USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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 59 HIS : no HD1:sc= -1.52 K(o=-1.7,f=-3.4!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.181 X(o=-1.7,f=-1.5) USER MOD Set 2.1: A 44 THR OG1 : rot 62:sc= 0.875 USER MOD Set 2.2: A 46 ASN :FLIP amide:sc= -4.74! C(o=-5.6!,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0125 (180deg=-0.793) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.1!) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.14 F(o=-3.2!,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0494 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.00314 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.983 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -5.96! (180deg=-6.35!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 27 SER OG : rot 64:sc= 0.721 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -174:sc= -0.0336 (180deg=-0.0624) USER MOD Single : A 43 THR OG1 : rot -120:sc= -0.279 USER MOD Single : A 52 THR OG1 : rot -47:sc= 0.607 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -7.7! C(o=-9.6!,f=-7.7!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.359 F(o=-1!,f=-0.36) USER MOD Single : A 64 HIS : no HD1:sc= -1.42! C(o=-1.4!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 63.563 -3.051 21.166 1.00 1.00 N ATOM 2 CA MET A 1 64.889 -2.759 20.553 1.00 1.00 C ATOM 3 C MET A 1 64.957 -3.392 19.167 1.00 1.00 C ATOM 4 O MET A 1 64.023 -4.069 18.738 1.00 1.00 O ATOM 5 CB MET A 1 65.997 -3.327 21.442 1.00 1.00 C ATOM 6 CG MET A 1 65.643 -3.094 22.912 1.00 1.00 C ATOM 7 SD MET A 1 67.142 -3.214 23.919 1.00 1.00 S ATOM 8 CE MET A 1 66.902 -4.917 24.483 1.00 1.00 C ATOM 0 H1 MET A 1 63.360 -2.348 21.906 1.00 1.00 H new ATOM 0 H2 MET A 1 62.825 -3.007 20.435 1.00 1.00 H new ATOM 0 H3 MET A 1 63.577 -4.002 21.587 1.00 1.00 H new ATOM 0 HA MET A 1 65.022 -1.681 20.461 1.00 1.00 H new ATOM 0 HB2 MET A 1 66.120 -4.393 21.251 1.00 1.00 H new ATOM 0 HB3 MET A 1 66.948 -2.849 21.206 1.00 1.00 H new ATOM 0 HG2 MET A 1 65.186 -2.112 23.036 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.910 -3.830 23.242 1.00 1.00 H new ATOM 0 HE1 MET A 1 67.729 -5.205 25.132 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.965 -4.989 25.035 1.00 1.00 H new ATOM 0 HE3 MET A 1 66.867 -5.584 23.622 1.00 1.00 H new ATOM 20 N GLU A 2 66.068 -3.166 18.472 1.00 1.00 N ATOM 21 CA GLU A 2 66.246 -3.720 17.136 1.00 1.00 C ATOM 22 C GLU A 2 66.497 -5.223 17.207 1.00 1.00 C ATOM 23 O GLU A 2 67.332 -5.758 16.477 1.00 1.00 O ATOM 24 CB GLU A 2 67.424 -3.036 16.440 1.00 1.00 C ATOM 25 CG GLU A 2 68.677 -3.168 17.307 1.00 1.00 C ATOM 26 CD GLU A 2 69.797 -3.827 16.510 1.00 1.00 C ATOM 27 OE1 GLU A 2 70.369 -3.158 15.665 1.00 1.00 O ATOM 28 OE2 GLU A 2 70.066 -4.992 16.755 1.00 1.00 O ATOM 0 H GLU A 2 66.852 -2.608 18.809 1.00 1.00 H new ATOM 0 HA GLU A 2 65.334 -3.543 16.566 1.00 1.00 H new ATOM 0 HB2 GLU A 2 67.596 -3.489 15.463 1.00 1.00 H new ATOM 0 HB3 GLU A 2 67.197 -1.984 16.268 1.00 1.00 H new ATOM 0 HG2 GLU A 2 68.995 -2.184 17.652 1.00 1.00 H new ATOM 0 HG3 GLU A 2 68.454 -3.760 18.194 1.00 1.00 H new ATOM 35 N GLU A 3 65.770 -5.898 18.091 1.00 1.00 N ATOM 36 CA GLU A 3 65.923 -7.339 18.250 1.00 1.00 C ATOM 37 C GLU A 3 65.122 -8.083 17.186 1.00 1.00 C ATOM 38 O GLU A 3 65.317 -9.280 16.972 1.00 1.00 O ATOM 39 CB GLU A 3 65.450 -7.766 19.641 1.00 1.00 C ATOM 40 CG GLU A 3 64.230 -6.933 20.041 1.00 1.00 C ATOM 41 CD GLU A 3 63.517 -7.589 21.219 1.00 1.00 C ATOM 42 OE1 GLU A 3 63.186 -8.758 21.110 1.00 1.00 O ATOM 43 OE2 GLU A 3 63.311 -6.912 22.213 1.00 1.00 O ATOM 0 H GLU A 3 65.074 -5.474 18.704 1.00 1.00 H new ATOM 0 HA GLU A 3 66.978 -7.588 18.135 1.00 1.00 H new ATOM 0 HB2 GLU A 3 65.196 -8.826 19.641 1.00 1.00 H new ATOM 0 HB3 GLU A 3 66.251 -7.630 20.367 1.00 1.00 H new ATOM 0 HG2 GLU A 3 64.540 -5.923 20.309 1.00 1.00 H new ATOM 0 HG3 GLU A 3 63.547 -6.843 19.196 1.00 1.00 H new ATOM 50 N GLY A 4 64.219 -7.367 16.524 1.00 1.00 N ATOM 51 CA GLY A 4 63.393 -7.971 15.485 1.00 1.00 C ATOM 52 C GLY A 4 64.164 -8.090 14.175 1.00 1.00 C ATOM 53 O GLY A 4 65.076 -8.909 14.054 1.00 1.00 O ATOM 0 H GLY A 4 64.041 -6.376 16.687 1.00 1.00 H new ATOM 0 HA2 GLY A 4 63.061 -8.958 15.807 1.00 1.00 H new ATOM 0 HA3 GLY A 4 62.498 -7.369 15.331 1.00 1.00 H new ATOM 57 N GLY A 5 63.795 -7.268 13.199 1.00 1.00 N ATOM 58 CA GLY A 5 64.460 -7.290 11.902 1.00 1.00 C ATOM 59 C GLY A 5 63.810 -6.302 10.939 1.00 1.00 C ATOM 60 O GLY A 5 64.320 -5.201 10.726 1.00 1.00 O ATOM 0 H GLY A 5 63.044 -6.582 13.280 1.00 1.00 H new ATOM 0 HA2 GLY A 5 65.514 -7.043 12.026 1.00 1.00 H new ATOM 0 HA3 GLY A 5 64.415 -8.295 11.483 1.00 1.00 H new ATOM 64 N ASP A 6 62.684 -6.702 10.360 1.00 1.00 N ATOM 65 CA ASP A 6 61.972 -5.844 9.420 1.00 1.00 C ATOM 66 C ASP A 6 60.778 -5.181 10.098 1.00 1.00 C ATOM 67 O ASP A 6 60.831 -4.008 10.464 1.00 1.00 O ATOM 68 CB ASP A 6 61.492 -6.665 8.222 1.00 1.00 C ATOM 69 CG ASP A 6 60.934 -8.002 8.697 1.00 1.00 C ATOM 70 OD1 ASP A 6 61.725 -8.847 9.085 1.00 1.00 O ATOM 71 OD2 ASP A 6 59.726 -8.162 8.666 1.00 1.00 O ATOM 0 H ASP A 6 62.246 -7.609 10.523 1.00 1.00 H new ATOM 0 HA ASP A 6 62.656 -5.068 9.076 1.00 1.00 H new ATOM 0 HB2 ASP A 6 60.725 -6.114 7.677 1.00 1.00 H new ATOM 0 HB3 ASP A 6 62.318 -6.831 7.530 1.00 1.00 H new ATOM 76 N PHE A 7 59.701 -5.943 10.263 1.00 1.00 N ATOM 77 CA PHE A 7 58.497 -5.422 10.899 1.00 1.00 C ATOM 78 C PHE A 7 58.023 -4.154 10.195 1.00 1.00 C ATOM 79 O PHE A 7 57.636 -3.181 10.842 1.00 1.00 O ATOM 80 CB PHE A 7 58.776 -5.115 12.372 1.00 1.00 C ATOM 81 CG PHE A 7 58.849 -6.407 13.150 1.00 1.00 C ATOM 82 CD1 PHE A 7 60.023 -7.169 13.134 1.00 1.00 C ATOM 83 CD2 PHE A 7 57.741 -6.844 13.887 1.00 1.00 C ATOM 84 CE1 PHE A 7 60.090 -8.367 13.855 1.00 1.00 C ATOM 85 CE2 PHE A 7 57.808 -8.043 14.607 1.00 1.00 C ATOM 86 CZ PHE A 7 58.983 -8.804 14.592 1.00 1.00 C ATOM 0 H PHE A 7 59.638 -6.917 9.967 1.00 1.00 H new ATOM 0 HA PHE A 7 57.715 -6.178 10.826 1.00 1.00 H new ATOM 0 HB2 PHE A 7 59.713 -4.566 12.469 1.00 1.00 H new ATOM 0 HB3 PHE A 7 57.990 -4.478 12.777 1.00 1.00 H new ATOM 0 HD1 PHE A 7 60.877 -6.833 12.565 1.00 1.00 H new ATOM 0 HD2 PHE A 7 56.835 -6.256 13.900 1.00 1.00 H new ATOM 0 HE1 PHE A 7 60.996 -8.954 13.843 1.00 1.00 H new ATOM 0 HE2 PHE A 7 56.953 -8.381 15.174 1.00 1.00 H new ATOM 0 HZ PHE A 7 59.035 -9.728 15.149 1.00 1.00 H new ATOM 96 N ASP A 8 58.053 -4.174 8.866 1.00 1.00 N ATOM 97 CA ASP A 8 57.621 -3.022 8.086 1.00 1.00 C ATOM 98 C ASP A 8 58.374 -1.770 8.520 1.00 1.00 C ATOM 99 O ASP A 8 57.774 -0.722 8.753 1.00 1.00 O ATOM 100 CB ASP A 8 56.118 -2.810 8.265 1.00 1.00 C ATOM 101 CG ASP A 8 55.545 -2.086 7.051 1.00 1.00 C ATOM 102 OD1 ASP A 8 56.314 -1.457 6.344 1.00 1.00 O ATOM 103 OD2 ASP A 8 54.346 -2.173 6.847 1.00 1.00 O ATOM 0 H ASP A 8 58.370 -4.969 8.311 1.00 1.00 H new ATOM 0 HA ASP A 8 57.837 -3.212 7.035 1.00 1.00 H new ATOM 0 HB2 ASP A 8 55.620 -3.771 8.394 1.00 1.00 H new ATOM 0 HB3 ASP A 8 55.929 -2.229 9.168 1.00 1.00 H new ATOM 108 N ASN A 9 59.693 -1.891 8.623 1.00 1.00 N ATOM 109 CA ASN A 9 60.525 -0.764 9.029 1.00 1.00 C ATOM 110 C ASN A 9 61.770 -0.679 8.154 1.00 1.00 C ATOM 111 O ASN A 9 62.671 -1.511 8.255 1.00 1.00 O ATOM 112 CB ASN A 9 60.938 -0.919 10.494 1.00 1.00 