -6.118 -10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.342 -7.985 -13.220 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.759 -8.546 -14.114 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.041 -6.819 -12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.865 -7.882 -13.449 1.00 0.00 H new ATOM 285 N ALA A 19 -2.668 -4.462 -8.417 1.00 0.00 N ATOM 286 CA ALA A 19 -1.303 -4.689 -7.961 1.00 0.00 C ATOM 287 C ALA A 19 -1.121 -4.227 -6.520 1.00 0.00 C ATOM 288 O ALA A 19 -0.372 -4.833 -5.753 1.00 0.00 O ATOM 289 CB ALA A 19 -0.316 -3.978 -8.874 1.00 0.00 C ATOM 0 H ALA A 19 -2.753 -3.774 -9.166 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.108 -5.761 -7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.700 -4.156 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.420 -4.360 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.520 -2.907 -8.867 1.00 0.00 H new ATOM 295 N TYR A 20 -1.811 -3.151 -6.156 1.00 0.00 N ATOM 296 CA TYR A 20 -1.688 -2.580 -4.821 1.00 0.00 C ATOM 297 C TYR A 20 -2.244 -3.534 -3.768 1.00 0.00 C ATOM 298 O TYR A 20 -1.842 -3.496 -2.604 1.00 0.00 O ATOM 299 CB TYR A 20 -2.411 -1.232 -4.746 1.00 0.00 C ATOM 300 CG TYR A 20 -2.243 -0.520 -3.422 1.00 0.00 C ATOM 301 CD1 TYR A 20 -1.082 0.182 -3.132 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.249 -0.550 -2.467 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.924 0.834 -1.924 1.00 0.00 C ATOM 304 CE2 TYR A 20 -3.101 0.099 -1.256 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.938 0.790 -0.989 1.00 0.00 C ATOM 306 OH TYR A 20 -1.786 1.439 0.216 1.00 0.00 O ATOM 0 H TYR A 20 -2.461 -2.657 -6.768 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.629 -2.423 -4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.041 -0.588 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.474 -1.390 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.288 0.220 -3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.162 -1.089 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.013 1.374 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.893 0.065 -0.522 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.206 2.220 0.096 1.00 0.00 H new ATOM 316 N THR A 21 -3.171 -4.391 -4.184 1.00 0.00 N ATOM 317 CA THR A 21 -3.840 -5.302 -3.264 1.00 0.00 C ATOM 318 C THR A 21 -3.514 -6.753 -3.593 1.00 0.00 C ATOM 319 O THR A 21 -4.233 -7.669 -3.189 1.00 0.00 O ATOM 320 CB THR A 21 -5.368 -5.110 -3.289 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.855 -5.310 -4.623 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.737 -3.709 -2.824 1.00 0.00 C ATOM 0 H THR A 21 -3.476 -4.473 -5.154 1.00 0.00 H new ATOM 0 HA THR A 21 -3.471 -5.067 -2.265 1.00 0.00 H new ATOM 0 HB THR A 21 -5.822 -5.837 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.827 -5.189 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.820 -3.591 -2.848 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.378 -3.557 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.277 -2.974 -3.484 1.00 0.00 H new ATOM 330 N THR A 22 -2.427 -6.960 -4.328 1.00 0.00 N ATOM 331 CA THR A 22 -1.890 -8.298 -4.541 1.00 0.00 C ATOM 332 C THR A 22 -0.736 -8.585 -3.588 1.00 0.00 C ATOM 333 O THR A 22 0.251 -7.851 -3.528 1.00 0.00 O ATOM 334 CB THR A 22 -1.407 -8.488 -5.991 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.513 -8.340 -6.889 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.793 -9.868 -6.171 1.00 0.00 C ATOM 0 H THR A 22 -1.900 -6.217 -4.787 1.00 0.00 H new ATOM 0 HA THR A 22 -2.702 -8.999 -4.345 1.00 0.00 H new ATOM 0 HB THR A 22 -0.651 -7.734 -6.208 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.729 -7.389 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.457 -9.985 -7.201 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.057 -9.979 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.538 -10.630 -5.943 1.00 0.00 H new ATOM 344 N PRO A 23 -0.858 -9.680 -2.823 1.00 0.00 N ATOM 345 CA PRO A 23 0.138 -10.057 -1.814 1.00 0.00 C ATOM 346 C PRO A 23 1.489 -10.395 -2.435 1.00 0.00 C ATOM 347 O PRO A 23 2.538 -10.064 -1.880 1.00 0.00 O ATOM 348 CB PRO A 23 -0.486 -11.268 -1.114 1.00 0.00 C ATOM 349 CG PRO A 23 -1.485 -11.788 -2.090 1.00 0.00 C ATOM 350 CD PRO A 23 -2.020 -10.572 -2.800 1.00 0.00 C ATOM 0 HA PRO A 23 0.354 -9.241 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.266 -12.020 -0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.960 -10.983 -0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.024 -12.482 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.283 -12.331 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.369 -10.810 -3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.861 -10.129 -2.267 1.00 0.00 H new ATOM 358 N GLU A 24 1.458 -11.056 -3.588 1.00 0.00 N ATOM 359 CA GLU A 24 2.680 -11.392 -4.308 1.00 0.00 C ATOM 360 C GLU A 24 3.455 -10.132 -4.683 1.00 0.00 C ATOM 361 O GLU A 24 4.686 -10.114 -4.650 1.00 0.00 O ATOM 362 CB GLU A 24 2.358 -12.207 -5.563 1.00 0.00 C ATOM 363 CG GLU A 24 1.943 -13.645 -5.289 1.00 0.00 C ATOM 364 CD GLU A 24 3.035 -14.406 -4.592 1.00 0.00 C ATOM 365 OE1 GLU A 24 4.142 -14.393 -5.072 1.00 0.00 O ATOM 366 OE2 GLU A 24 2.791 -14.906 -3.518 1.00 0.00 O ATOM 0 H GLU A 24 0.600 -11.369 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 24 3.304 -11.996 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.558 -11.709 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.233 -12.212 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.042 -13.655 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.695 -14.139 -6.228 1.00 0.00 H new ATOM 373 N ASP A 25 2.727 -9.080 -5.038 1.00 0.00 N ATOM 374 CA ASP A 25 3.340 -7.798 -5.361 1.00 0.00 C ATOM 375 C ASP A 25 3.816 -7.088 -4.098 1.00 0.00 C ATOM 376 O ASP A 25 4.892 -6.487 -4.080 1.00 0.00 O ATOM 377 CB ASP A 25 2.357 -6.910 -6.128 1.00 0.00 C ATOM 378 CG ASP A 25 2.076 -7.367 -7.553 1.00 0.00 C ATOM 379 OD1 ASP A 25 2.785 -8.220 -8.033 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.068 -6.978 -8.092 1.00 0.00 O ATOM 0 H ASP A 25 1.710 -9.090 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 25 4.206 -7.989 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.416 -6.873 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.750 -5.894 -6.156 1.00 0.00 H new ATOM 385 N ILE A 26 3.009 -7.161 -3.045 1.00 0.00 N ATOM 386 CA ILE A 26 3.341 -6.511 -1.784 1.00 0.00 C ATOM 387 C ILE A 26 4.650 -7.049 -1.215 1.00 0.00 C ATOM 388 O ILE A 26 5.443 -6.304 -0.640 1.00 0.00 O ATOM 389 CB ILE A 26 2.224 -6.698 -0.742 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.984 -5.891 -1.137 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.711 -6.287 0.640 1.00 0.00 C ATOM 392 CD1 ILE A 26 -0.247 -6.228 -0.329 1.00 0.00 C ATOM 0 H ILE A 26 2.121 -7.663 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 26 3.451 -5.448 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 26 1.953 -7.753 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.202 -4.829 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.772 -6.062 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.909 -6.426 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.565 -6.902 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.008 -5.238 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.083 -5.616 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.492 -7.282 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.055 -6.030 0.726 1.00 0.00 H new ATOM 604 N ALA A 40 6.386 -11.842 3.844 1.00 0.00 N ATOM 605 CA ALA A 40 5.349 -12.647 3.213 1.00 0.00 C ATOM 606 C ALA A 40 3.962 -12.090 3.511 1.00 0.00 C ATOM 607 O ALA A 40 3.639 -11.785 4.658 1.00 0.00 O ATOM 608 CB ALA A 40 5.450 -14.095 3.676 1.00 0.00 C ATOM 0 HA ALA A 40 5.501 -12.610 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.669 -14.686 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.426 -14.496 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.327 -14.140 4.758 1.00 0.00 H new ATOM 614 N ALA A 41 3.146 -11.956 2.471 1.00 0.00 N ATOM 615 CA ALA A 41 1.864 -11.273 2.587 1.00 0.00 C ATOM 616 C ALA A 41 0.727 -12.148 2.071 1.00 0.00 C ATOM 617 O ALA A 41 0.899 -12.916 1.123 1.00 0.00 O ATOM 618 CB ALA A 41 1.900 -9.952 1.834 1.00 0.00 C ATOM 0 H ALA A 41 3.351 -12.312 1.537 1.00 0.00 H new ATOM 0 HA ALA A 41 1.682 -11.072 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.936 -9.453 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.681 -9.316 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.109 -10.139 0.781 1.00 0.00 H new ATOM 624 N THR A 42 -0.438 -12.029 2.701 1.00 0.00 N ATOM 625 CA THR A 42 -1.659 -12.620 2.169 1.00 0.00 C ATOM 626 C THR A 42 -2.825 -11.641 2.250 1.00 0.00 C ATOM 627 O THR A 42 -3.095 -11.067 3.304 1.00 0.00 O ATOM 628 CB THR A 42 -2.033 -13.913 2.917 1.00 0.00 C ATOM 629 OG1 THR A 42 -0.959 -14.857 2.814 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.297 -14.522 2.329 1.00 0.00 C ATOM 0 H THR A 42 -0.561 -11.528 3.581 1.00 0.00 H new ATOM 0 HA THR A 42 -1.463 -12.860 1.124 1.00 0.00 H new ATOM 0 HB THR A 42 -2.212 -13.670 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.198 -15.678 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.547 -15.435 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.119 -13.811 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.133 -14.757 1.277 1.00 0.00 H new ATOM 638 N VAL A 43 -3.513 -11.455 1.127 1.00 0.00 N ATOM 639 CA VAL A 43 -4.595 -10.482 1.048 1.00 0.00 C ATOM 640 C VAL A 43 -5.860 -11.114 0.473 1.00 0.00 C ATOM 641 O VAL A 43 -5.811 -11.824 -0.531 1.00 0.00 O ATOM 642 CB VAL A 43 -4.203 -9.267 0.189 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.349 -8.268 0.122 1.00 0.00 C ATOM 644 CG2 VAL A 43 -2.951 -8.604 0.744 1.00 0.00 C ATOM 0 H VAL A 43 -3.340 -11.965 0.261 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.790 -10.144 2.066 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.990 -9.615 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.053 -7.416 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.223 -8.746 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.593 -7.926 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.688 -7.747 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.138 -8.270 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.129 -9.319 0.741 1.00 0.00 H new ATOM 654 N ASP A 44 -6.991 -10.848 1.116 1.00 0.00 N ATOM 655 CA ASP A 44 -8.293 -11.111 0.513 1.00 0.00 C ATOM 656 C ASP A 44 -8.836 -9.863 -0.174 1.00 0.00 C ATOM 657 O ASP A 44 -9.211 -8.892 0.485 1.00 0.00 O ATOM 658 CB ASP A 44 -9.285 -11.606 1.569 1.00 0.00 C ATOM 659 CG ASP A 44 -10.655 -11.979 1.018 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.872 -11.792 -0.157 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.415 -12.587 1.732 1.00 0.00 O ATOM 0 H ASP A 44 -7.033 -10.451 2.054 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.164 -11.890 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.860 -12.475 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.409 -10.831 2.325 1.00 0.00 H new ATOM 666 N LEU A 45 -8.875 -9.893 -1.501 1.00 0.00 N ATOM 667 CA LEU A 45 -9.199 -8.706 -2.285 1.00 