C ATOM 113 CG ASN A 9 60.632 0.364 11.260 1.00 1.00 C ATOM 114 OD1 ASN A 9 61.522 1.189 11.470 1.00 1.00 O ATOM 115 ND2 ASN A 9 59.421 0.583 11.691 1.00 1.00 N ATOM 0 H ASN A 9 60.206 -2.752 8.433 1.00 1.00 H new ATOM 0 HA ASN A 9 59.947 0.152 8.911 1.00 1.00 H new ATOM 0 HB2 ASN A 9 60.405 -1.757 10.944 1.00 1.00 H new ATOM 0 HB3 ASN A 9 62.002 -1.146 10.559 1.00 1.00 H new ATOM 0 HD21 ASN A 9 59.209 1.439 12.203 1.00 1.00 H new ATOM 0 HD22 ASN A 9 58.686 -0.102 11.516 1.00 1.00 H new ATOM 122 N TYR A 10 61.813 0.332 7.292 1.00 1.00 N ATOM 123 CA TYR A 10 62.952 0.517 6.403 1.00 1.00 C ATOM 124 C TYR A 10 63.311 -0.793 5.710 1.00 1.00 C ATOM 125 O TYR A 10 64.378 -0.917 5.108 1.00 1.00 O ATOM 126 CB TYR A 10 64.154 1.023 7.200 1.00 1.00 C ATOM 127 CG TYR A 10 65.046 1.845 6.301 1.00 1.00 C ATOM 128 CD1 TYR A 10 64.680 3.152 5.958 1.00 1.00 C ATOM 129 CD2 TYR A 10 66.238 1.300 5.810 1.00 1.00 C ATOM 130 CE1 TYR A 10 65.507 3.915 5.124 1.00 1.00 C ATOM 131 CE2 TYR A 10 67.065 2.063 4.976 1.00 1.00 C ATOM 132 CZ TYR A 10 66.699 3.369 4.633 1.00 1.00 C ATOM 133 OH TYR A 10 67.514 4.121 3.810 1.00 1.00 O ATOM 0 H TYR A 10 61.077 1.031 7.191 1.00 1.00 H new ATOM 0 HA TYR A 10 62.683 1.251 5.644 1.00 1.00 H new ATOM 0 HB2 TYR A 10 63.817 1.625 8.044 1.00 1.00 H new ATOM 0 HB3 TYR A 10 64.711 0.181 7.611 1.00 1.00 H new ATOM 0 HD1 TYR A 10 63.760 3.572 6.337 1.00 1.00 H new ATOM 0 HD2 TYR A 10 66.520 0.291 6.074 1.00 1.00 H new ATOM 0 HE1 TYR A 10 65.225 4.924 4.860 1.00 1.00 H new ATOM 0 HE2 TYR A 10 67.985 1.643 4.598 1.00 1.00 H new ATOM 0 HH TYR A 10 68.301 3.594 3.559 1.00 1.00 H new ATOM 143 N TYR A 11 62.414 -1.770 5.798 1.00 1.00 N ATOM 144 CA TYR A 11 62.647 -3.068 5.175 1.00 1.00 C ATOM 145 C TYR A 11 61.378 -3.572 4.496 1.00 1.00 C ATOM 146 O TYR A 11 60.513 -4.168 5.138 1.00 1.00 O ATOM 147 CB TYR A 11 63.100 -4.079 6.230 1.00 1.00 C ATOM 148 CG TYR A 11 64.567 -4.382 6.038 1.00 1.00 C ATOM 149 CD1 TYR A 11 65.534 -3.547 6.610 1.00 1.00 C ATOM 150 CD2 TYR A 11 64.960 -5.499 5.290 1.00 1.00 C ATOM 151 CE1 TYR A 11 66.894 -3.828 6.434 1.00 1.00 C ATOM 152 CE2 TYR A 11 66.320 -5.780 5.114 1.00 1.00 C ATOM 153 CZ TYR A 11 67.287 -4.944 5.686 1.00 1.00 C ATOM 154 OH TYR A 11 68.628 -5.222 5.511 1.00 1.00 O ATOM 0 H TYR A 11 61.525 -1.689 6.291 1.00 1.00 H new ATOM 0 HA TYR A 11 63.427 -2.954 4.422 1.00 1.00 H new ATOM 0 HB2 TYR A 11 62.928 -3.680 7.230 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.514 -4.995 6.147 1.00 1.00 H new ATOM 0 HD1 TYR A 11 65.231 -2.686 7.187 1.00 1.00 H new ATOM 0 HD2 TYR A 11 64.214 -6.143 4.849 1.00 1.00 H new ATOM 0 HE1 TYR A 11 67.640 -3.184 6.875 1.00 1.00 H new ATOM 0 HE2 TYR A 11 66.623 -6.641 4.537 1.00 1.00 H new ATOM 0 HH TYR A 11 68.726 -6.032 4.968 1.00 1.00 H new ATOM 164 N GLY A 12 61.273 -3.328 3.194 1.00 1.00 N ATOM 165 CA GLY A 12 60.104 -3.763 2.437 1.00 1.00 C ATOM 166 C GLY A 12 59.648 -2.677 1.468 1.00 1.00 C ATOM 167 O GLY A 12 59.500 -2.923 0.271 1.00 1.00 O ATOM 0 H GLY A 12 61.977 -2.835 2.644 1.00 1.00 H new ATOM 0 HA2 GLY A 12 60.341 -4.672 1.885 1.00 1.00 H new ATOM 0 HA3 GLY A 12 59.293 -4.009 3.122 1.00 1.00 H new ATOM 171 N ALA A 13 59.428 -1.477 1.994 1.00 1.00 N ATOM 172 CA ALA A 13 58.989 -0.360 1.165 1.00 1.00 C ATOM 173 C ALA A 13 60.160 0.566 0.848 1.00 1.00 C ATOM 174 O ALA A 13 59.966 1.727 0.489 1.00 1.00 O ATOM 175 CB ALA A 13 57.893 0.427 1.887 1.00 1.00 C ATOM 0 H ALA A 13 59.545 -1.253 2.982 1.00 1.00 H new ATOM 0 HA ALA A 13 58.594 -0.759 0.231 1.00 1.00 H new ATOM 0 HB1 ALA A 13 57.571 1.259 1.261 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.045 -0.228 2.085 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.282 0.811 2.830 1.00 1.00 H new ATOM 181 N ASP A 14 61.374 0.044 0.985 1.00 1.00 N ATOM 182 CA ASP A 14 62.569 0.833 0.712 1.00 1.00 C ATOM 183 C ASP A 14 63.108 0.524 -0.681 1.00 1.00 C ATOM 184 O ASP A 14 64.101 1.106 -1.116 1.00 1.00 O ATOM 185 CB ASP A 14 63.645 0.530 1.755 1.00 1.00 C ATOM 186 CG ASP A 14 64.560 -0.582 1.254 1.00 1.00 C ATOM 187 OD1 ASP A 14 64.158 -1.732 1.330 1.00 1.00 O ATOM 188 OD2 ASP A 14 65.649 -0.269 0.802 1.00 1.00 O ATOM 0 H ASP A 14 61.556 -0.915 1.281 1.00 1.00 H new ATOM 0 HA ASP A 14 62.303 1.889 0.761 1.00 1.00 H new ATOM 0 HB2 ASP A 14 64.228 1.428 1.959 1.00 1.00 H new ATOM 0 HB3 ASP A 14 63.179 0.233 2.694 1.00 1.00 H new ATOM 193 N ASN A 15 62.446 -0.396 -1.376 1.00 1.00 N ATOM 194 CA ASN A 15 62.868 -0.774 -2.719 1.00 1.00 C ATOM 195 C ASN A 15 61.657 -1.091 -3.592 1.00 1.00 C ATOM 196 O ASN A 15 61.420 -2.246 -3.947 1.00 1.00 O ATOM 197 CB ASN A 15 63.785 -1.997 -2.654 1.00 1.00 C ATOM 198 CG ASN A 15 63.234 -3.010 -1.656 1.00 1.00 C ATOM 199 OD1 ASN A 15 62.886 -2.648 -0.532 1.00 1.00 O ATOM 200 ND2 ASN A 15 63.133 -4.264 -2.001 1.00 1.00 N ATOM 0 H ASN A 15 61.622 -0.890 -1.034 1.00 1.00 H new ATOM 0 HA ASN A 15 63.410 0.064 -3.158 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.866 -2.453 -3.640 1.00 1.00 H new ATOM 0 HB3 ASN A 15 64.790 -1.693 -2.359 1.00 1.00 H new ATOM 0 HD21 ASN A 15 62.765 -4.947 -1.339 1.00 1.00 H new ATOM 0 HD22 ASN A 15 63.422 -4.561 -2.933 1.00 1.00 H new ATOM 207 N GLN A 16 60.895 -0.057 -3.934 1.00 1.00 N ATOM 208 CA GLN A 16 59.710 -0.237 -4.766 1.00 1.00 C ATOM 209 C GLN A 16 60.088 -0.240 -6.243 1.00 1.00 C ATOM 210 O GLN A 16 59.573 -1.040 -7.024 1.00 1.00 O ATOM 211 CB GLN A 16 58.707 0.886 -4.496 1.00 1.00 C ATOM 212 CG GLN A 16 58.533 1.064 -2.986 1.00 1.00 C ATOM 213 CD GLN A 16 59.261 2.320 -2.523 1.00 1.00 C ATOM 214 OE1 GLN A 16 60.405 2.210 -1.903 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 58.776 3.433 -2.731 1.00 1.00 N flip ATOM 0 H GLN A 16 61.074 0.906 -3.651 1.00 1.00 H new ATOM 0 HA GLN A 16 59.256 -1.196 -4.517 1.00 1.00 H new ATOM 0 HB2 GLN A 16 59.057 1.816 -4.944 1.00 1.00 H new ATOM 0 HB3 GLN A 16 57.748 0.650 -4.958 1.00 1.00 H new ATOM 0 HG2 GLN A 16 57.474 1.136 -2.739 1.00 1.00 H new ATOM 0 HG3 GLN A 16 58.924 0.192 -2.461 1.00 1.00 H new ATOM 0 HE21 GLN A 16 57.882 3.517 -3.215 1.00 1.00 H new ATOM 0 HE22 GLN A 16 59.268 4.270 -2.419 1.00 1.00 H new ATOM 224 N SER A 17 60.991 0.659 -6.619 1.00 1.00 N ATOM 225 CA SER A 17 61.431 0.752 -8.007 1.00 1.00 C ATOM 226 C SER A 17 62.659 -0.123 -8.239 1.00 1.00 C ATOM 227 O SER A 17 63.327 -0.011 -9.267 1.00 1.00 O ATOM 228 CB SER A 17 61.762 2.203 -8.354 1.00 1.00 C ATOM 229 OG SER A 17 62.411 2.814 -7.246 1.00 1.00 O ATOM 0 H SER A 17 61.430 1.329 -5.988 1.00 1.00 H new ATOM 0 HA SER A 17 60.623 0.402 -8.649 1.00 1.00 H new ATOM 0 HB2 SER A 17 62.405 2.241 -9.233 1.00 1.00 H new ATOM 0 HB3 SER A 17 60.850 2.747 -8.602 1.00 1.00 H new ATOM 0 HG SER A 17 62.626 3.744 -7.465 1.00 1.00 H new ATOM 235 N GLU A 18 62.951 -0.992 -7.277 1.00 1.00 N ATOM 236 CA GLU A 18 64.101 -1.880 -7.387 1.00 1.00 C ATOM 237 C GLU A 18 63.744 -3.283 -6.904 1.00 1.00 C ATOM 238 O GLU A 18 63.812 -3.575 -5.710 1.00 1.00 O ATOM 239 CB GLU A 18 65.264 -1.335 -6.557 1.00 1.00 C ATOM 240 CG GLU A 18 66.407 -2.351 -6.546 1.00 1.00 C ATOM 241 CD GLU A 18 67.736 -1.641 -6.312 1.00 1.00 C ATOM 242 OE1 GLU A 18 67.721 -0.589 -5.694 1.00 1.00 O ATOM 243 OE2 GLU A 18 68.748 -2.160 -6.753 1.00 1.00 O ATOM 0 H GLU A 18 62.411 -1.100 -6.418 1.00 1.00 H new ATOM 0 HA GLU A 18 64.396 -1.932 -8.435 1.00 1.00 H new ATOM 0 HB2 GLU A 18 65.609 -0.389 -6.974 1.00 1.00 H new ATOM 0 HB3 GLU A 18 64.934 -1.133 -5.538 1.00 1.00 H new ATOM 0 HG2 GLU A 18 66.239 -3.091 -5.764 1.00 1.00 H new ATOM 0 HG3 GLU A 18 66.435 -2.889 -7.494 1.00 1.00 H new ATOM 250 N CYS A 19 63.363 -4.146 -7.839 1.00 1.00 N ATOM 251 CA CYS A 19 62.997 -5.516 -7.498 1.00 1.00 C ATOM 252 C CYS A 19 63.555 -6.493 -8.527 1.00 1.00 C ATOM 253 O CYS A 19 63.240 -7.682 -8.502 1.00 1.00 O ATOM 254 CB CYS A 19 61.474 -5.650 -7.437 1.00 1.00 C ATOM 255 SG CYS A 19 60.734 -4.752 -8.824 1.00 1.00 S ATOM 0 H CYS A 19 63.300 -3.924 -8.832 1.00 1.00 H new ATOM 0 HA CYS A 19 63.422 -5.753 -6.523 1.00 1.00 H new ATOM 0 HB2 CYS A 19 61.189 -6.701 -7.477 1.00 1.00 H new ATOM 0 HB3 CYS A 19 61.101 -5.254 -6.493 1.00 1.00 H new ATOM 0 HG CYS A 19 59.440 -4.867 -8.775 1.00 1.00 H new ATOM 261 N GLU A 20 64.385 -5.982 -9.431 1.00 1.00 N ATOM 262 CA GLU A 20 64.982 -6.819 -10.465 1.00 1.00 C ATOM 263 C GLU A 20 66.041 -7.739 -9.865 1.00 1.00 C ATOM 264 O GLU A 20 66.834 -8.341 -10.589 1.00 1.00 O ATOM 265 CB GLU A 20 65.617 -5.942 -11.546 1.00 1.00 C ATOM 266 CG GLU A 20 66.690 -5.053 -10.916 1.00 1.00 C ATOM 267 CD GLU A 20 66.486 -3.605 -11.348 1.00 1.00 C ATOM 268 OE1 GLU A 20 66.948 -3.256 -12.421 1.00 1.00 O ATOM 269 OE2 GLU A 20 65.872 -2.865 -10.596 1.00 1.00 O ATOM 0 H GLU A 20 64.658 -5.000 -9.469 1.00 1.00 H new ATOM 0 HA GLU A 20 64.196 -7.430 -10.909 1.00 1.00 H new ATOM 0 HB2 GLU A 20 66.057 -6.566 -12.324 1.00 1.00 H new ATOM 0 HB3 GLU A 20 64.855 -5.327 -12.024 1.00 1.00 H new ATOM 0 HG2 GLU A 20 66.644 -5.127 -9.830 1.00 1.00 H new ATOM 0 HG3 GLU A 20 67.680 -5.395 -11.217 1.00 1.00 H new ATOM 276 N TYR A 21 66.048 -7.840 -8.541 1.00 1.00 N ATOM 277 CA TYR A 21 67.015 -8.688 -7.854 1.00 1.00 C ATOM 278 C TYR A 21 66.631 -10.159 -7.993 1.00 1.00 C ATOM 279 O TYR A 21 67.016 -10.991 -7.172 1.00 1.00 O ATOM 280 CB TYR A 21 67.080 -8.314 -6.372 1.00 1.00 C ATOM 281 CG TYR A 21 68.520 -8.104 -5.969 1.00 1.00 C ATOM 282 CD1 TYR A 21 69.100 -6.835 -6.079 1.00 1.00 C ATOM 283 CD2 TYR A 21 69.274 -9.179 -5.483 1.00 1.00 C ATOM 284 CE1 TYR A 21 70.436 -6.641 -5.704 1.00 1.00 C ATOM 285 CE2 TYR A 21 70.609 -8.985 -5.109 1.00 1.00 C ATOM 286 CZ TYR A 21 71.190 -7.716 -5.219 1.00 1.00 C ATOM 287 OH TYR A 21 72.505 -7.525 -4.850 1.00 1.00 O ATOM 0 H TYR A 21 65.400 -7.349 -7.925 1.00 1.00 H new ATOM 0 HA TYR A 21 67.993 -8.534 -8.310 1.00 1.00 H new ATOM 0 HB2 TYR A 21 66.504 -7.407 -6.189 1.00 1.00 H new ATOM 0 HB3 TYR A 21 66.633 -9.103 -5.767 1.00 1.00 H new ATOM 0 HD1 TYR A 21 68.518 -6.006 -6.453 1.00 1.00 H new ATOM 0 HD2 TYR A 21 68.826 -10.158 -5.397 1.00 1.00 H new ATOM 0 HE1 TYR A 21 70.884 -5.662 -5.789 1.00 1.00 H new ATOM 0 HE2 TYR A 21 71.191 -9.815 -4.735 1.00 1.00 H new ATOM 0 HH TYR A 21 72.883 -8.373 -4.535 1.00 1.00 H new ATOM 297 N THR A 22 65.871 -10.470 -9.037 1.00 1.00 N ATOM 298 CA THR A 22 65.441 -11.843 -9.274 1.00 1.00 C ATOM 299 C THR A 22 64.310 -12.222 -8.324 1.00 1.00 C ATOM 300 O THR A 22 64.231 -13.360 -7.860 1.00 1.00 O ATOM 301 CB THR A 22 66.618 -12.801 -9.076 1.00 1.00 C ATOM 302 OG1 THR A 22 67.832 -12.122 -9.365 1.00 1.00 O ATOM 303 CG2 THR A 22 66.466 -14.000 -10.012 1.00 1.00 C ATOM 0 H THR A 22 65.542 -9.796 -9.728 1.00 1.00 H new ATOM 0 HA THR A 22 65.080 -11.918 -10.300 1.00 1.00 H new ATOM 0 HB THR A 22 66.633 -13.150 -8.044 1.00 1.00 H new ATOM 0 HG1 THR A 22 68.587 -12.733 -9.237 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.305 -14.681 -9.870 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.534 -14.520 -9.789 1.00 1.00 H new ATOM 0 HG23 THR A 22 66.450 -13.655 -11.046 1.00 1.00 H new ATOM 311 N ASP A 23 63.436 -11.262 -8.039 1.00 1.00 N ATOM 312 CA ASP A 23 62.313 -11.505 -7.142 1.00 1.00 C ATOM 313 C ASP A 23 61.040 -10.867 -7.691 1.00 1.00 C ATOM 314 O ASP A 23 60.081 -10.641 -6.954 1.00 1.00 O ATOM 315 CB ASP A 23 62.616 -10.933 -5.755 1.00 1.00 C ATOM 316 CG ASP A 23 63.507 -11.896 -4.978 1.00 1.00 C ATOM 317 OD1 ASP A 23 63.010 -12.932 -4.568 1.00 1.00 O ATOM 318 OD2 ASP A 23 64.673 -11.585 -4.806 1.00 1.00 O ATOM 0 H ASP A 23 63.483 -10.314 -8.414 1.00 1.00 H new ATOM 0 HA ASP A 23 62.162 -12.582 -7.065 1.00 1.00 H new ATOM 0 HB2 ASP A 23 63.109 -9.966 -5.851 1.00 1.00 H new ATOM 0 HB3 ASP A 23 61.687 -10.765 -5.211 1.00 1.00 H new ATOM 323 N TRP A 24 61.041 -10.580 -8.988 1.00 1.00 N ATOM 324 CA TRP A 24 59.881 -9.968 -9.626 1.00 1.00 C ATOM 325 C TRP A 24 59.047 -11.024 -10.345 1.00 1.00 C ATOM 326 O TRP A 24 58.101 -10.698 -11.062 1.00 1.00 O ATOM 327 CB TRP A 24 60.336 -8.906 -10.628 1.00 1.00 C ATOM 328 CG TRP A 24 60.906 -9.573 -11.839 1.00 1.00 C ATOM 329 CD1 TRP A 24 62.082 -10.242 -11.874 1.00 1.00 C ATOM 330 CD2 TRP A 24 60.350 -9.647 -13.183 1.00 1.00 C ATOM 331 NE1 TRP A 24 62.282 -10.722 -13.157 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.242 -10.381 -13.999 1.00 1.00 C ATOM 333 CE3 TRP A 24 59.171 -9.153 -13.768 1.00 1.00 C ATOM 334 CZ2 TRP A 24 60.973 -10.617 -15.348 1.00 1.00 C ATOM 335 CZ3 TRP A 24 58.897 -9.389 -15.125 1.00 1.00 C ATOM 336 CH2 TRP A 24 59.796 -10.120 -15.914 1.00 1.00 C ATOM 0 H TRP A 24 61.826 -10.760 -9.614 1.00 1.00 H new ATOM 0 HA TRP A 24 59.269 -9.501 -8.854 1.00 1.00 H new ATOM 0 HB2 TRP A 24 59.494 -8.273 -10.911 1.00 1.00 H new ATOM 0 HB3 TRP A 24 61.083 -8.257 -10.172 1.00 1.00 H new ATOM 0 HD1 TRP A 24 62.753 -10.379 -11.039 1.00 1.00 H new ATOM 0 HE1 TRP A 24 63.098 -11.262 -13.445 1.00 1.00 H new ATOM 0 HE3 TRP A 24 58.471 -8.588 -13.170 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 61.670 -11.180 -15.951 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 57.988 -9.005 -15.564 1.00 1.00 H new ATOM 0 HH2 TRP A 24 59.579 -10.299 -16.957 1.00 1.00 H new ATOM 347 N LYS A 25 59.404 -12.288 -10.147 1.00 1.00 N ATOM 348 CA LYS A 25 58.680 -13.384 -10.782 1.00 1.00 C ATOM 349 C LYS A 25 58.505 -14.546 -9.809 1.00 1.00 C ATOM 350 O LYS A 25 58.136 -15.651 -10.208 1.00 1.00 O ATOM 351 CB LYS A 25 59.433 -13.865 -12.027 1.00 1.00 C ATOM 352 CG LYS A 25 60.944 -13.775 -11.792 1.00 1.00 C ATOM 353 CD LYS A 25 61.324 -14.601 -10.560 1.00 1.00 C ATOM 354 CE LYS A 25 62.830 -14.871 -10.572 1.00 1.00 C ATOM 355 NZ LYS A 25 63.552 -13.646 -11.018 1.00 1.00 N ATOM 0 H LYS A 25 60.184 -12.578 -9.557 1.00 1.00 H new ATOM 0 HA LYS A 25 57.696 -13.018 -11.076 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.153 -14.893 -12.257 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.154 -13.258 -12.888 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.480 -14.141 -12.667 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.239 -12.735 -11.650 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.047 -14.067 -9.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.775 -15.543 -10.557 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.166 -15.162 -9.577 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.056 -15.702 -11.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.572 -13.764 -10.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.383 -13.494 -12.