0.00 C ATOM 668 C LEU A 45 -10.709 -8.511 -2.377 1.00 0.00 C ATOM 669 O LEU A 45 -11.355 -9.009 -3.300 1.00 0.00 O ATOM 670 CB LEU A 45 -8.585 -8.811 -3.687 1.00 0.00 C ATOM 671 CG LEU A 45 -7.055 -8.721 -3.739 1.00 0.00 C ATOM 672 CD1 LEU A 45 -6.438 -9.974 -3.131 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.603 -8.542 -5.180 1.00 0.00 C ATOM 0 H LEU A 45 -8.686 -10.727 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.775 -7.837 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.892 -9.758 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.001 -8.018 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.722 -7.860 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.351 -9.901 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.756 -10.069 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.765 -10.849 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.515 -8.478 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.936 -9.393 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.033 -7.626 -5.585 1.00 0.00 H new ATOM 685 N ARG A 46 -11.265 -7.780 -1.416 1.00 0.00 N ATOM 686 CA ARG A 46 -12.686 -7.452 -1.431 1.00 0.00 C ATOM 687 C ARG A 46 -13.008 -6.383 -0.393 1.00 0.00 C ATOM 688 O ARG A 46 -12.247 -6.172 0.552 1.00 0.00 O ATOM 689 CB ARG A 46 -13.563 -8.683 -1.258 1.00 0.00 C ATOM 690 CG ARG A 46 -13.433 -9.377 0.088 1.00 0.00 C ATOM 691 CD ARG A 46 -14.227 -10.626 0.212 1.00 0.00 C ATOM 692 NE ARG A 46 -13.955 -11.395 1.416 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.578 -11.214 2.597 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.479 -10.267 2.749 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.242 -11.996 3.607 1.00 0.00 N ATOM 0 H ARG A 46 -10.754 -7.404 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.914 -7.045 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.604 -8.393 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.320 -9.398 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.383 -9.609 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.742 -8.685 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.287 -10.372 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.031 -11.254 -0.657 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.242 -12.123 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.715 -9.657 1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.942 -10.143 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.528 -12.713 3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.696 -11.882 4.513 1.00 0.00 H new ATOM 709 N GLU A 47 -14.140 -5.709 -0.574 1.00 0.00 N ATOM 710 CA GLU A 47 -14.668 -4.813 0.447 1.00 0.00 C ATOM 711 C GLU A 47 -15.089 -5.592 1.690 1.00 0.00 C ATOM 712 O GLU A 47 -15.930 -6.486 1.619 1.00 0.00 O ATOM 713 CB GLU A 47 -15.851 -4.012 -0.100 1.00 0.00 C ATOM 714 CG GLU A 47 -16.383 -2.948 0.849 1.00 0.00 C ATOM 715 CD GLU A 47 -17.380 -2.054 0.165 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.035 -1.460 -0.828 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.521 -2.052 0.567 1.00 0.00 O ATOM 0 H GLU A 47 -14.709 -5.767 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.876 -4.119 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.550 -3.533 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.659 -4.701 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.851 -3.426 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.555 -2.349 1.228 1.00 0.00 H new ATOM 724 N GLY A 48 -14.495 -5.245 2.829 1.00 0.00 N ATOM 725 CA GLY A 48 -14.710 -6.014 4.040 1.00 0.00 C ATOM 726 C GLY A 48 -13.688 -7.120 4.212 1.00 0.00 C ATOM 727 O GLY A 48 -13.604 -7.740 5.272 1.00 0.00 O ATOM 0 H GLY A 48 -13.870 -4.446 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.669 -5.348 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.710 -6.447 4.019 1.00 0.00 H new ATOM 731 N GLY A 49 -12.909 -7.373 3.163 1.00 0.00 N ATOM 732 CA GLY A 49 -11.939 -8.451 3.203 1.00 0.00 C ATOM 733 C GLY A 49 -10.787 -8.162 4.143 1.00 0.00 C ATOM 734 O GLY A 49 -10.440 -7.005 4.373 1.00 0.00 O ATOM 0 H GLY A 49 -12.933 -6.850 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.435 -9.370 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.550 -8.623 2.199 1.00 0.00 H new ATOM 738 N ALA A 50 -10.191 -9.218 4.691 1.00 0.00 N ATOM 739 CA ALA A 50 -9.072 -9.072 5.612 1.00 0.00 C ATOM 740 C ALA A 50 -7.742 -9.296 4.901 1.00 0.00 C ATOM 741 O ALA A 50 -7.684 -9.975 3.874 1.00 0.00 O ATOM 742 CB ALA A 50 -9.219 -10.036 6.779 1.00 0.00 C ATOM 0 H ALA A 50 -10.466 -10.184 4.512 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.081 -8.052 5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.376 -9.916 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.147 -9.825 7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.240 -11.060 6.405 1.00 0.00 H new ATOM 748 N PHE A 51 -6.677 -8.724 5.452 1.00 0.00 N ATOM 749 CA PHE A 51 -5.337 -8.930 4.917 1.00 0.00 C ATOM 750 C PHE A 51 -4.307 -9.000 6.042 1.00 0.00 C ATOM 751 O PHE A 51 -4.537 -8.489 7.139 1.00 0.00 O ATOM 752 CB PHE A 51 -4.973 -7.813 3.937 1.00 0.00 C ATOM 753 CG PHE A 51 -4.926 -6.448 4.563 1.00 0.00 C ATOM 754 CD1 PHE A 51 -6.059 -5.651 4.610 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.747 -5.960 5.107 1.00 0.00 C ATOM 756 CE1 PHE A 51 -6.017 -4.396 5.184 1.00 0.00 C ATOM 757 CE2 PHE A 51 -3.703 -4.705 5.683 1.00 0.00 C ATOM 758 CZ PHE A 51 -4.837 -3.922 5.722 1.00 0.00 C ATOM 0 H PHE A 51 -6.716 -8.114 6.269 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.329 -9.881 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.001 -8.033 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.699 -7.805 3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.986 -6.016 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.854 -6.567 5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.907 -3.785 5.212 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.779 -4.337 6.103 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.803 -2.941 6.172 1.00 0.00 H new ATOM 768 N SER A 52 -3.176 -9.636 5.762 1.00 0.00 N ATOM 769 CA SER A 52 -2.133 -9.822 6.765 1.00 0.00 C ATOM 770 C SER A 52 -0.749 -9.775 6.126 1.00 0.00 C ATOM 771 O SER A 52 -0.545 -10.281 5.022 1.00 0.00 O ATOM 772 CB SER A 52 -2.337 -11.136 7.493 1.00 0.00 C ATOM 773 OG SER A 52 -1.331 -11.374 8.440 1.00 0.00 O ATOM 0 H SER A 52 -2.957 -10.032 4.848 1.00 0.00 H new ATOM 0 HA SER A 52 -2.200 -9.007 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.307 -11.129 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.355 -11.952 6.770 1.00 0.00 H new ATOM 0 HG SER A 52 -1.039 -10.523 8.828 1.00 0.00 H new ATOM 779 N SER A 53 0.199 -9.163 6.828 1.00 0.00 N ATOM 780 CA SER A 53 1.582 -9.116 6.366 1.00 0.00 C ATOM 781 C SER A 53 2.534 -9.618 7.447 1.00 0.00 C ATOM 782 O SER A 53 2.587 -9.068 8.548 1.00 0.00 O ATOM 783 CB SER A 53 1.948 -7.703 5.952 1.00 0.00 C ATOM 784 OG SER A 53 3.282 -7.606 5.536 1.00 0.00 O ATOM 0 H SER A 53 0.035 -8.693 7.718 1.00 0.00 H new ATOM 0 HA SER A 53 1.677 -9.772 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.292 -7.381 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.779 -7.025 6.789 1.00 0.00 H new ATOM 0 HG SER A 53 3.477 -6.681 5.276 1.00 0.00 H new ATOM 790 N ARG A 54 3.285 -10.667 7.125 1.00 0.00 N ATOM 791 CA ARG A 54 4.224 -11.252 8.072 1.00 0.00 C ATOM 792 C ARG A 54 5.658 -10.853 7.733 1.00 0.00 C ATOM 793 O ARG A 54 6.182 -11.219 6.681 1.00 0.00 O ATOM 794 CB ARG A 54 4.073 -12.763 8.173 1.00 0.00 C ATOM 795 CG ARG A 54 5.000 -13.434 9.174 1.00 0.00 C ATOM 796 CD ARG A 54 4.772 -14.893 9.338 1.00 0.00 C ATOM 797 NE ARG A 54 5.707 -15.551 10.236 1.00 0.00 N ATOM 798 CZ ARG A 54 5.728 -16.876 10.481 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.848 -17.681 9.930 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.644 -17.342 11.312 1.00 0.00 N ATOM 0 H ARG A 54 3.260 -11.128 6.215 1.00 0.00 H new ATOM 0 HA ARG A 54 3.985 -10.849 9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.042 -12.993 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.249 -13.198 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.031 -13.273 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.881 -12.949 10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.759 -15.050 9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.831 -15.370 8.359 1.00 0.00 H new ATOM 0 HE ARG A 54 6.395 -14.969 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.134 -17.306 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.879 -18.681 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.309 -16.703 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.685 -18.340 11.518 1.00 0.00 H new ATOM 964 N PHE A 66 1.439 -8.257 10.981 1.00 0.00 N ATOM 965 CA PHE A 66 0.550 -7.142 10.674 1.00 0.00 C ATOM 966 C PHE A 66 -0.789 -7.644 10.140 1.00 0.00 C ATOM 967 O PHE A 66 -0.840 -8.575 9.339 1.00 0.00 O ATOM 968 CB PHE A 66 1.203 -6.199 9.662 1.00 0.00 C ATOM 969 CG PHE A 66 2.351 -5.409 10.223 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.530 -5.297 11.593 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.253 -4.775 9.382 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.586 -4.570 12.111 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.309 -4.049 9.896 1.00 0.00 C ATOM 974 CZ PHE A 66 4.476 -3.946 11.262 1.00 0.00 C ATOM 0 HA PHE A 66 0.367 -6.592 11.597 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.556 -6.782 8.812 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.449 -5.508 9.284 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.837 -5.783 12.263 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.128 -4.850 8.312 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.714 -4.491 13.180 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.005 -3.562 9.229 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.302 -3.378 11.665 1.00 0.00 H new ATOM 984 N ALA A 67 -1.871 -7.019 10.594 1.00 0.00 N ATOM 985 CA ALA A 67 -3.211 -7.408 10.171 1.00 0.00 C ATOM 986 C ALA A 67 -4.100 -6.187 9.974 1.00 0.00 C ATOM 987 O ALA A 67 -3.976 -5.193 10.689 1.00 0.00 O ATOM 988 CB ALA A 67 -3.831 -8.357 11.187 1.00 0.00 C ATOM 0 H ALA A 67 -1.846 -6.242 11.254 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.128 -7.922 9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.831 -8.639 10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.213 -9.250 11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.894 -7.862 12.156 1.00 0.00 H new ATOM 994 N GLY A 68 -5.000 -6.265 8.997 1.00 0.00 N ATOM 995 CA GLY A 68 -5.920 -5.171 8.744 1.00 0.00 C ATOM 996 C GLY A 68 -7.168 -5.621 8.013 1.00 0.00 C ATOM 997 O GLY A 68 -7.241 -6.752 7.529 1.00 0.00 O ATOM 0 H GLY A 68 -5.108 -7.067 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.203 -4.712 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.415 -4.404 8.156 1.00 0.00 H new ATOM 1001 N THR A 69 -8.156 -4.735 7.933 1.00 0.00 N ATOM 1002 CA THR A 69 -9.416 -5.055 7.274 1.00 0.00 C ATOM 1003 C THR A 69 -9.852 -3.927 6.345 1.00 0.00 C ATOM 1004 O THR A 69 -9.675 -2.750 6.656 1.00 0.00 O ATOM 1005 CB THR A 69 -10.537 -5.326 8.295 