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.206 -12.825 -10.483 1.00 1.00 H new ATOM 369 N SER A 26 58.771 -14.288 -8.533 1.00 1.00 N ATOM 370 CA SER A 26 58.639 -15.320 -7.512 1.00 1.00 C ATOM 371 C SER A 26 57.979 -14.753 -6.259 1.00 1.00 C ATOM 372 O SER A 26 56.756 -14.781 -6.124 1.00 1.00 O ATOM 373 CB SER A 26 60.016 -15.881 -7.155 1.00 1.00 C ATOM 374 OG SER A 26 60.534 -16.596 -8.270 1.00 1.00 O ATOM 0 H SER A 26 59.077 -13.380 -8.183 1.00 1.00 H new ATOM 0 HA SER A 26 58.013 -16.119 -7.909 1.00 1.00 H new ATOM 0 HB2 SER A 26 60.692 -15.071 -6.882 1.00 1.00 H new ATOM 0 HB3 SER A 26 59.940 -16.539 -6.289 1.00 1.00 H new ATOM 0 HG SER A 26 61.418 -16.956 -8.046 1.00 1.00 H new ATOM 380 N SER A 27 58.797 -14.241 -5.345 1.00 1.00 N ATOM 381 CA SER A 27 58.281 -13.670 -4.106 1.00 1.00 C ATOM 382 C SER A 27 57.679 -12.291 -4.361 1.00 1.00 C ATOM 383 O SER A 27 57.637 -11.447 -3.467 1.00 1.00 O ATOM 384 CB SER A 27 59.405 -13.555 -3.077 1.00 1.00 C ATOM 385 OG SER A 27 60.012 -12.274 -3.185 1.00 1.00 O ATOM 0 H SER A 27 59.812 -14.210 -5.437 1.00 1.00 H new ATOM 0 HA SER A 27 57.502 -14.328 -3.721 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.009 -13.699 -2.072 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.147 -14.337 -3.243 1.00 1.00 H new ATOM 0 HG SER A 27 59.358 -11.582 -2.956 1.00 1.00 H new ATOM 391 N GLY A 28 57.216 -12.071 -5.588 1.00 1.00 N ATOM 392 CA GLY A 28 56.619 -10.791 -5.949 1.00 1.00 C ATOM 393 C GLY A 28 55.366 -10.993 -6.795 1.00 1.00 C ATOM 394 O GLY A 28 55.015 -10.146 -7.615 1.00 1.00 O ATOM 0 H GLY A 28 57.242 -12.757 -6.343 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.367 -10.235 -5.046 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.342 -10.191 -6.501 1.00 1.00 H new ATOM 398 N ALA A 29 54.696 -12.123 -6.589 1.00 1.00 N ATOM 399 CA ALA A 29 53.482 -12.428 -7.339 1.00 1.00 C ATOM 400 C ALA A 29 52.419 -13.015 -6.417 1.00 1.00 C ATOM 401 O ALA A 29 51.243 -13.087 -6.776 1.00 1.00 O ATOM 402 CB ALA A 29 53.795 -13.420 -8.459 1.00 1.00 C ATOM 0 H ALA A 29 54.970 -12.837 -5.915 1.00 1.00 H new ATOM 0 HA ALA A 29 53.101 -11.503 -7.772 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.883 -13.642 -9.014 1.00 1.00 H new ATOM 0 HB2 ALA A 29 54.533 -12.986 -9.133 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.192 -14.340 -8.030 1.00 1.00 H new ATOM 408 N LEU A 30 52.840 -13.435 -5.228 1.00 1.00 N ATOM 409 CA LEU A 30 51.916 -14.015 -4.259 1.00 1.00 C ATOM 410 C LEU A 30 52.187 -13.466 -2.863 1.00 1.00 C ATOM 411 O LEU A 30 51.413 -13.695 -1.934 1.00 1.00 O ATOM 412 CB LEU A 30 52.058 -15.539 -4.247 1.00 1.00 C ATOM 413 CG LEU A 30 53.531 -15.919 -4.409 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.835 -17.156 -3.563 1.00 1.00 C ATOM 415 CD2 LEU A 30 53.819 -16.226 -5.881 1.00 1.00 C ATOM 0 H LEU A 30 53.809 -13.385 -4.913 1.00 1.00 H new ATOM 0 HA LEU A 30 50.900 -13.748 -4.551 1.00 1.00 H new ATOM 0 HB2 LEU A 30 51.668 -15.943 -3.313 1.00 1.00 H new ATOM 0 HB3 LEU A 30 51.469 -15.976 -5.053 1.00 1.00 H new ATOM 0 HG LEU A 30 54.158 -15.090 -4.080 1.00 1.00 H new ATOM 0 HD11 LEU A 30 54.884 -17.427 -3.678 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.629 -16.939 -2.515 1.00 1.00 H new ATOM 0 HD13 LEU A 30 53.208 -17.985 -3.892 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.868 -16.497 -5.998 1.00 1.00 H new ATOM 0 HD22 LEU A 30 53.192 -17.055 -6.209 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.602 -15.345 -6.486 1.00 1.00 H new ATOM 427 N ILE A 31 53.291 -12.738 -2.722 1.00 1.00 N ATOM 428 CA ILE A 31 53.652 -12.159 -1.434 1.00 1.00 C ATOM 429 C ILE A 31 52.828 -10.898 -1.150 1.00 1.00 C ATOM 430 O ILE A 31 52.402 -10.679 -0.017 1.00 1.00 O ATOM 431 CB ILE A 31 55.163 -11.854 -1.404 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.871 -12.936 -0.585 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.443 -10.485 -0.767 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.582 -14.310 -1.193 1.00 1.00 C ATOM 0 H ILE A 31 53.946 -12.537 -3.478 1.00 1.00 H new ATOM 0 HA ILE A 31 53.427 -12.880 -0.648 1.00 1.00 H new ATOM 0 HB ILE A 31 55.532 -11.839 -2.429 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.945 -12.752 -0.571 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.529 -12.906 0.450 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.517 -10.299 -0.761 1.00 1.00 H new ATOM 0 HG22 ILE A 31 54.944 -9.706 -1.344 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.067 -10.476 0.256 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.087 -15.080 -0.609 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.508 -14.493 -1.184 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.946 -14.337 -2.220 1.00 1.00 H new ATOM 446 N PRO A 32 52.597 -10.067 -2.140 1.00 1.00 N ATOM 447 CA PRO A 32 51.815 -8.818 -1.965 1.00 1.00 C ATOM 448 C PRO A 32 50.315 -9.048 -2.134 1.00 1.00 C ATOM 449 O PRO A 32 49.572 -8.129 -2.478 1.00 1.00 O ATOM 450 CB PRO A 32 52.359 -7.912 -3.066 1.00 1.00 C ATOM 451 CG PRO A 32 52.827 -8.829 -4.154 1.00 1.00 C ATOM 452 CD PRO A 32 53.051 -10.215 -3.531 1.00 1.00 C ATOM 0 HA PRO A 32 51.919 -8.398 -0.964 1.00 1.00 H new ATOM 0 HB2 PRO A 32 51.588 -7.234 -3.431 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.177 -7.295 -2.696 1.00 1.00 H new ATOM 0 HG2 PRO A 32 52.087 -8.884 -4.953 1.00 1.00 H new ATOM 0 HG3 PRO A 32 53.750 -8.456 -4.599 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.482 -10.983 -4.055 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.100 -10.507 -3.578 1.00 1.00 H new ATOM 460 N ALA A 33 49.881 -10.282 -1.890 1.00 1.00 N ATOM 461 CA ALA A 33 48.470 -10.630 -2.016 1.00 1.00 C ATOM 462 C ALA A 33 47.987 -11.360 -0.768 1.00 1.00 C ATOM 463 O ALA A 33 46.855 -11.841 -0.716 1.00 1.00 O ATOM 464 CB ALA A 33 48.259 -11.521 -3.243 1.00 1.00 C ATOM 0 H ALA A 33 50.484 -11.054 -1.605 1.00 1.00 H new ATOM 0 HA ALA A 33 47.897 -9.710 -2.132 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.203 -11.776 -3.330 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.578 -10.988 -4.139 1.00 1.00 H new ATOM 0 HB3 ALA A 33 48.845 -12.434 -3.135 1.00 1.00 H new ATOM 470 N ILE A 34 48.853 -11.437 0.238 1.00 1.00 N ATOM 471 CA ILE A 34 48.505 -12.110 1.484 1.00 1.00 C ATOM 472 C ILE A 34 49.146 -11.400 2.672 1.00 1.00 C ATOM 473 O ILE A 34 48.522 -11.237 3.721 1.00 1.00 O ATOM 474 CB ILE A 34 48.975 -13.563 1.442 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.851 -13.777 0.206 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.761 -14.492 1.372 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.428 -15.192 0.231 1.00 1.00 C ATOM 0 H ILE A 34 49.794 -11.045 0.215 1.00 1.00 H new ATOM 0 HA ILE A 34 47.421 -12.083 1.599 1.00 1.00 H new ATOM 0 HB ILE A 34 49.550 -13.785 2.341 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.263 -13.628 -0.700 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.657 -13.044 0.187 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.097 -15.528 1.342 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.135 -14.339 2.251 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.185 -14.271 0.473 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.052 -15.346 -0.649 1.00 1.00 H new ATOM 0 HD12 ILE A 34 51.030 -15.324 1.130 1.00 1.00 H new ATOM 0 HD13 ILE A 34 49.614 -15.917 0.230 1.00 1.00 H new ATOM 489 N TYR A 35 50.395 -10.979 2.500 1.00 1.00 N ATOM 490 CA TYR A 35 51.112 -10.288 3.565 1.00 1.00 C ATOM 491 C TYR A 35 50.634 -8.844 3.681 1.00 1.00 C ATOM 492 O TYR A 35 51.372 -7.971 4.139 1.00 1.00 O ATOM 493 CB TYR A 35 52.615 -10.307 3.282 1.00 1.00 C ATOM 494 CG TYR A 35 53.175 -11.666 3.625 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.061 -12.722 2.711 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.807 -11.873 4.857 1.00 1.00 C ATOM 497 CE1 TYR A 35 53.582 -13.982 3.028 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.327 -13.134 5.174 1.00 1.00 C ATOM 499 CZ TYR A 35 54.214 -14.188 4.260 1.00 1.00 C ATOM 500 OH TYR A 35 54.726 -15.431 4.573 1.00 1.00 O ATOM 0 H TYR A 35 50.928 -11.103 1.639 1.00 1.00 H new ATOM 0 HA TYR A 35 50.913 -10.803 4.505 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.801 -10.080 2.232 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.116 -9.537 3.869 1.00 1.00 H new ATOM 0 HD1 TYR A 35 52.571 -12.564 1.762 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.893 -11.060 5.563 1.00 1.00 H new ATOM 0 HE1 TYR A 35 53.496 -14.795 2.322 1.00 1.00 H new ATOM 0 HE2 TYR A 35 54.815 -13.293 6.124 1.00 1.00 H new ATOM 0 HH TYR A 35 55.132 -15.402 5.464 1.00 1.00 H new ATOM 510 N MET A 36 49.395 -8.600 3.263 1.00 1.00 N ATOM 511 CA MET A 36 48.828 -7.258 3.325 1.00 1.00 C ATOM 512 C MET A 36 47.393 -7.307 3.840 1.00 1.00 C ATOM 513 O MET A 36 47.029 -6.578 4.763 1.00 1.00 O ATOM 514 CB MET A 36 48.852 -6.617 1.937 1.00 1.00 C ATOM 515 CG MET A 36 50.260 -6.724 1.349 1.00 1.00 C ATOM 516 SD MET A 36 51.424 -5.821 2.400 1.00 1.00 S ATOM 517 CE MET A 36 52.925 -6.681 1.869 1.00 1.00 C ATOM 0 H MET A 36 48.769 -9.309 2.881 1.00 1.00 H new ATOM 0 HA MET A 36 49.429 -6.661 4.011 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.135 -7.113 1.283 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.553 -5.571 2.003 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.556 -7.770 1.276 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.275 -6.317 0.338 1.00 1.00 H new ATOM 0 HE1 MET A 36 53.768 -6.351 2.477 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.790 -7.756 1.989 1.00 1.00 H new ATOM 0 HE3 MET A 36 53.123 -6.455 0.821 1.00 1.00 H new ATOM 527 N LEU A 37 46.583 -8.172 3.237 1.00 1.00 N ATOM 528 CA LEU A 37 45.190 -8.308 3.644 1.00 1.00 C ATOM 529 C LEU A 37 45.095 -8.966 5.016 1.00 1.00 C ATOM 530 O LEU A 37 44.004 -9.298 5.483 1.00 1.00 O ATOM 531 CB LEU A 37 44.426 -9.149 2.619 1.00 1.00 C ATOM 532 CG LEU A 37 44.370 -8.403 1.285 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.340 -9.411 0.136 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.106 -7.540 1.239 1.00 1.00 C ATOM 0 H LEU A 37 46.865 -8.784 2.471 1.00 1.00 H new ATOM 0 HA LEU A 37 44.748 -7.313 3.699 1.00 1.00 H new ATOM 0 HB2 LEU A 37 44.916 -10.114 2.488 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.417 -9.350 2.978 1.00 1.00 H new ATOM 0 HG LEU A 37 45.250 -7.768 1.186 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.300 -8.878 -0.814 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.238 -10.027 0.169 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.460 -10.047 0.233 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.064 -7.007 0.289 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.227 -8.177 1.337 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.126 -6.821 2.058 1.00 1.00 H new ATOM 546 N VAL A 38 46.243 -9.150 5.659 1.00 1.00 N ATOM 547 CA VAL A 38 46.279 -9.770 6.978 1.00 1.00 C ATOM 548 C VAL A 38 47.263 -9.041 7.887 1.00 1.00 C ATOM 549 O VAL A 38 46.907 -8.613 8.985 1.00 1.00 O ATOM 550 CB VAL A 38 46.687 -11.239 6.855 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.322 -11.980 8.142 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.949 -11.874 5.674 1.00 1.00 C ATOM 0 H VAL A 38 47.155 -8.881 5.291 1.00 1.00 H new ATOM 0 HA VAL A 38 45.283 -9.706 7.415 1.00 1.00 H new ATOM 0 HB VAL A 38 47.763 -11.305 6.691 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.613 -13.027 8.054 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.846 -11.527 8.984 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.247 -11.915 8.307 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.238 -12.921 5.585 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.874 -11.808 5.839 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.209 -11.346 4.756 1.00 1.00 H new ATOM 562 N PHE A 39 48.499 -8.904 7.421 1.00 1.00 N ATOM 563 CA PHE A 39 49.527 -8.223 8.201 1.00 1.00 C ATOM 564 C PHE A 39 48.950 -6.977 8.867 1.00 1.00 C ATOM 565 O PHE A 39 48.809 -6.926 10.089 1.00 1.00 O ATOM 566 CB PHE A 39 50.695 -7.835 7.293 1.00 1.00 C ATOM 567 CG PHE A 39 51.994 -8.269 7.928 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.366 -9.618 7.908 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.828 -7.322 8.535 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.571 -10.021 8.496 1.00 1.00 C ATOM 571 CE2 PHE A 39 54.034 -7.725 9.122 1.00 1.00 C ATOM 572 CZ PHE A 39 54.405 -9.075 9.102 1.00 1.00 C ATOM 0 H PHE A 39 48.813 -9.252 6.515 1.00 1.00 H new ATOM 0 HA PHE A 39 49.885 -8.900 8.977 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.581 -8.305 6.316 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.700 -6.757 7.130 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.723 -10.348 7.439 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.541 -6.281 8.550 1.00 1.00 H new ATOM 0 HE1 PHE A 39 53.857 -11.062 8.482 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.678 -6.995 9.590 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.335 -9.386 9.554 1.00 1.00 H new ATOM 582 N LEU A 40 48.609 -5.979 8.057 1.00 1.00 N ATOM 583 CA LEU A 40 48.038 -4.745 8.583 1.00 1.00 C ATOM 584 C LEU A 40 46.528 -4.895 8.747 1.00 1.00 C ATOM 585 O LEU A 40 45.747 -4.212 8.084 1.00 1.00 O ATOM 586 CB LEU A 40 48.342 -3.578 7.636 1.00 1.00 C ATOM 587 CG LEU A 40 49.717 -2.989 7.960 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.797 -4.047 7.735 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.984 -1.790 7.047 1.00 1.00 C ATOM 0 H LEU A 40 48.717 -6.000 7.043 1.00 1.00 H new ATOM 0 HA LEU A 40 48.484 -4.540 9.556 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.318 -3.922 6.602 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.575 -2.810 7.734 1.00 1.00 H new ATOM 0 HG LEU A 40 49.736 -2.669 9.002 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.775 -3.624 7.967 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.609 -4.903 8.384 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.779 -4.370 6.694 1.00 1.00 H new ATOM 0 HD21 LEU A 40 50.963 -1.369 7.276 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.963 -2.113 6.006 1.00 1.00 H new ATOM 0 HD23 LEU A 40 49.217 -1.033 7.207 1.00 1.00 H new ATOM 601 N LEU A 41 46.124 -5.799 9.633 1.00 1.00 N ATOM 602 CA LEU A 41 44.705 -6.036 9.873 1.00 1.00 C ATOM 603 C LEU A 41 44.511 -6.814 11.172 1.00 1.00 C ATOM 604 O LEU A 41 43.585 -6.544 11.937 1.00 1.00 O ATOM 605 CB LEU A 41 44.107 -6.819 8.696 1.00 1.00 C ATOM 606 CG LEU A 41 42.650 -7.204 8.988 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.844 -5.958 9.359 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.040 -7.843 7.738 1.00 1.00 C ATOM 0 H LEU A 41 46.753 -6.375 10.193 1.00 1.00 H new ATOM 0 HA LEU A 41 44.195 -5.077 9.963 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.155 -6.216 7.789 1.00 1.00 H new