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.141 -6.390 9.171 1.00 0.00 O ATOM 1007 CG2 THR A 69 -11.825 -5.711 7.585 1.00 0.00 C ATOM 0 H THR A 69 -8.108 -3.791 8.316 1.00 0.00 H new ATOM 0 HA THR A 69 -9.244 -5.959 6.690 1.00 0.00 H new ATOM 0 HB THR A 69 -10.711 -4.417 8.871 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.854 -6.561 9.821 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.605 -5.899 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.135 -4.899 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.660 -6.612 6.995 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.422 -4.296 5.203 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.885 -3.315 4.228 1.00 0.00 C ATOM 1017 C TYR A 70 -12.291 -2.829 4.569 1.00 0.00 C ATOM 1018 O TYR A 70 -13.129 -3.599 5.041 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.860 -3.906 2.817 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.467 -4.142 2.276 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.618 -3.078 2.010 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.004 -5.427 2.032 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.346 -3.287 1.516 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -7.733 -5.648 1.539 1.00 0.00 C ATOM 1025 CZ TYR A 70 -6.906 -4.574 1.281 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.639 -4.787 0.788 1.00 0.00 O ATOM 0 H TYR A 70 -10.575 -5.267 4.930 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.208 -2.462 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.403 -4.851 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.392 -3.235 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.958 -2.069 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.649 -6.270 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.698 -2.447 1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.388 -6.655 1.357 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.303 -5.649 1.111 1.00 0.00 H new ATOM 1036 N THR A 71 -12.544 -1.547 4.327 1.00 0.00 N ATOM 1037 CA THR A 71 -13.813 -0.935 4.694 1.00 0.00 C ATOM 1038 C THR A 71 -14.649 -0.620 3.458 1.00 0.00 C ATOM 1039 O THR A 71 -15.875 -0.740 3.477 1.00 0.00 O ATOM 1040 CB THR A 71 -13.604 0.358 5.505 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.942 1.334 4.689 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.764 0.081 6.742 1.00 0.00 C ATOM 0 H THR A 71 -11.885 -0.912 3.877 1.00 0.00 H new ATOM 0 HA THR A 71 -14.344 -1.658 5.314 1.00 0.00 H new ATOM 0 HB THR A 71 -14.577 0.736 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.033 2.219 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.626 1.005 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.271 -0.652 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.792 -0.309 6.442 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.980 -0.218 2.385 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.657 0.384 1.241 1.00 0.00 C ATOM 1052 C LYS A 72 -13.841 0.195 -0.035 1.00 0.00 C ATOM 1053 O LYS A 72 -12.621 0.363 -0.034 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.914 1.870 1.490 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.832 2.530 0.470 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.172 3.957 0.872 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.236 4.552 -0.039 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.592 5.942 0.354 1.00 0.00 N ATOM 0 H LYS A 72 -12.968 -0.298 2.282 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.615 -0.119 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.348 1.990 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.959 2.395 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.351 2.531 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.749 1.949 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.524 3.972 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.273 4.572 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.876 4.547 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.129 3.927 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.320 6.310 -0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.959 5.944 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.746 6.545 0.302 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.523 -0.151 -1.122 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.897 -0.190 -2.438 1.00 0.00 C ATOM 1074 C VAL A 73 -14.830 0.363 -3.508 1.00 0.00 C ATOM 1075 O VAL A 73 -15.967 -0.088 -3.649 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.480 -1.623 -2.823 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.872 -1.643 -4.218 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.496 -2.182 -1.807 1.00 0.00 C ATOM 0 H VAL A 73 -15.510 -0.409 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.005 0.434 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.370 -2.253 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.583 -2.662 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.605 -1.281 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.992 -1.000 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.212 -3.194 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.608 -1.551 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.962 -2.202 -0.822 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.342 1.341 -4.263 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.172 2.043 -5.236 1.00 0.00 C ATOM 1090 C VAL A 74 -14.502 2.079 -6.604 1.00 0.00 C ATOM 1091 O VAL A 74 -13.333 2.442 -6.725 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.474 3.485 -4.784 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.294 4.212 -5.840 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.206 3.484 -3.451 1.00 0.00 C ATOM 0 H VAL A 74 -13.376 1.666 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.109 1.491 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.528 4.011 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.499 5.229 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.736 4.243 -6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.235 3.685 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.411 4.511 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.146 2.941 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.587 2.999 -2.696 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.252 1.699 -7.634 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.798 1.859 -9.011 1.00 0.00 C ATOM 1106 C GLU A 75 -13.379 1.323 -9.180 1.00 0.00 C ATOM 1107 O GLU A 75 -12.594 1.853 -9.965 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.860 3.330 -9.430 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.270 3.899 -9.516 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.248 5.351 -9.906 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.179 5.893 -10.049 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.297 5.889 -10.172 1.00 0.00 O ATOM 0 H GLU A 75 -16.177 1.278 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.463 1.284 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.285 3.923 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.377 3.440 -10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.850 3.333 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.770 3.786 -8.554 1.00 0.00 H new ATOM 1119 N ASN A 76 -13.059 0.267 -8.437 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.686 -0.213 -8.344 1.00 0.00 C ATOM 1121 C ASN A 76 -10.701 0.953 -8.321 1.00 0.00 C ATOM 1122 O ASN A 76 -9.702 0.950 -9.040 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.350 -1.163 -9.479 1.00 0.00 C ATOM 1124 CG ASN A 76 -12.205 -2.399 -9.506 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -12.149 -3.238 -8.599 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.936 -2.556 -10.580 1.00 0.00 N ATOM 0 H ASN A 76 -13.732 -0.271 -7.892 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.597 -0.763 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.459 -0.636 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.304 -1.457 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.495 -3.401 -10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.947 -1.833 -11.299 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.993 1.949 -7.490 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.439 3.285 -7.674 1.00 0.00 C ATOM 1135 C LYS A 77 -10.142 3.942 -6.329 1.00 0.00 C ATOM 1136 O LYS A 77 -9.234 4.766 -6.217 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.398 4.157 -8.488 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.917 5.584 -8.707 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.885 6.365 -9.583 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.385 7.780 -9.839 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.323 8.556 -10.693 1.00 0.00 N ATOM 0 H LYS A 77 -11.610 1.856 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.502 3.188 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.561 3.688 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.363 4.185 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.808 6.085 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.932 5.571 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.018 5.847 -10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.862 6.404 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.251 8.295 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.408 7.738 -10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.945 9.513 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.432 8.079 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.249 8.619 -10.223 1.00 0.00 H new ATOM 1155 N ARG A 78 -10.912 3.570 -5.313 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.727 4.118 -3.975 1.00 0.00 C ATOM 1157 C ARG A 78 -10.947 3.045 -2.913 1.00 0.00 C ATOM 1158 O ARG A 78 -11.943 2.324 -2.943 1.00 0.00 O ATOM 1159 CB ARG A 78 -11.600 5.340 -3.727 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.315 6.525 -4.636 1.00 0.00 C ATOM 1161 CD ARG A 78 -11.802 7.827 -4.114 1.00 0.00 C ATOM 1162 NE ARG A 78 -13.250 7.954 -4.067 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.912 8.941 -3.433 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -13.265 9.867 -2.759 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -15.232 8.941 -3.484 1.00 0.00 N ATOM 0 H ARG A 78 -11.670 2.892 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.693 4.456 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.645 5.052 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.472 5.656 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.239 6.592 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.774 6.342 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.404 7.973 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.400 8.627 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.804 7.245 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.246 9.845 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.782 10.607 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.723 8.206 -3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.761 9.676 -3.013 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.010 2.947 -1.975 1.00 0.00 N