ATOM 0 HB3 LEU A 41 44.697 -7.717 8.513 1.00 1.00 H new ATOM 0 HG LEU A 41 42.624 -7.909 9.819 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.811 -6.240 9.565 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.277 -5.495 10.246 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.868 -5.249 8.531 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.005 -8.119 7.939 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.072 -7.131 6.913 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.608 -8.734 7.471 1.00 1.00 H new ATOM 620 N GLY A 42 45.391 -7.780 11.415 1.00 1.00 N ATOM 621 CA GLY A 42 45.306 -8.590 12.625 1.00 1.00 C ATOM 622 C GLY A 42 46.193 -8.021 13.726 1.00 1.00 C ATOM 623 O GLY A 42 46.519 -8.712 14.692 1.00 1.00 O ATOM 0 H GLY A 42 46.165 -8.020 10.796 1.00 1.00 H new ATOM 0 HA2 GLY A 42 44.273 -8.629 12.969 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.607 -9.614 12.403 1.00 1.00 H new ATOM 627 N THR A 43 46.581 -6.759 13.576 1.00 1.00 N ATOM 628 CA THR A 43 47.433 -6.109 14.568 1.00 1.00 C ATOM 629 C THR A 43 47.591 -4.625 14.252 1.00 1.00 C ATOM 630 O THR A 43 47.365 -3.772 15.110 1.00 1.00 O ATOM 631 CB THR A 43 48.809 -6.779 14.596 1.00 1.00 C ATOM 632 OG1 THR A 43 49.625 -6.136 15.564 1.00 1.00 O ATOM 633 CG2 THR A 43 49.465 -6.668 13.219 1.00 1.00 C ATOM 0 H THR A 43 46.322 -6.169 12.785 1.00 1.00 H new ATOM 0 HA THR A 43 46.961 -6.210 15.545 1.00 1.00 H new ATOM 0 HB THR A 43 48.695 -7.832 14.855 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.421 -5.766 15.127 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.444 -7.146 13.243 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.838 -7.162 12.476 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.581 -5.617 12.955 1.00 1.00 H new ATOM 641 N THR A 44 47.980 -4.324 13.018 1.00 1.00 N ATOM 642 CA THR A 44 48.165 -2.938 12.603 1.00 1.00 C ATOM 643 C THR A 44 48.879 -2.144 13.693 1.00 1.00 C ATOM 644 O THR A 44 48.799 -0.917 13.733 1.00 1.00 O ATOM 645 CB THR A 44 46.809 -2.295 12.308 1.00 1.00 C ATOM 646 OG1 THR A 44 46.392 -1.535 13.433 1.00 1.00 O ATOM 647 CG2 THR A 44 45.778 -3.386 12.015 1.00 1.00 C ATOM 0 H THR A 44 48.172 -5.015 12.293 1.00 1.00 H new ATOM 0 HA THR A 44 48.776 -2.927 11.700 1.00 1.00 H new ATOM 0 HB THR A 44 46.898 -1.641 11.441 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.038 -0.817 13.601 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.812 -2.927 11.805 1.00 1.00 H new ATOM 0 HG22 THR A 44 46.099 -3.967 11.151 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.687 -4.043 12.880 1.00 1.00 H new ATOM 655 N GLY A 45 49.576 -2.854 14.574 1.00 1.00 N ATOM 656 CA GLY A 45 50.301 -2.206 15.662 1.00 1.00 C ATOM 657 C GLY A 45 49.558 -2.368 16.984 1.00 1.00 C ATOM 658 O GLY A 45 50.174 -2.461 18.046 1.00 1.00 O ATOM 0 H GLY A 45 49.654 -3.871 14.557 1.00 1.00 H new ATOM 0 HA2 GLY A 45 51.299 -2.636 15.746 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.428 -1.147 15.439 1.00 1.00 H new ATOM 662 N ASN A 46 48.231 -2.400 16.912 1.00 1.00 N ATOM 663 CA ASN A 46 47.415 -2.550 18.111 1.00 1.00 C ATOM 664 C ASN A 46 47.631 -3.924 18.737 1.00 1.00 C ATOM 665 O ASN A 46 47.128 -4.207 19.824 1.00 1.00 O ATOM 666 CB ASN A 46 45.936 -2.373 17.762 1.00 1.00 C ATOM 667 CG ASN A 46 45.426 -3.599 17.013 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.328 -4.740 17.638 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 45.109 -3.515 15.827 1.00 1.00 N flip ATOM 0 H ASN A 46 47.702 -2.325 16.043 1.00 1.00 H new ATOM 0 HA ASN A 46 47.713 -1.785 18.828 1.00 1.00 H new ATOM 0 HB2 ASN A 46 45.354 -2.225 18.672 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.803 -1.481 17.150 1.00 1.00 H new ATOM 0 HD21 ASN A 46 45.186 -2.622 15.340 1.00 1.00 H new ATOM 0 HD22 ASN A 46 44.769 -4.338 15.330 1.00 1.00 H new ATOM 676 N GLY A 47 48.382 -4.773 18.044 1.00 1.00 N ATOM 677 CA GLY A 47 48.659 -6.115 18.542 1.00 1.00 C ATOM 678 C GLY A 47 49.918 -6.130 19.402 1.00 1.00 C ATOM 679 O GLY A 47 50.175 -7.089 20.128 1.00 1.00 O ATOM 0 H GLY A 47 48.807 -4.558 17.142 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.811 -6.472 19.126 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.779 -6.800 17.703 1.00 1.00 H new ATOM 683 N LEU A 48 50.700 -5.057 19.316 1.00 1.00 N ATOM 684 CA LEU A 48 51.930 -4.959 20.093 1.00 1.00 C ATOM 685 C LEU A 48 52.252 -3.501 20.406 1.00 1.00 C ATOM 686 O LEU A 48 53.393 -3.061 20.255 1.00 1.00 O ATOM 687 CB LEU A 48 53.089 -5.586 19.316 1.00 1.00 C ATOM 688 CG LEU A 48 53.033 -5.128 17.858 1.00 1.00 C ATOM 689 CD1 LEU A 48 54.442 -4.771 17.380 1.00 1.00 C ATOM 690 CD2 LEU A 48 52.473 -6.258 16.991 1.00 1.00 C ATOM 0 H LEU A 48 50.506 -4.251 18.722 1.00 1.00 H new ATOM 0 HA LEU A 48 51.789 -5.496 21.031 1.00 1.00 H new ATOM 0 HB2 LEU A 48 54.040 -5.296 19.763 1.00 1.00 H new ATOM 0 HB3 LEU A 48 53.030 -6.673 19.369 1.00 1.00 H new ATOM 0 HG LEU A 48 52.389 -4.252 17.777 1.00 1.00 H new ATOM 0 HD11 LEU A 48 54.402 -4.445 16.341 1.00 1.00 H new ATOM 0 HD12 LEU A 48 54.843 -3.967 17.998 1.00 1.00 H new ATOM 0 HD13 LEU A 48 55.086 -5.646 17.461 1.00 1.00 H new ATOM 0 HD21 LEU A 48 52.432 -5.933 15.951 1.00 1.00 H new ATOM 0 HD22 LEU A 48 53.118 -7.133 17.073 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.469 -6.514 17.331 1.00 1.00 H new ATOM 702 N VAL A 49 51.240 -2.758 20.843 1.00 1.00 N ATOM 703 CA VAL A 49 51.423 -1.349 21.177 1.00 1.00 C ATOM 704 C VAL A 49 50.757 -1.028 22.510 1.00 1.00 C ATOM 705 O VAL A 49 51.425 -0.671 23.480 1.00 1.00 O ATOM 706 CB VAL A 49 50.820 -0.469 20.081 1.00 1.00 C ATOM 707 CG1 VAL A 49 50.703 0.969 20.590 1.00 1.00 C ATOM 708 CG2 VAL A 49 51.724 -0.499 18.848 1.00 1.00 C ATOM 0 H VAL A 49 50.290 -3.105 20.974 1.00 1.00 H new ATOM 0 HA VAL A 49 52.491 -1.149 21.256 1.00 1.00 H new ATOM 0 HB VAL A 49 49.831 -0.844 19.817 1.00 1.00 H new ATOM 0 HG11 VAL A 49 50.273 1.597 19.810 1.00 1.00 H new ATOM 0 HG12 VAL A 49 50.060 0.992 21.470 1.00 1.00 H new ATOM 0 HG13 VAL A 49 51.692 1.343 20.854 1.00 1.00 H new ATOM 0 HG21 VAL A 49 51.295 0.128 18.067 1.00 1.00 H new ATOM 0 HG22 VAL A 49 52.713 -0.123 19.112 1.00 1.00 H new ATOM 0 HG23 VAL A 49 51.810 -1.523 18.485 1.00 1.00 H new ATOM 718 N LEU A 50 49.436 -1.157 22.549 1.00 1.00 N ATOM 719 CA LEU A 50 48.686 -0.878 23.767 1.00 1.00 C ATOM 720 C LEU A 50 49.195 -1.738 24.919 1.00 1.00 C ATOM 721 O LEU A 50 48.758 -1.588 26.060 1.00 1.00 O ATOM 722 CB LEU A 50 47.198 -1.155 23.537 1.00 1.00 C ATOM 723 CG LEU A 50 46.985 -2.652 23.308 1.00 1.00 C ATOM 724 CD1 LEU A 50 46.372 -3.279 24.562 1.00 1.00 C ATOM 725 CD2 LEU A 50 46.039 -2.855 22.123 1.00 1.00 C ATOM 0 H LEU A 50 48.865 -1.451 21.756 1.00 1.00 H new ATOM 0 HA LEU A 50 48.825 0.172 24.026 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.618 -0.822 24.398 1.00 1.00 H new ATOM 0 HB3 LEU A 50 46.841 -0.591 22.675 1.00 1.00 H new ATOM 0 HG LEU A 50 47.943 -3.127 23.096 1.00 1.00 H new ATOM 0 HD11 LEU A 50 46.220 -4.346 24.398 1.00 1.00 H new ATOM 0 HD12 LEU A 50 47.044 -3.134 25.407 1.00 1.00 H new ATOM 0 HD13 LEU A 50 45.414 -2.805 24.775 1.00 1.00 H new ATOM 0 HD21 LEU A 50 45.886 -3.922 21.958 1.00 1.00 H new ATOM 0 HD22 LEU A 50 45.082 -2.380 22.336 1.00 1.00 H new ATOM 0 HD23 LEU A 50 46.475 -2.409 21.229 1.00 1.00 H new ATOM 737 N TRP A 