ATOM 1180 CA ILE A 79 -9.959 1.812 -1.062 1.00 0.00 C ATOM 1181 C ILE A 79 -9.454 2.235 0.313 1.00 0.00 C ATOM 1182 O ILE A 79 -8.391 2.843 0.435 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.058 0.688 -1.608 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.154 -0.553 -0.716 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.617 1.164 -1.709 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.586 -1.803 -1.347 1.00 0.00 C ATOM 0 H ILE A 79 -9.276 3.640 -1.828 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.977 1.435 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.402 0.421 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.629 -0.358 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.200 -0.728 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.994 0.358 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.563 2.020 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.260 1.456 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.690 -2.639 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.127 -2.024 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.531 -1.649 -1.574 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.223 1.906 1.346 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.876 2.291 2.709 1.00 0.00 C ATOM 1200 C GLU A 80 -9.772 1.065 3.611 1.00 0.00 C ATOM 1201 O GLU A 80 -10.556 0.124 3.491 1.00 0.00 O ATOM 1202 CB GLU A 80 -10.908 3.274 3.268 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.614 3.756 4.683 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.737 4.601 5.216 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.817 4.086 5.375 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.489 5.729 5.570 1.00 0.00 O ATOM 0 H GLU A 80 -11.090 1.374 1.265 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.903 2.782 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.964 4.139 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.889 2.799 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.460 2.898 5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.688 4.332 4.689 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.799 1.084 4.515 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.565 -0.043 5.410 1.00 0.00 C ATOM 1215 C TYR A 81 -8.019 0.433 6.753 1.00 0.00 C ATOM 1216 O TYR A 81 -7.490 1.537 6.864 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.599 -1.043 4.771 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.309 -0.424 4.283 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.202 0.074 2.993 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.200 -0.340 5.113 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -5.026 0.642 2.541 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.018 0.225 4.673 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.936 0.715 3.384 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.762 1.278 2.939 1.00 0.00 O ATOM 0 H TYR A 81 -8.160 1.868 4.647 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.519 -0.540 5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.365 -1.821 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.097 -1.529 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.053 0.017 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.262 -0.723 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.960 1.026 1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.164 0.283 5.332 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.709 1.196 1.964 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.151 -0.412 7.769 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.742 -0.050 9.122 1.00 0.00 C ATOM 1236 C ALA A 82 -6.652 -0.985 9.634 1.00 0.00 C ATOM 1237 O ALA A 82 -6.705 -2.196 9.415 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.941 -0.071 10.060 1.00 0.00 C ATOM 0 H ALA A 82 -8.538 -1.352 7.682 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.334 0.961 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.621 0.201 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.688 0.642 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.374 -1.071 10.075 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.664 -0.415 10.317 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.553 -1.198 10.849 1.00 0.00 C ATOM 1246 C PHE A 83 -4.337 -0.896 12.328 1.00 0.00 C ATOM 1247 O PHE A 83 -3.864 0.181 12.692 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.273 -0.918 10.059 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.042 -1.527 10.666 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.787 -2.885 10.538 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.136 -0.746 11.366 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.655 -3.447 11.096 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -0.003 -1.304 11.924 1.00 0.00 C ATOM 1254 CZ PHE A 83 0.238 -2.657 11.789 1.00 0.00 C ATOM 0 H PHE A 83 -5.610 0.584 10.515 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.803 -2.254 10.746 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.393 -1.298 9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.133 0.160 9.981 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.481 -3.510 9.996 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.319 0.313 11.476 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.469 -4.506 10.989 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.695 -0.683 12.466 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.124 -3.095 12.225 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.689 -1.856 13.179 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.527 -1.675 14.610 1.00 0.00 C ATOM 1266 C GLY A 84 -5.456 -0.615 15.168 1.00 0.00 C ATOM 1267 O GLY A 84 -6.675 -0.716 15.038 1.00 0.00 O ATOM 0 H GLY A 84 -5.083 -2.755 12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.715 -2.622 15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.495 -1.398 14.824 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.877 0.405 15.794 1.00 0.00 N ATOM 1272 CA ASP A 85 -5.649 1.548 16.267 1.00 0.00 C ATOM 1273 C ASP A 85 -5.529 2.723 15.301 1.00 0.00 C ATOM 1274 O ASP A 85 -5.881 3.855 15.636 1.00 0.00 O ATOM 1275 CB ASP A 85 -5.190 1.965 17.666 1.00 0.00 C ATOM 1276 CG ASP A 85 -3.732 2.392 17.749 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -3.050 2.306 16.755 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -3.351 2.945 18.753 1.00 0.00 O ATOM 0 H ASP A 85 -3.877 0.463 15.985 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.696 1.250 16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.817 2.788 18.010 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.352 1.133 18.351 1.00 0.00 H new ATOM 1283 N ARG A 86 -5.029 2.448 14.102 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.844 3.485 13.093 1.00 0.00 C ATOM 1285 C ARG A 86 -5.628 3.155 11.826 1.00 0.00 C ATOM 1286 O ARG A 86 -6.102 2.033 11.649 1.00 0.00 O ATOM 1287 CB ARG A 86 -3.375 3.741 12.792 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.604 4.426 13.909 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.202 4.771 13.564 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.301 3.632 13.490 1.00 0.00 N ATOM 1291 CZ ARG A 86 0.143 3.080 12.344 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.254 3.534 11.176 1.00 0.00 N ATOM 1293 NH2 ARG A 86 0.973 2.055 12.425 1.00 0.00 N ATOM 0 H ARG A 86 -4.744 1.515 13.804 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.241 4.413 13.504 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.893 2.789 12.568 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.304 4.353 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.131 5.338 14.192 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.601 3.776 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.194 5.287 12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.821 5.472 14.306 1.00 0.00 H new ATOM 0 HE ARG A 86 0.017 3.222 14.368 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.908 4.315 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.092 3.105 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.261 1.703 13.338 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.326 1.616 11.575 1.00 0.00 H new ATOM 1307 N THR A 87 -5.759 4.141 10.944 1.00 0.00 N ATOM 1308 CA THR A 87 -6.493 3.960 9.698 1.00 0.00 C ATOM 1309 C THR A 87 -5.699 4.488 8.510 1.00 0.00 C ATOM 1310 O THR A 87 -4.788 5.300 8.671 1.00 0.00 O ATOM 1311 CB THR A 87 -7.862 4.665 9.741 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.671 6.077 9.900 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.698 4.137 10.897 1.00 0.00 C ATOM 0 H THR A 87 -5.366 5.074 11.070 1.00 0.00 H new ATOM 0 HA THR A 87 -6.650 2.888 9.579 1.00 0.00 H new ATOM 0 HB THR A 87 -8.386 4.465 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.543 6.524 9.925 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.662 4.646 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.856 3.066 10.772 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.177 4.320 11.837 1.00 0.00 H new ATOM 1321 N ALA A 88 -6.049 4.021 7.316 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.458 4.542 6.089 1.00 0.00 C ATOM 1323 C ALA A 88 -6.462 4.519 4.942 1.00 0.00 C ATOM 1324 O ALA A 88 -7.315 3.635 4.868 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.217 3.742 5.721 1.00 0.00 C ATOM 0 H ALA A 88 -6.738 3.283 7.172 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.171 5.579 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.786 4.141 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.486 3.813 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.489 2.697 5.569 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.356 5.498 4.049 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.255 5.589 2.905 1.00 0.00 C ATOM 1333 C LYS A 89 -6.476 5.877 1.624 1.00 0.00 C ATOM 1334 O LYS A 89 -5.673 6.809 1.570 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.310 6.671 3.135 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.380 6.746 2.053 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.488 7.716 2.437 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.556 7.792 1.355 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.687 8.674 1.753 1.00 0.00 N ATOM 0 H LYS A 89 -5.657 6.239 4.096 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.758 4.628 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.793 6.492 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.812 7.638 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.928 7.061 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.803 5.755 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.941 7.400 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.065 8.707 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.112 8.165 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.933 6.791 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.393 8.699 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.127 8.304 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.332 9.636 1.928 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.719 5.070 0.597 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.974 5.179 -0.653 1.00 0.00 C ATOM 1355 C VAL A 90 -6.895 5.548 -1.811 1.00 0.00 C ATOM 1356 O VAL A 90 -7.983 4.989 -1.953 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.240 3.869 -0.991 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.428 4.026 -2.268 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.339 3.451 0.162 1.00 0.00 C ATOM 0 H VAL A 90 -7.425 4.334 0.605 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.237 5.969 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.985 3.089 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.916 3.090 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.093 4.281 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.692 4.819 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.828 2.523 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.602 4.232 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.941 3.298 1.058 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.452 6.490 -2.636 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.216 6.898 -3.810 1.00 0.00 C ATOM 1371 C GLU A 91 -6.383 6.746 -5.080 1.00 0.00 C ATOM 1372 O GLU A 91 -5.172 6.968 -5.072 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.697 8.343 -3.662 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.612 8.582 -2.470 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.160 9.982 -2.474 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.381 10.905 -2.489 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.355 10.130 -2.576 1.00 0.00 O ATOM 0 H GLU A 91 -5.569 6.985 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.086 6.247 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.828 8.995 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.222 8.633 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.435 7.867 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.062 8.407 -1.546 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.042 6.366 -6.169 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.369 6.210 -7.455 1.00 0.00 C ATOM 1386 C PHE A 92 -6.950 7.166 -8.492 1.00 0.00 C ATOM 1387 O PHE A 92 -8.149 7.138 -8.775 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.477 4.765 -7.945 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.797 3.769 -7.050 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.383 3.373 -5.857 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.570 3.225 -7.400 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.758 2.456 -5.034 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.943 2.308 -6.579 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.539 1.923 -5.394 1.00 0.00 C ATOM 0 H PHE A 92 -8.041 6.160 -6.188 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.316 6.454 -7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.530 4.499 -8.034 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.045 4.697 -8.943 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.338 3.786 -5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.099 3.522 -8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.225 2.156 -4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.988 1.892 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.051 1.206 -4.751 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.093 8.008 -9.058 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.538 9.050 -9.976 1.00 0.00 C ATOM 1406 C LEU A 93 -6.034 8.781 -11.392 1.00 0.00 C ATOM 1407 O LEU A 93 -4.839 8.574 -11.605 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.063 10.425 -9.490 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.490 10.797 -8.065 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -5.863 12.125 -7.662 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -8.007 10.871 -7.991 1.00 0.00 C ATOM 0 H LEU A 93 -5.086 7.990 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.628 9.043 -9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.975 10.456 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.439 11.185 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.143 10.032 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.172 12.381 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.777 12.041 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.191 12.905 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.309 11.135 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.369 11.628 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.432 9.903 -8.255 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.952 8.785 -12.352 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.592 8.601 -13.754 1.00 0.00 C ATOM 1425 C GLU A 94 -6.050 9.896 -14.352 1.00 0.00 C ATOM 1426 O GLU A 94 -6.737 10.916 -14.375 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.798 8.111 -14.558 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.499 7.815 -16.021 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.728 7.338 -16.743 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.760 7.242 -16.123 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.663 7.174 -17.939 1.00 0.00 O ATOM 0 H GLU A 94 -7.950 8.913 -12.186 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.808 7.846 -13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.189 7.208 -14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.585 8.864 -14.505 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.116 8.713 -16.505 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.718 7.058 -16.089 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.812 9.846 -14.832 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.214 10.982 -15.524 1.00 0.00 C ATOM 1440 C ALA A 95 -3.989 10.669 -17.000 1.00 0.00 C ATOM 1441 O ALA A 95 -3.921 9.510 -17.410 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.904 11.375 -14.859 1.00 0.00 C ATOM 0 H ALA A 95 -4.203 9.031 -14.755 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.907 11.821 -15.459 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.469 12.224 -15.386 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.091 11.649 -13.821 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.212 10.534 -14.893 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.870 11.724 -17.818 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.592 11.588 -19.250 1.00 0.00 C ATOM 1450 C PRO A 96 -2.226 10.965 -19.519 1.00 0.00 C ATOM 1451 O PRO A 96 -2.026 10.305 -20.537 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.676 13.023 -19.780 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.405 13.875 -18.589 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.020 13.144 -17.426 1.00 0.00 C ATOM 0 HA PRO A 96 -4.296 10.917 -19.742 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.944 13.199 -20.569 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.658 13.233 -20.204 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.334 14.016 -18.442 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.844 14.866 -18.707 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.504 13.363 -16.491 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.066 13.417 -17.284 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.292 11.178 -18.598 1.00 0.00 N ATOM 1463 CA GLN A 97 0.079 10.723 -18.784 1.00 0.00 C ATOM 1464 C GLN A 97 0.339 9.440 -17.999 1.00 0.00 C ATOM 1465 O GLN A 97 1.357 8.776 -18.193 1.00 0.00 O ATOM 1466 CB GLN A 97 1.069 11.807 -18.349 1.00 0.00 C ATOM 1467 CG GLN A 97 0.976 13.093 -19.151 1.00 0.00 C ATOM 1468 CD GLN A 97 1.984 14.133 -18.698 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.865 13.849 -17.882 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.855 15.347 -19.220 1.00 0.00 N ATOM 0 H GLN A 97 -1.460 11.663 -17.716 1.00 0.00 H new ATOM 0 HA GLN A 97 0.222 10.517 -19.845 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.901 12.035 -17.297 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.082 11.413 -18.432 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.136 12.872 -20.206 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.030 13.503 -19.060 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.111 15.537 -19.892 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.500 16.090 -18.949 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.588 9.100 -17.109 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.408 7.939 -16.258 1.00 0.00 C ATOM 1481 C GLY A 98 -1.482 7.827 -15.193 1.00 0.00 C ATOM 1482 O GLY A 98 -2.492 8.528 -15.245 1.00 0.00 O ATOM 0 H GLY A 98 -1.460 9.608 -16.962 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.414 7.038 -16.872 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.570 7.992 -15.779 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.266 6.938 -14.228 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.165 6.819 -13.086 1.00 0.00 C ATOM 1488 C VAL A 99 -1.466 7.219 -11.792 1.00 0.00 C ATOM 1489 O VAL A 99 -0.372 6.742 -11.490 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.709 5.385 -12.943 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.536 5.254 -11.673 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.540 5.007 -14.160 1.00 0.00 C ATOM 0 H VAL A 99 -0.478 6.291 -14.214 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.999 7.497 -13.269 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.863 4.700 -12.877 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.913 4.235 -11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.914 5.485 -10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.375 5.949 -11.712 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.916 3.991 -14.042 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.379 5.696 -14.256 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.921 5.063 -15.055 1.00 0.00 H new ATOM 1502 N THR A 100 -2.106 8.100 -11.029 1.00 0.00 N ATOM 1503 CA THR A 100 -1.516 8.616 -9.800 1.00 0.00 C ATOM 1504 C THR A 100 -2.098 7.921 -8.575 1.00 0.00 C ATOM 1505 O THR A 100 -3.316 7.814 -8.430 1.00 0.00 O ATOM 1506 CB THR A 100 -1.730 10.136 -9.666 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.056 10.813 -10.734 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.191 10.635 -8.334 1.00 0.00 C ATOM 0 H THR A 100 -3.032 8.471 -11.241 1.00 0.00 H new ATOM 0 HA THR A 100 -0.447 8.412 -9.855 1.00 0.00 H new ATOM 0 HB THR A 100 -2.799 10.342 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.087 10.741 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.351 11.710 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.711 10.131 -7.519 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.124 10.421 -8.270 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.222 7.448 -7.696 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.648 6.712 -6.511 1.00 0.00 C ATOM 1518 C VAL A 101 -1.395 7.518 -5.242 1.00 0.00 C ATOM 1519 O VAL A 101 -0.256 7.869 -4.934 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.927 5.356 -6.399 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.402 4.600 -5.166 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.156 4.525 -7.651 1.00 0.00 C ATOM 0 H VAL A 101 -0.212 7.561 -7.781 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.718 6.536 