51 50.124 -2.638 24.612 1.00 1.00 N ATOM 738 CA TRP A 51 50.688 -3.517 25.630 1.00 1.00 C ATOM 739 C TRP A 51 51.464 -2.709 26.663 1.00 1.00 C ATOM 740 O TRP A 51 52.038 -3.269 27.598 1.00 1.00 O ATOM 741 CB TRP A 51 51.618 -4.541 24.977 1.00 1.00 C ATOM 742 CG TRP A 51 50.910 -5.851 24.849 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.981 -6.144 23.910 1.00 1.00 C ATOM 744 CD2 TRP A 51 51.055 -7.047 25.668 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.548 -7.444 24.100 1.00 1.00 N ATOM 746 CE2 TRP A 51 50.180 -8.042 25.171 1.00 1.00 C ATOM 747 CE3 TRP A 51 51.853 -7.363 26.783 1.00 1.00 C ATOM 748 CZ2 TRP A 51 50.099 -9.306 25.759 1.00 1.00 C ATOM 749 CZ3 TRP A 51 51.775 -8.633 27.376 1.00 1.00 C ATOM 750 CH2 TRP A 51 50.899 -9.602 26.866 1.00 1.00 C ATOM 0 H TRP A 51 50.500 -2.777 23.674 1.00 1.00 H new ATOM 0 HA TRP A 51 49.870 -4.036 26.130 1.00 1.00 H new ATOM 0 HB2 TRP A 51 51.932 -4.188 23.995 1.00 1.00 H new ATOM 0 HB3 TRP A 51 52.521 -4.661 25.576 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.634 -5.473 23.138 1.00 1.00 H new ATOM 0 HE1 TRP A 51 48.847 -7.904 23.519 1.00 1.00 H new ATOM 0 HE3 TRP A 51 52.530 -6.624 27.185 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 49.423 -10.049 25.361 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 52.394 -8.865 28.230 1.00 1.00 H new ATOM 0 HH2 TRP A 51 50.843 -10.576 27.328 1.00 1.00 H new ATOM 761 N THR A 52 51.477 -1.390 26.486 1.00 1.00 N ATOM 762 CA THR A 52 52.184 -0.504 27.405 1.00 1.00 C ATOM 763 C THR A 52 51.221 0.509 28.016 1.00 1.00 C ATOM 764 O THR A 52 51.630 1.590 28.439 1.00 1.00 O ATOM 765 CB THR A 52 53.300 0.233 26.662 1.00 1.00 C ATOM 766 OG1 THR A 52 54.134 0.897 27.603 1.00 1.00 O ATOM 767 CG2 THR A 52 52.690 1.258 25.705 1.00 1.00 C ATOM 0 H THR A 52 51.007 -0.913 25.717 1.00 1.00 H new ATOM 0 HA THR A 52 52.616 -1.106 28.204 1.00 1.00 H new ATOM 0 HB THR A 52 53.892 -0.483 26.092 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.578 1.387 28.244 1.00 1.00 H new ATOM 0 HG21 THR A 52 53.487 1.782 25.177 1.00 1.00 H new ATOM 0 HG22 THR A 52 52.051 0.748 24.984 1.00 1.00 H new ATOM 0 HG23 THR A 52 52.097 1.976 26.271 1.00 1.00 H new ATOM 775 N VAL A 53 49.943 0.150 28.058 1.00 1.00 N ATOM 776 CA VAL A 53 48.927 1.034 28.620 1.00 1.00 C ATOM 777 C VAL A 53 47.753 0.223 29.162 1.00 1.00 C ATOM 778 O VAL A 53 47.249 0.495 30.251 1.00 1.00 O ATOM 779 CB VAL A 53 48.424 2.004 27.549 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.271 2.835 28.116 1.00 1.00 C ATOM 781 CG2 VAL A 53 49.560 2.938 27.123 1.00 1.00 C ATOM 0 H VAL A 53 49.587 -0.741 27.712 1.00 1.00 H new ATOM 0 HA VAL A 53 49.377 1.597 29.438 1.00 1.00 H new ATOM 0 HB VAL A 53 48.078 1.438 26.684 1.00 1.00 H new ATOM 0 HG11 VAL A 53 46.912 3.527 27.354 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.459 2.173 28.417 1.00 1.00 H new ATOM 0 HG13 VAL A 53 47.620 3.398 28.982 1.00 1.00 H new ATOM 0 HG21 VAL A 53 49.198 3.627 26.360 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.909 3.504 27.987 1.00 1.00 H new ATOM 0 HG23 VAL A 53 50.383 2.349 26.718 1.00 1.00 H new ATOM 791 N PHE A 54 47.321 -0.771 28.391 1.00 1.00 N ATOM 792 CA PHE A 54 46.203 -1.615 28.801 1.00 1.00 C ATOM 793 C PHE A 54 46.703 -2.973 29.284 1.00 1.00 C ATOM 794 O PHE A 54 45.925 -3.915 29.433 1.00 1.00 O ATOM 795 CB PHE A 54 45.241 -1.811 27.628 1.00 1.00 C ATOM 796 CG PHE A 54 44.063 -0.879 27.782 1.00 1.00 C ATOM 797 CD1 PHE A 54 42.989 -1.239 28.605 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.044 0.344 27.102 1.00 1.00 C ATOM 799 CE1 PHE A 54 41.896 -0.376 28.749 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.952 1.209 27.245 1.00 1.00 C ATOM 801 CZ PHE A 54 41.878 0.848 28.068 1.00 1.00 C ATOM 0 H PHE A 54 47.725 -1.011 27.485 1.00 1.00 H new ATOM 0 HA PHE A 54 45.682 -1.121 29.621 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.754 -1.614 26.687 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.898 -2.845 27.594 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.004 -2.183 29.129 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.872 0.621 26.466 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.068 -0.654 29.384 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.938 2.153 26.721 1.00 1.00 H new ATOM 0 HZ PHE A 54 41.035 1.514 28.178 1.00 1.00 H new ATOM 811 N ARG A 55 48.007 -3.064 29.528 1.00 1.00 N ATOM 812 CA ARG A 55 48.605 -4.310 29.994 1.00 1.00 C ATOM 813 C ARG A 55 49.566 -4.042 31.146 1.00 1.00 C ATOM 814 O ARG A 55 49.686 -4.848 32.069 1.00 1.00 O ATOM 815 CB ARG A 55 49.356 -4.989 28.848 1.00 1.00 C ATOM 816 CG ARG A 55 49.780 -6.396 29.276 1.00 1.00 C ATOM 817 CD ARG A 55 48.960 -7.432 28.505 1.00 1.00 C ATOM 818 NE ARG A 55 49.354 -8.780 28.895 1.00 1.00 N ATOM 819 CZ ARG A 55 48.549 -9.818 28.692 1.00 1.00 C ATOM 820 NH1 ARG A 55 47.383 -9.640 28.135 1.00 1.00 N ATOM 821 NH2 ARG A 55 48.925 -11.016 29.050 1.00 1.00 N ATOM 0 H ARG A 55 48.666 -2.294 29.412 1.00 1.00 H new ATOM 0 HA ARG A 55 47.808 -4.966 30.344 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.720 -5.043 27.964 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.232 -4.401 28.575 1.00 1.00 H new ATOM 0 HG2 ARG A 55 50.843 -6.541 29.084 1.00 1.00 H new ATOM 0 HG3 ARG A 55 49.630 -6.522 30.348 1.00 1.00 H new ATOM 0 HD2 ARG A 55 47.898 -7.285 28.702 1.00 1.00 H new ATOM 0 HD3 ARG A 55 49.107 -7.298 27.433 1.00 1.00 H new ATOM 0 HE ARG A 55 50.264 -8.929 29.331 1.00 1.00 H new ATOM 0 HH11 ARG A 55 47.089 -8.704 27.855 1.00 1.00 H new ATOM 0 HH12 ARG A 55 46.765 -10.437 27.979 1.00 1.00 H new ATOM 0 HH21 ARG A 55 49.837 -11.156 29.486 1.00 1.00 H new ATOM 0 HH22 ARG A 55 48.307 -11.812 28.894 1.00 1.00 H new ATOM 835 N LYS A 56 50.250 -2.906 31.085 1.00 1.00 N ATOM 836 CA LYS A 56 51.200 -2.539 32.128 1.00 1.00 C ATOM 837 C LYS A 56 50.491 -2.384 33.469 1.00 1.00 C ATOM 838 O LYS A 56 51.108 -2.505 34.527 1.00 1.00 O ATOM 839 CB LYS A 56 51.893 -1.226 31.760 1.00 1.00 C ATOM 840 CG LYS A 56 50.841 -0.129 31.586 1.00 1.00 C ATOM 841 CD LYS A 56 51.058 0.959 32.639 1.00 1.00 C ATOM 842 CE LYS A 56 52.372 1.688 32.354 1.00 1.00 C ATOM 843 NZ LYS A 56 53.232 1.655 33.570 1.00 1.00 N ATOM 0 H LYS A 56 50.166 -2.226 30.329 1.00 1.00 H new ATOM 0 HA LYS A 56 51.943 -3.332 32.214 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.602 -0.945 32.539 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.463 -1.348 30.839 1.00 1.00 H new ATOM 0 HG2 LYS A 56 50.909 0.299 30.586 1.00 1.00 H new ATOM 0 HG3 LYS A 56 49.841 -0.551 31.685 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.227 1.665 32.625 1.00 1.00 H new ATOM 0 HD3 LYS A 56 51.083 0.517 33.635 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.888 1.216 31.518 1.00 1.00 H new ATOM 0 HE3 LYS A 56 52.173 2.720 32.064 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 54.126 2.151 33.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 52.739 2.124 34.