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 101 0.142 5.543 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.882 3.644 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.189 5.189 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.475 4.425 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.639 3.570 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.224 4.348 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.770 5.060 -8.519 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.465 7.808 -4.510 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.366 8.617 -3.301 1.00 0.00 C ATOM 1534 C ARG A 102 -2.697 7.790 -2.063 1.00 0.00 C ATOM 1535 O ARG A 102 -3.785 7.224 -1.954 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.221 9.874 -3.379 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.283 10.686 -2.096 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.036 11.961 -2.214 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.428 12.942 -3.098 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.007 14.098 -3.473 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.223 14.407 -3.077 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.331 14.906 -4.271 1.00 0.00 N ATOM 0 H ARG A 102 -3.410 7.495 -4.733 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.331 8.949 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.835 10.510 -4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.235 9.589 -3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.742 10.078 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.266 10.907 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.042 11.742 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.140 12.400 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.496 12.740 -3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.742 13.766 -2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.647 15.287 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.396 14.647 -4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.744 15.789 -4.572 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.750 7.722 -1.133 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.958 7.004 0.118 1.00 0.00 C ATOM 1558 C VAL A 103 -1.889 7.948 1.314 1.00 0.00 C ATOM 1559 O VAL A 103 -0.872 8.602 1.542 1.00 0.00 O ATOM 1560 CB VAL A 103 -0.922 5.879 0.302 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.144 5.162 1.626 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -0.993 4.895 -0.854 1.00 0.00 C ATOM 0 H VAL A 103 -0.831 8.156 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.953 6.563 0.066 1.00 0.00 H new ATOM 0 HB VAL A 103 0.072 6.325 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.403 4.370 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.044 5.873 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.144 4.728 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.254 4.107 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.989 4.455 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.787 5.416 -1.789 1.00 0.00 H new ATOM 1572 N SER A 104 -2.977 8.013 2.074 1.00 0.00 N ATOM 1573 CA SER A 104 -2.996 8.771 3.319 1.00 0.00 C ATOM 1574 C SER A 104 -3.179 7.844 4.517 1.00 0.00 C ATOM 1575 O SER A 104 -4.089 7.014 4.540 1.00 0.00 O ATOM 1576 CB SER A 104 -4.096 9.813 3.281 1.00 0.00 C ATOM 1577 OG SER A 104 -3.834 10.822 2.345 1.00 0.00 O ATOM 0 H SER A 104 -3.857 7.550 1.849 1.00 0.00 H new ATOM 0 HA SER A 104 -2.037 9.278 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.043 9.331 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.209 10.257 4.270 1.00 0.00 H new ATOM 0 HG SER A 104 -4.567 11.472 2.351 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.308 7.989 5.509 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.301 7.093 6.660 1.00 0.00 C ATOM 1585 C PHE A 105 -1.978 7.855 7.941 1.00 0.00 C ATOM 1586 O PHE A 105 -1.396 8.939 7.902 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.295 5.959 6.450 1.00 0.00 C ATOM 1588 CG PHE A 105 0.129 6.425 6.339 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.647 6.834 5.119 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.953 6.457 7.454 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.955 7.262 5.015 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.262 6.885 7.353 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.764 7.287 6.134 1.00 0.00 C ATOM 0 H PHE A 105 -1.597 8.719 5.540 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.298 6.663 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.374 5.257 7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.561 5.413 5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.019 6.817 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.566 6.144 8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.346 7.577 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.893 6.905 8.230 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.788 7.621 6.054 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.363 7.281 9.078 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.044 7.866 10.375 1.00 0.00 C ATOM 1605 C VAL A 106 -0.621 7.519 10.799 1.00 0.00 C ATOM 1606 O VAL A 106 -0.203 6.365 10.722 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.025 7.392 11.464 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.633 7.964 12.819 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.448 7.792 11.111 1.00 0.00 C ATOM 0 H VAL A 106 -2.896 6.412 9.126 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.134 8.947 10.265 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.977 6.305 11.520 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.337 7.619 13.577 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.628 7.630 13.078 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.653 9.053 12.774 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.127 7.449 11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.511 8.877 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.729 7.338 10.161 1.00 0.00 H new ATOM 1619 N ALA A 107 0.118 8.528 11.249 1.00 0.00 N ATOM 1620 CA ALA A 107 1.503 8.337 11.661 1.00 0.00 C ATOM 1621 C ALA A 107 1.588 7.452 12.901 1.00 0.00 C ATOM 1622 O ALA A 107 0.830 7.628 13.853 1.00 0.00 O ATOM 1623 CB ALA A 107 2.167 9.680 11.922 1.00 0.00 C ATOM 0 H ALA A 107 -0.220 9.486 11.337 1.00 0.00 H new ATOM 0 HA ALA A 107 2.032 7.836 10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.201 9.521 12.229 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.147 10.279 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.630 10.204 12.713 1.00 0.00 H new ATOM 1629 N GLU A 108 2.518 6.501 12.881 1.00 0.00 N ATOM 1630 CA GLU A 108 2.701 5.589 14.002 1.00 0.00 C ATOM 1631 C GLU A 108 3.487 6.261 15.126 1.00 0.00 C ATOM 1632 O GLU A 108 4.556 6.829 14.897 1.00 0.00 O ATOM 1633 CB GLU A 108 3.413 4.314 13.547 1.00 0.00 C ATOM 1634 CG GLU A 108 3.774 3.357 14.675 1.00 0.00 C ATOM 1635 CD GLU A 108 2.586 3.078 15.553 1.00 0.00 C ATOM 1636 OE1 GLU A 108 1.675 2.429 15.100 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.638 3.416 16.713 1.00 0.00 O ATOM 0 H GLU A 108 3.155 6.343 12.100 1.00 0.00 H new ATOM 0 HA GLU A 108 1.716 5.321 14.384 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.775 3.791 12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.324 4.591 13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.148 2.422 14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.579 3.783 15.273 1.00 0.00 H new ATOM 1644 N THR A 109 2.950 6.190 16.341 1.00 0.00 N ATOM 1645 CA THR A 109 3.564 6.851 17.485 1.00 0.00 C ATOM 1646 C THR A 109 4.924 6.243 17.808 1.00 0.00 C ATOM 1647 O THR A 109 5.810 6.921 18.326 1.00 0.00 O ATOM 1648 CB THR A 109 2.666 6.769 18.733 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.450 5.395 19.080 1.00 0.00 O ATOM 1650 CG2 THR A 109 1.326 7.439 18.472 1.00 0.00 C ATOM 0 H THR A 109 2.092 5.682 16.557 1.00 0.00 H new ATOM 0 HA THR A 109 3.694 7.898 17.211 1.00 0.00 H new ATOM 0 HB THR A 109 3.164 7.285 19.554 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.619 4.830 18.298 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.705 7.371 19.365 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.486 8.487 18.220 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.825 6.940 17.643 1.00 0.00 H new ATOM 1658 N GLU A 110 5.082 4.960 17.498 1.00 0.00 N ATOM 1659 CA GLU A 110 6.312 4.244 17.815 1.00 0.00 C ATOM 1660 C GLU A 110 7.448 4.679 16.896 1.00 0.00 C ATOM 1661 O GLU A 110 8.623 4.495 17.212 1.00 0.00 O ATOM 1662 CB GLU A 110 6.096 2.732 17.710 1.00 0.00 C ATOM 1663 CG GLU A 110 5.185 2.150 18.782 1.00 0.00 C ATOM 1664 CD GLU A 110 4.984 0.674 18.586 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.523 0.140 17.647 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.384 0.058 19.435 1.00 0.00 O ATOM 0 H GLU A 110 4.374 4.396 17.028 1.00 0.00 H new ATOM 0 HA GLU A 110 6.588 4.488 18.841 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.675 2.505 16.731 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.064 2.234 17.764 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.616 2.333 19.767 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.220 2.657 18.757 1.00 0.00 H new ATOM 1673 N TYR A 111 7.088 5.256 15.753 1.00 0.00 N ATOM 1674 CA TYR A 111 8.074 5.656 14.756 1.00 0.00 C ATOM 1675 C TYR A 111 7.945 7.138 14.426 1.00 0.00 C ATOM 1676 O TYR A 111 6.858 7.718 14.467 1.00 0.00 O ATOM 1677 CB TYR A 111 7.921 4.817 13.485 1.00 0.00 C ATOM 1678 CG TYR A 111 8.285 3.360 13.664 1.00 0.00 C ATOM 1679 CD1 TYR A 111 7.332 2.431 14.053 1.00 0.00 C ATOM 1680 CD2 TYR A 111 9.580 2.918 13.442 1.00 0.00 C ATOM 1681 CE1 TYR A 111 7.658 1.098 14.219 1.00 0.00 C ATOM 1682 CE2 TYR A 111 9.919 1.589 13.604 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.954 0.682 13.993 1.00 0.00 C ATOM 1684 OH TYR A 111 9.286 -0.644 14.154 1.00 0.00 O ATOM 0 H TYR A 111 6.122 5.457 15.495 1.00 0.00 H new ATOM 0 HA TYR A 111 9.066 5.483 15.174 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.889 4.884 13.140 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.548 5.244 12.702 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.317 2.755 14.229 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.337 3.625 13.137 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.904 0.387 14.523 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.933 1.261 13.427 1.00 0.00 H new ATOM 0 HH TYR A 111 10.237 -0.770 13.955 1.00 0.00 H new ATOM 1694 N PRO A 112 9.079 7.771 14.091 1.00 0.00 N ATOM 1695 CA PRO A 112 9.111 9.178 13.683 1.00 0.00 C ATOM 1696 C PRO A 112 8.184 9.461 12.505 1.00 0.00 C ATOM 1697 O PRO A 112 8.018 8.623 11.619 1.00 0.00 O ATOM 1698 CB PRO A 112 10.579 9.425 13.322 1.00 0.00 C ATOM 1699 CG PRO A 112 11.330 8.394 14.093 1.00 0.00 C ATOM 1700 CD PRO A 112 10.442 7.177 14.099 1.00 0.00 C ATOM 0 HA PRO A 112 8.755 9.841 14.472 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.747 9.320 12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.892 10.432 13.597 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.291 8.177 13.627 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.537 8.735 15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.614 6.545 13.228 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.609 6.557 14.980 1.00 0.00 H new ATOM 1708 N VAL A 113 7.584 10.646 12.502 1.00 0.00 N ATOM 1709 CA VAL A 113 6.747 11.077 11.388 1.00 0.00 C ATOM 1710 C VAL A 113 7.516 11.030 10.072 1.00 0.00 C ATOM 1711 O VAL A 113 7.006 10.548 9.062 1.00 0.00 O ATOM 1712 CB VAL A 113 6.207 12.503 11.606 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.532 13.015 10.343 1.00 0.00 C ATOM 1714 CG2 VAL A 113 5.236 12.532 12.776 1.00 0.00 C ATOM 0 H VAL A 113 7.662 11.326 13.259 1.00 0.00 H new ATOM 0 HA VAL A 113 5.907 10.385 11.339 1.00 0.00 H new ATOM 0 HB VAL A 113 7.047 13.157 11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.156 14.024 10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.253 13.031 9.526 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.702 12.358 10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.865 13.547 12.915 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.399 11.864 12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.747 12.205 13.681 1.00 0.00 H new ATOM 1724 N GLU A 114 8.746 11.533 10.093 1.00 0.00 N ATOM 1725 CA GLU A 114 9.587 11.542 8.903 1.00 0.00 C ATOM 1726 C GLU A 114 9.930 10.120 8.468 1.00 0.00 C ATOM 1727 O GLU A 114 10.003 9.826 7.274 1.00 0.00 O ATOM 1728 CB GLU A 114 10.868 12.340 9.156 1.00 0.00 C ATOM 1729 CG GLU A 114 10.656 13.841 9.290 1.00 0.00 C ATOM 1730 CD GLU A 114 11.935 14.543 9.656 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.918 13.873 9.865 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.959 15.751 9.615 1.00 0.00 O ATOM 0 H GLU A 114 9.182 11.939 10.921 1.00 0.00 H new ATOM 0 HA GLU A 114 9.028 12.022 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.339 11.969 10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.565 12.155 8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.275 14.242 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.900 14.037 10.051 1.00 0.00 H new ATOM 1739 N GLN A 115 10.140 9.242 9.443 1.00 0.00 N ATOM 1740 CA GLN A 115 10.511 7.861 9.161 1.00 0.00 C ATOM 1741 C GLN A 115 9.391 7.135 8.425 1.00 0.00 C ATOM 1742 O GLN A 115 9.642 6.366 7.498 1.00 0.00 O ATOM 1743 CB GLN A 115 10.845 7.119 10.458 1.00 0.00 C ATOM 1744 CG GLN A 115 11.335 5.696 10.252 1.00 0.00 C ATOM 1745 CD GLN A 115 12.647 5.639 9.494 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.581 6.392 9.784 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.724 4.748 8.512 1.00 0.00 N ATOM 0 H GLN A 115 10.059 9.463 10.436 1.00 0.00 H new ATOM 0 HA GLN A 115 11.394 7.876 8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.608 7.680 10.998 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.957 7.098 11.090 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.458 5.213 11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.579 5.130 9.707 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.927 4.145 8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.580 4.666 7.963 1.00 0.00 H new ATOM 1756 N GLN A 116 8.155 7.386 8.844 1.00 0.00 N ATOM 1757 CA GLN A 116 6.992 6.799 8.187 1.00 0.00 C ATOM 1758 C GLN A 116 6.775 7.418 6.810 1.00 0.00 C ATOM 1759 O GLN A 116 6.453 6.718 5.850 1.00 0.00 O ATOM 1760 CB GLN A 116 5.737 6.986 9.044 1.00 0.00 C ATOM 1761 CG GLN A 116 5.691 6.105 10.281 1.00 0.00 C ATOM 1762 CD GLN A 116 5.586 4.632 9.937 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.647 4.202 9.261 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.549 3.846 10.406 1.00 0.00 N ATOM 0 H GLN A 116 7.933 7.991 9.634 1.00 0.00 H new ATOM 0 HA GLN A 116 7.181 5.733 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.673 8.030 9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.859 6.780 8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.588 6.273 10.877 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.840 6.393 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.307 4.244 10.961 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.530 2.845 10.211 1.00 0.00 H new ATOM 1773 N GLN A 117 6.953 8.732 6.723 1.00 0.00 N ATOM 1774 CA GLN A 117 6.784 9.443 5.462 1.00 0.00 C ATOM 1775 C GLN A 117 7.685 8.856 4.381 1.00 0.00 C ATOM 1776 O GLN A 117 7.235 8.563 3.274 1.00 0.00 O ATOM 1777 CB GLN A 117 7.089 10.933 5.640 1.00 0.00 C ATOM 1778 CG GLN A 117 6.914 11.759 4.377 1.00 0.00 C ATOM 1779 CD GLN A 117 7.228 13.226 4.598 1.00 0.00 C ATOM 1780 OE1 GLN A 117 7.655 13.627 5.684 1.00 0.00 O ATOM 1781 NE2 GLN A 117 7.013 14.038 3.569 1.00 0.00 N ATOM 0 H GLN A 117 7.214 9.325 7.510 1.00 0.00 H new ATOM 0 HA GLN A 117 5.746 9.328 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.439 11.335 6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.114 11.043 5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.564 11.365 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.889 11.659 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.659 13.663 2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.202 15.036 3.659 1.00 0.00 H new ATOM 1790 N GLN A 118 8.963 8.690 4.710 1.00 0.00 N ATOM 1791 CA GLN A 118 9.940 8.198 3.747 1.00 0.00 C ATOM 1792 C GLN A 118 9.713 6.718 3.448 1.00 0.00 C ATOM 1793 O GLN A 118 9.798 6.288 2.299 1.00 0.00 O ATOM 1794 CB GLN A 118 11.364 8.410 4.271 1.00 0.00 C ATOM 1795 CG GLN A 118 11.804 9.863 4.304 1.00 0.00 C ATOM 1796 CD GLN A 118 13.187 10.034 4.902 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.797 9.072 5.378 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.691 11.263 4.884 1.00 0.00 N ATOM 0 H GLN A 118 9.345 8.889 5.635 1.00 0.00 H new ATOM 0 HA GLN A 118 9.814 8.763 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.434 7.998 5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.057 7.846 3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.797 10.265 3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.086 10.444 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.152 12.029 4.480 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.617 11.440 5.274 1.00 0.00 H new ATOM 1807 N GLY A 119 9.427 5.946 4.490 1.00 0.00 N ATOM 1808 CA GLY A 119 9.261 4.513 4.328 1.00 0.00 C ATOM 1809 C GLY A 119 8.073 4.161 3.454 1.00 0.00 C ATOM 1810 O GLY A 119 8.173 3.303 2.578 1.00 0.00 O ATOM 0 H GLY A 119 9.307 6.286 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.167 4.093 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.136 4.052 5.308 1.00 0.00 H new ATOM 1814 N TRP A 120 6.949 4.823 3.695 1.00 0.00 N ATOM 1815 CA TRP A 120 5.736 4.577 2.921 1.00 0.00 C ATOM 1816 C TRP A 120 5.904 5.058 1.483 1.00 0.00 C ATOM 1817 O TRP A 120 5.400 4.433 0.549 1.00 0.00 O ATOM 1818 CB TRP A 120 4.537 5.269 3.571 1.00 0.00 C ATOM 1819 CG TRP A 120 3.936 4.488 4.701 1.00 0.00 C ATOM 1820 CD1 TRP A 120 4.445 4.348 5.957 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.713 3.741 4.677 1.00 0.00 C ATOM 1822 NE1 TRP A 120 3.617 3.561 6.717 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.545 3.175 5.953 1.00 0.00 C ATOM 1824 CE3 TRP A 120 1.743 3.497 3.696 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.455 2.383 6.277 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 0.650 2.703 4.022 1.00 0.00 C ATOM 1827 CH2 TRP A 120 0.509 2.163 5.276 1.00 0.00 C ATOM 0 H TRP A 120 6.850 5.534 4.419 1.00 0.00 H new ATOM 0 HA TRP A 120 5.556 3.502 2.906 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.848 6.246 3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.773 5.443 2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.366 4.792 6.304 1.00 0.00 H new ATOM 0 HE1 TRP A 120 3.773 3.305 7.692 1.00 0.00 H new ATOM 0 HE3 TRP A 120 1.843 3.918 2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.343 1.955 7.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -0.104 2.507 3.274 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -0.355 1.553 5.493 1.00 0.00 H new ATOM 1838 N GLN A 121 6.614 6.169 1.312 1.00 0.00 N ATOM 1839 CA GLN A 121 6.946 6.665 -0.017 1.00 0.00 C ATOM 1840 C GLN A 121 7.856 5.686 -0.752 1.00 0.00 C ATOM 1841 O GLN A 121 7.694 5.453 -1.950 1.00 0.00 O ATOM 1842 CB GLN A 121 7.624 8.035 0.073 1.00 0.00 C ATOM 1843 CG GLN A 121 7.957 8.655 -1.272 1.00 0.00 C ATOM 1844 CD GLN A 121 6.717 8.988 -2.079 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.816 9.681 -1.599 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.662 8.492 -3.310 1.00 0.00 N ATOM 0 H GLN A 121 6.970 6.742 2.077 1.00 0.00 H new ATOM 0 HA GLN A 121 6.016 6.765 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.973 8.715 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.542 7.936 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.540 9.563 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.583 7.968 -1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.431 7.924 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.851 8.679 -3.900 1.00 0.00 H new ATOM 1855 N ALA A 122 8.812 5.114 -0.026 1.00 0.00 N ATOM 1856 CA ALA A 122 9.730 4.141 -0.605 1.00 0.00 C ATOM 1857 C ALA A 122 8.985 2.905 -1.095 1.00 0.00 C ATOM 1858 O ALA A 122 9.352 2.308 -2.106 1.00 0.00 O ATOM 1859 CB ALA A 122 10.792 3.750 0.413 1.00 0.00 C ATOM 0 H ALA A 122 8.970 5.308 0.963 1.00 0.00 H new ATOM 0 HA ALA A 122 10.216 4.603 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.472 3.023 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.353 4.635 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.313 3.311 1.288 1.00 0.00 H new ATOM 1865 N ILE A 123 7.935 2.527 -0.372 1.00 0.00 N ATOM 1866 CA ILE A 123 7.094 1.409 -0.777 1.00 0.00 C ATOM 1867 C ILE A 123 6.367 1.713 -2.083 1.00 0.00 C ATOM 1868 O ILE A 123 6.311 0.876 -2.985 1.00 0.00 O ATOM 1869 CB ILE A 123 6.058 1.060 0.308 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.753 0.483 1.543 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.029 0.079 -0.236 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.855 0.375 2.755 1.00 0.00 C ATOM 0 H ILE A 123 7.648 2.979 0.496 1.00 0.00 H new ATOM 0 HA ILE A 123 7.754 0.554 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 123 5.540 1.973 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.141 -0.506 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.610 1.109 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.304 -0.157 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.515 0.526 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.530 -0.835 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.419 -0.042 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.487 1.365 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.011 -0.276 2.526 1.00 0.00 H new ATOM 1884 N LEU A 124 5.813 2.917 -2.180 1.00 0.00 N ATOM 1885 CA LEU A 124 5.171 3.367 -3.410 1.00 0.00 C ATOM 1886 C LEU A 124 6.193 3.515 -4.533 1.00 0.00 C ATOM 1887 O LEU A 124 5.888 3.266 -5.699 1.00 0.00 O ATOM 1888 CB LEU A 124 4.439 4.694 -3.172 1.00 0.00 C ATOM 1889 CG LEU A 124 3.154 4.591 -2.339 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.531 5.969 -2.166 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.181 3.641 -3.021 1.00 0.00 C ATOM 0 H LEU A 124 5.796 3.599 