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 53.432 0.667 33.827 1.00 1.00 H new ATOM 857 N LYS A 57 49.190 -2.117 33.417 1.00 1.00 N ATOM 858 CA LYS A 57 48.404 -1.947 34.633 1.00 1.00 C ATOM 859 C LYS A 57 47.591 -3.205 34.926 1.00 1.00 C ATOM 860 O LYS A 57 46.690 -3.190 35.764 1.00 1.00 O ATOM 861 CB LYS A 57 47.462 -0.751 34.482 1.00 1.00 C ATOM 862 CG LYS A 57 46.559 -0.963 33.265 1.00 1.00 C ATOM 863 CD LYS A 57 45.108 -1.106 33.725 1.00 1.00 C ATOM 864 CE LYS A 57 44.618 0.226 34.297 1.00 1.00 C ATOM 865 NZ LYS A 57 43.530 0.767 33.434 1.00 1.00 N ATOM 0 H LYS A 57 48.661 -2.014 32.551 1.00 1.00 H new ATOM 0 HA LYS A 57 49.087 -1.769 35.464 1.00 1.00 H new ATOM 0 HB2 LYS A 57 46.857 -0.635 35.381 1.00 1.00 H new ATOM 0 HB3 LYS A 57 48.038 0.167 34.365 1.00 1.00 H new ATOM 0 HG2 LYS A 57 46.653 -0.122 32.578 1.00 1.00 H new ATOM 0 HG3 LYS A 57 46.868 -1.855 32.720 1.00 1.00 H new ATOM 0 HD2 LYS A 57 44.478 -1.408 32.888 1.00 1.00 H new ATOM 0 HD3 LYS A 57 45.031 -1.888 34.480 1.00 1.00 H new ATOM 0 HE2 LYS A 57 44.254 0.085 35.315 1.00 1.00 H new ATOM 0 HE3 LYS A 57 45.443 0.937 34.349 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 43.197 1.672 33.822 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 43.893 0.916 32.471 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 42.740 0.091 33.406 1.00 1.00 H new ATOM 879 N GLY A 58 47.918 -4.289 34.231 1.00 1.00 N ATOM 880 CA GLY A 58 47.211 -5.549 34.425 1.00 1.00 C ATOM 881 C GLY A 58 48.185 -6.722 34.443 1.00 1.00 C ATOM 882 O GLY A 58 48.236 -7.483 35.410 1.00 1.00 O ATOM 0 H GLY A 58 48.662 -4.321 33.534 1.00 1.00 H new ATOM 0 HA2 GLY A 58 46.655 -5.518 35.362 1.00 1.00 H new ATOM 0 HA3 GLY A 58 46.482 -5.688 33.627 1.00 1.00 H new ATOM 886 N HIS A 59 48.957 -6.861 33.372 1.00 1.00 N ATOM 887 CA HIS A 59 49.929 -7.944 33.277 1.00 1.00 C ATOM 888 C HIS A 59 49.252 -9.293 33.506 1.00 1.00 C ATOM 889 O HIS A 59 49.838 -10.196 34.102 1.00 1.00 O ATOM 890 CB HIS A 59 51.037 -7.745 34.313 1.00 1.00 C ATOM 891 CG HIS A 59 51.953 -6.642 33.861 1.00 1.00 C ATOM 892 ND1 HIS A 59 52.352 -5.619 34.707 1.00 1.00 N ATOM 893 CD2 HIS A 59 52.559 -6.386 32.656 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.161 -4.803 34.007 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.321 -5.225 32.750 1.00 1.00 N ATOM 0 H HIS A 59 48.930 -6.242 32.562 1.00 1.00 H new ATOM 0 HA HIS A 59 50.361 -7.932 32.277 1.00 1.00 H new ATOM 0 HB2 HIS A 59 50.603 -7.498 35.282 1.00 1.00 H new ATOM 0 HB3 HIS A 59 51.600 -8.670 34.442 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.459 -6.994 31.769 1.00 1.00 H new ATOM 0 HE1 HIS A 59 53.624 -3.915 34.412 1.00 1.00 H new ATOM 0 HE2 HIS A 59 53.881 -4.790 32.017 1.00 1.00 H new ATOM 903 N HIS A 60 48.018 -9.418 33.025 1.00 1.00 N ATOM 904 CA HIS A 60 47.265 -10.658 33.176 1.00 1.00 C ATOM 905 C HIS A 60 47.514 -11.286 34.544 1.00 1.00 C ATOM 906 O HIS A 60 48.476 -12.031 34.731 1.00 1.00 O ATOM 907 CB HIS A 60 47.661 -11.640 32.074 1.00 1.00 C ATOM 908 CG HIS A 60 49.130 -11.950 32.180 1.00 1.00 C ATOM 909 ND1 HIS A 60 50.241 -11.301 31.699 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 49.604 -13.064 32.854 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 51.387 -12.000 32.068 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 50.947 -13.054 32.761 1.00 1.00 N flip ATOM 0 H HIS A 60 47.520 -8.678 32.529 1.00 1.00 H new ATOM 0 HA HIS A 60 46.203 -10.427 33.095 1.00 1.00 H new ATOM 0 HB2 HIS A 60 47.078 -12.557 32.163 1.00 1.00 H new ATOM 0 HB3 HIS A 60 47.438 -11.214 31.096 1.00 1.00 H new ATOM 0 HD2 HIS A 60 49.005 -13.806 33.362 1.00 1.00 H new ATOM 0 HE1 HIS A 60 52.412 -11.745 31.842 1.00 1.00 H new ATOM 0 HE2 HIS A 60 51.554 -13.764 33.170 1.00 1.00 H new ATOM 920 N HIS A 61 46.640 -10.980 35.498 1.00 1.00 N ATOM 921 CA HIS A 61 46.773 -11.519 36.846 1.00 1.00 C ATOM 922 C HIS A 61 48.218 -11.415 37.325 1.00 1.00 C ATOM 923 O HIS A 61 48.938 -12.413 37.379 1.00 1.00 O ATOM 924 CB HIS A 61 46.330 -12.983 36.869 1.00 1.00 C ATOM 925 CG HIS A 61 44.828 -13.051 36.919 1.00 1.00 C ATOM 926 ND1 HIS A 61 44.156 -13.964 37.716 1.00 1.00 N ATOM 927 CD2 HIS A 61 43.855 -12.326 36.278 1.00 1.00 C ATOM 928 CE1 HIS A 61 42.838 -13.766 37.537 1.00 1.00 C ATOM 929 NE2 HIS A 61 42.599 -12.778 36.669 1.00 1.00 N ATOM 0 H HIS A 61 45.837 -10.365 35.364 1.00 1.00 H new ATOM 0 HA HIS A 61 46.138 -10.937 37.514 1.00 1.00 H new ATOM 0 HB2 HIS A 61 46.699 -13.500 35.983 1.00 1.00 H new ATOM 0 HB3 HIS A 61 46.757 -13.490 37.735 1.00 1.00 H new ATOM 0 HD2 HIS A 61 44.037 -11.526 35.576 1.00 1.00 H new ATOM 0 HE1 HIS A 61 42.067 -14.336 38.034 1.00 1.00 H new ATOM 0 HE2 HIS A 61 41.691 -12.430 36.360 1.00 1.00 H new ATOM 937 N HIS A 62 48.636 -10.202 37.671 1.00 1.00 N ATOM 938 CA HIS A 62 49.997 -9.979 38.145 1.00 1.00 C ATOM 939 C HIS A 62 50.259 -10.781 39.415 1.00 1.00 C ATOM 940 O HIS A 62 51.097 -11.683 39.429 1.00 1.00 O ATOM 941 CB HIS A 62 50.215 -8.491 38.424 1.00 1.00 C ATOM 942 CG HIS A 62 51.623 -8.113 38.054 1.00 1.00 C ATOM 943 ND1 HIS A 62 52.680 -9.004 38.158 1.00 1.00 N ATOM 944 CD2 HIS A 62 52.164 -6.943 37.579 1.00 1.00 C ATOM 945 CE1 HIS A 62 53.792 -8.362 37.755 1.00 1.00 C ATOM 946 NE2 HIS A 62 53.534 -7.103 37.391 1.00 1.00 N ATOM 0 H HIS A 62 48.056 -9.363 37.633 1.00 1.00 H new ATOM 0 HA HIS A 62 50.691 -10.308 37.371 1.00 1.00 H new ATOM 0 HB2 HIS A 62 49.505 -7.895 37.851 1.00 1.00 H new ATOM 0 HB3 HIS A 62 50.034 -8.277 39.477 1.00 1.00 H new ATOM 0 HD2 HIS A 62 51.611 -6.037 37.381 1.00 1.00 H new ATOM 0 HE1 HIS A 62 54.774 -8.810 37.729 1.00 1.00 H new ATOM 0 HE2 HIS A 62 54.198 -6.408 37.049 1.00 1.00 H new ATOM 954 N HIS A 63 49.539 -10.445 40.480 1.00 1.00 N ATOM 955 CA HIS A 63 49.703 -11.141 41.751 1.00 1.00 C ATOM 956 C HIS A 63 48.375 -11.213 42.498 1.00 1.00 C ATOM 957 O HIS A 63 48.013 -10.293 43.231 1.00 1.00 O ATOM 958 CB HIS A 63 50.738 -10.417 42.615 1.00 1.00 C ATOM 959 CG HIS A 63 50.766 -11.033 43.986 1.00 1.00 C ATOM 960 ND1 HIS A 63 50.376 -12.267 44.446 1.00 1.00 N flip ATOM 961 CD2 HIS A 63 51.248 -10.353 45.094 1.00 1.00 C flip ATOM 962 CE1 HIS A 63 50.611 -12.353 45.815 1.00 1.00 C flip ATOM 963 NE2 HIS A 63 51.137 -11.173 46.155 1.00 1.00 N flip ATOM 0 H HIS A 63 48.841 -9.701 40.489 1.00 1.00 H new ATOM 0 HA HIS A 63 50.047 -12.155 41.546 1.00 1.00 H new ATOM 0 HB2 HIS A 63 51.723 -10.485 42.154 1.00 1.00 H new ATOM 0 HB3 HIS A 63 50.491 -9.358 42.686 1.00 1.00 H new ATOM 0 HD2 HIS A 63 51.641 -9.347 45.104 1.00 1.00 H new ATOM 0 HE1 HIS A 63 50.411 -13.193 46.463 1.00 1.00 H new ATOM 0 HE2 HIS A 63 51.420 -10.924 47.103 1.00 1.00 H new ATOM 971 N HIS A 64 47.653 -12.312 42.307 1.00 1.00 N ATOM 972 CA HIS A 64 46.366 -12.494 42.969 1.00 1.00 C ATOM 973 C HIS A 64 46.474 -12.158 44.453 1.00 1.00 C ATOM 974 O HIS A 64 45.723 -11.308 44.905 1.00 1.00 O ATOM 975 CB HIS A 64 45.892 -13.939 42.804 1.00 1.00 C ATOM 976 CG HIS A 64 45.481 -14.488 44.142 1.00 1.00 C ATOM 977 ND1 HIS A 64 44.434 -13.948 44.873 1.00 1.00 N ATOM 978 CD2 HIS A 64 45.967 -15.529 44.896 1.00 1.00 C ATOM 979 CE1 HIS A 64 44.324 -14.660 46.010 1.00 1.00 C ATOM 980 NE2 HIS A 64 45.234 -15.635 46.075 1.00 1.00 N ATOM 981 OXT HIS A 64 47.305 -12.755 45.116 1.00 1.00 O ATOM 0 H HIS A 64 47.934 -13.085 41.704 1.00 1.00 H new ATOM 0 HA HIS A 64 45.644 -11.821 42.507 1.00 1.00 H new ATOM 0 HB2 HIS A 64 45.053 -13.981 42.109 1.00 1.00 H new ATOM 0 HB3 HIS A 64 46.689 -14.548 42.378 1.00 1.00 H new ATOM 0 HD2 HIS A 64 46.792 -16.168 44.617 1.00 1.00 H new ATOM 0 HE1 HIS A 64 43.589 -14.466 46.777 1.00 1.00 H new ATOM 0 HE2 HIS A 64 45.364 -16.312 46.827 1.00 1.00 H new TER 989 HIS A 64