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 124 4.442 2.615 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.121 5.383 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.192 5.133 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 124 3.393 4.199 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.620 5.885 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.236 6.626 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.290 6.385 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.269 3.568 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.940 4.019 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.637 2.655 -3.108 1.00 0.00 H new ATOM 1903 N ASN A 125 7.405 3.924 -4.174 1.00 0.00 N ATOM 1904 CA ASN A 125 8.494 4.028 -5.138 1.00 0.00 C ATOM 1905 C ASN A 125 8.869 2.654 -5.685 1.00 0.00 C ATOM 1906 O ASN A 125 9.167 2.507 -6.870 1.00 0.00 O ATOM 1907 CB ASN A 125 9.710 4.704 -4.533 1.00 0.00 C ATOM 1908 CG ASN A 125 9.510 6.167 -4.251 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.562 6.791 -4.740 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.443 6.735 -3.530 1.00 0.00 N ATOM 0 H ASN A 125 7.658 4.189 -3.222 1.00 0.00 H new ATOM 0 HA ASN A 125 8.141 4.647 -5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.973 4.197 -3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.555 4.586 -5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.408 7.738 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.205 6.174 -3.149 1.00 0.00 H new ATOM 1917 N ASN A 126 8.851 1.652 -4.813 1.00 0.00 N ATOM 1918 CA ASN A 126 9.058 0.270 -5.234 1.00 0.00 C ATOM 1919 C ASN A 126 7.904 -0.210 -6.110 1.00 0.00 C ATOM 1920 O ASN A 126 8.105 -0.970 -7.059 1.00 0.00 O ATOM 1921 CB ASN A 126 9.235 -0.654 -4.043 1.00 0.00 C ATOM 1922 CG ASN A 126 10.569 -0.518 -3.365 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.564 -0.120 -3.981 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.614 -0.922 -2.120 1.00 0.00 N ATOM 0 H ASN A 126 8.696 1.770 -3.812 1.00 0.00 H new ATOM 0 HA ASN A 126 9.976 0.242 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.447 -0.452 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.109 -1.685 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.500 -0.917 -1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.763 -1.241 -1.656 1.00 0.00 H new ATOM 1931 N PHE A 127 6.695 0.237 -5.787 1.00 0.00 N ATOM 1932 CA PHE A 127 5.532 -0.031 -6.622 1.00 0.00 C ATOM 1933 C PHE A 127 5.737 0.514 -8.033 1.00 0.00 C ATOM 1934 O PHE A 127 5.422 -0.149 -9.020 1.00 0.00 O ATOM 1935 CB PHE A 127 4.273 0.576 -5.998 1.00 0.00 C ATOM 1936 CG PHE A 127 3.020 0.311 -6.781 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.051 -0.478 -7.922 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.807 0.850 -6.382 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.898 -0.722 -8.644 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.653 0.607 -7.101 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.700 -0.181 -8.233 1.00 0.00 C ATOM 0 H PHE A 127 6.496 0.787 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 127 5.405 -1.112 -6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.151 0.179 -4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.409 1.653 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.987 -0.906 -8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.764 1.468 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.936 -1.337 -9.531 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.285 1.033 -6.778 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.201 -0.373 -8.796 1.00 0.00 H new ATOM 1951 N LYS A 128 6.268 1.730 -8.118 1.00 0.00 N ATOM 1952 CA LYS A 128 6.591 2.334 -9.405 1.00 0.00 C ATOM 1953 C LYS A 128 7.598 1.483 -10.170 1.00 0.00 C ATOM 1954 O LYS A 128 7.434 1.230 -11.362 1.00 0.00 O ATOM 1955 CB LYS A 128 7.135 3.750 -9.211 1.00 0.00 C ATOM 1956 CG LYS A 128 7.469 4.479 -10.506 1.00 0.00 C ATOM 1957 CD LYS A 128 7.857 5.926 -10.244 1.00 0.00 C ATOM 1958 CE LYS A 128 8.108 6.677 -11.542 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.432 6.339 -12.133 1.00 0.00 N ATOM 0 H LYS A 128 6.483 2.316 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 128 5.674 2.388 -9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.401 4.336 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.033 3.700 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.287 3.967 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.610 4.447 -11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.064 6.421 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.753 5.957 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.320 6.439 -12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.057 7.750 -11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.608 6.945 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.178 6.494 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.436 5.342 -12.428 1.00 0.00 H new ATOM 1973 N ARG A 129 8.642 1.042 -9.475 1.00 0.00 N ATOM 1974 CA ARG A 129 9.659 0.190 -10.079 1.00 0.00 C ATOM 1975 C ARG A 129 9.051 -1.126 -10.557 1.00 0.00 C ATOM 1976 O ARG A 129 9.450 -1.666 -11.590 1.00 0.00 O ATOM 1977 CB ARG A 129 10.841 -0.044 -9.150 1.00 0.00 C ATOM 1978 CG ARG A 129 11.616 1.209 -8.774 1.00 0.00 C ATOM 1979 CD ARG A 129 12.265 1.895 -9.921 1.00 0.00 C ATOM 1980 NE ARG A 129 13.176 2.965 -9.546 1.00 0.00 N ATOM 1981 CZ ARG A 129 13.724 3.840 -10.411 1.00 0.00 C ATOM 1982 NH1 ARG A 129 13.489 3.755 -11.702 1.00 0.00 N ATOM 1983 NH2 ARG A 129 14.525 4.774 -9.930 1.00 0.00 N ATOM 0 H ARG A 129 8.805 1.261 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 129 10.049 0.718 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.479 -0.518 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.524 -0.748 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 129 10.938 1.908 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 129 12.381 0.943 -8.045 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.813 1.157 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 129 11.490 2.305 -10.569 1.00 0.00 H new ATOM 0 HE ARG A 129 13.417 3.059 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 129 12.883 3.018 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 129 13.912 4.426 -12.343 1.00 0.00 H new ATOM 0 HH21 ARG A 129 14.713 4.818 -8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 129 14.955 5.451 -10.560 1.00 0.00 H new ATOM 1997 N HIS A 130 8.083 -1.634 -9.802 1.00 0.00 N ATOM 1998 CA HIS A 130 7.349 -2.829 -10.202 1.00 0.00 C ATOM 1999 C HIS A 130 6.637 -2.609 -11.533 1.00 0.00 C ATOM 2000 O HIS A 130 6.693 -3.453 -12.427 1.00 0.00 O ATOM 2001 CB HIS A 130 6.339 -3.233 -9.124 1.00 0.00 C ATOM 2002 CG HIS A 130 5.551 -4.460 -9.466 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.019 -5.735 -9.227 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.329 -4.606 -10.029 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.117 -6.614 -9.629 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.084 -5.955 -10.120 1.00 0.00 N ATOM 0 H HIS A 130 7.788 -1.237 -8.910 1.00 0.00 H new ATOM 0 HA HIS A 130 8.069 -3.638 -10.324 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.869 -3.402 -8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.650 -2.405 -8.955 1.00 0.00 H new ATOM 0 HD1 HIS A 130 6.920 -5.964 -8.806 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.670 -3.812 -10.347 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.210 -7.688 -9.566 1.00 0.00 H new ATOM 2013 N VAL A 131 5.964 -1.469 -11.656 1.00 0.00 N ATOM 2014 CA VAL A 131 5.297 -1.106 -12.900 1.00 0.00 C ATOM 2015 C VAL A 131 6.298 -0.979 -14.043 1.00 0.00 C ATOM 2016 O VAL A 131 6.025 -1.398 -15.168 1.00 0.00 O ATOM 2017 CB VAL A 131 4.521 0.217 -12.760 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.029 0.693 -14.119 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.352 0.050 -11.801 1.00 0.00 C ATOM 0 H VAL A 131 5.867 -0.781 -10.909 1.00 0.00 H new ATOM 0 HA VAL A 131 4.592 -1.907 -13.125 1.00 0.00 H new ATOM 0 HB VAL A 131 5.196 0.970 -12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.483 1.629 -14.001 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.881 0.851 -14.780 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.370 -0.060 -14.551 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.815 0.995 -11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.677 -0.718 -12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.725 -0.247 -10.821 1.00 0.00 H new ATOM 2029 N GLU A 132 7.457 -0.400 -13.747 1.00 0.00 N ATOM 2030 CA GLU A 132 8.485 -0.189 -14.759 1.00 0.00 C ATOM 2031 C GLU A 132 8.978 -1.519 -15.321 1.00 0.00 C ATOM 2032 O GLU A 132 9.393 -1.602 -16.476 1.00 0.00 O ATOM 2033 CB GLU A 132 9.656 0.604 -14.174 1.00 0.00 C ATOM 2034 CG GLU A 132 9.364 2.080 -13.944 1.00 0.00 C ATOM 2035 CD GLU A 132 10.536 2.777 -13.310 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.516 2.125 -13.041 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.495 3.980 -13.198 1.00 0.00 O ATOM 0 H GLU A 132 7.708 -0.069 -12.815 1.00 0.00 H new ATOM 0 HA GLU A 132 8.044 0.385 -15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.947 0.152 -13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.510 0.516 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.125 2.558 -14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.487 2.184 -13.305 1.00 0.00 H new ATOM 2044 N SER A 133 8.928 -2.559 -14.494 1.00 0.00 N ATOM 2045 CA SER A 133 9.352 -3.889 -14.913 1.00 0.00 C ATOM 2046 C SER A 133 8.315 -4.525 -15.834 1.00 0.00 C ATOM 2047 O SER A 133 8.588 -5.522 -16.502 1.00 0.00 O ATOM 2048 CB SER A 133 9.596 -4.768 -13.701 1.00 0.00 C ATOM 2049 OG SER A 133 8.400 -5.145 -13.075 1.00 0.00 O ATOM 0 H SER A 133 8.598 -2.505 -13.530 1.00 0.00 H new ATOM 0 HA SER A 133 10.285 -3.793 -15.469 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.143 -5.661 -14.005 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.226 -4.236 -12.988 1.00 0.00 H new ATOM 0 HG SER A 133 7.700 -4.494 -13.289 1.00 0.00 H new ATOM 2055 N HIS A 134 7.121 -3.939 -15.863 1.00 0.00 N ATOM 2056 CA HIS A 134 6.065 -4.400 -16.759 1.00 0.00 C ATOM 2057 C HIS A 134 6.086 -3.616 -18.069 1.00 0.00 C ATOM 2058 O HIS A 134 5.144 -3.683 -18.859 1.00 0.00 O ATOM 2059 CB HIS A 134 4.692 -4.272 -16.091 1.00 0.00 C ATOM 2060 CG HIS A 134 4.497 -5.205 -14.936 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.458 -6.575 -15.085 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.327 -4.964 -13.615 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.274 -7.138 -13.903 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.191 -6.182 -12.995 1.00 0.00 N ATOM 0 H HIS A 134 6.861 -3.145 -15.277 1.00 0.00 H new ATOM 0 HA HIS A 134 6.248 -5.452 -16.980 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.560 -3.247 -15.745 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.917 -4.460 -16.834 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.303 -3.995 -13.138 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.204 -8.199 -13.712 1.00 0.00 H new ATOM 0 HE2 HIS A 134 4.049 -6.325 -11.995 1.00 0.00 H new