USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 719 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 26 THR OG1 : rot 110:sc= 0.0683 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= -0.383 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.675 K(o=0.67,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.5) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 82:sc= 0.851 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00385 X(o=-0.0039,f=-0.24) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.145) USER MOD Single : A 23 ASN : amide:sc= -0.324 K(o=-0.32,f=-8.8!) USER MOD Single : A 24 TYR OH : rot 41:sc= 0.945 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -22:sc= 0.0509 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.674 K(o=0.67,f=-9.3!) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0394) USER MOD Single : A 50 SER OG : rot -81:sc= 0.383 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.628 K(o=0.63,f=-8.7!) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 1.02 (180deg=1.01) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 43:sc= 0.32 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.53 K(o=-1.5,f=-5!) USER MOD Single : A 78 TYR OH : rot 126:sc= 0.495 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.099 K(o=0.099,f=-4.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 30:sc= -1.51 USER MOD Single : A 91 SER OG : rot 146:sc= 1.68 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 97 TYR OH : rot 180:sc=-0.00621 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 121:sc= 0.0677 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -0.148 K(o=-0.15,f=-0.9) USER MOD Single : A 103 TYR OH : rot -61:sc= 0.683 USER MOD Single : A 104 GLN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : A 105 THR OG1 : rot 45:sc= 0.618 USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00754 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.121 12.181 9.434 1.00 0.00 N ATOM 2 CA ALA A 1 -15.761 10.920 9.097 1.00 0.00 C ATOM 3 C ALA A 1 -15.718 10.720 7.581 1.00 0.00 C ATOM 4 O ALA A 1 -16.713 10.948 6.893 1.00 0.00 O ATOM 5 CB ALA A 1 -17.189 10.910 9.646 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.149 12.320 10.464 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.132 12.165 9.113 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.624 12.962 8.966 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.230 10.086 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.669 9.965 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.163 11.026 10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.753 11.732 9.207 1.00 0.00 H new ATOM 11 N GLN A 2 -14.557 10.296 7.104 1.00 0.00 N ATOM 12 CA GLN A 2 -14.372 10.066 5.682 1.00 0.00 C ATOM 13 C GLN A 2 -13.233 9.070 5.451 1.00 0.00 C ATOM 14 O GLN A 2 -12.195 9.145 6.104 1.00 0.00 O ATOM 15 CB GLN A 2 -14.109 11.379 4.942 1.00 0.00 C ATOM 16 CG GLN A 2 -14.395 11.233 3.447 1.00 0.00 C ATOM 17 CD GLN A 2 -13.648 12.297 2.640 1.00 0.00 C ATOM 18 OE1 GLN A 2 -14.154 13.372 2.361 1.00 0.00 O ATOM 19 NE2 GLN A 2 -12.419 11.938 2.280 1.00 0.00 N ATOM 0 H GLN A 2 -13.735 10.106 7.677 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.291 9.640 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.735 12.168 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.073 11.682 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.096 10.240 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.467 11.321 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.056 11.023 2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.839 12.578 1.737 1.00 0.00 H new ATOM 26 N VAL A 3 -13.468 8.158 4.517 1.00 0.00 N ATOM 27 CA VAL A 3 -12.413 7.274 4.052 1.00 0.00 C ATOM 28 C VAL A 3 -11.386 8.086 3.259 1.00 0.00 C ATOM 29 O VAL A 3 -11.726 9.103 2.657 1.00 0.00 O ATOM 30 CB VAL A 3 -13.014 6.120 3.247 1.00 0.00 C ATOM 31 CG1 VAL A 3 -12.051 5.656 2.152 1.00 0.00 C ATOM 32 CG2 VAL A 3 -13.406 4.959 4.162 1.00 0.00 C ATOM 0 H VAL A 3 -14.374 8.013 4.071 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.890 6.825 4.897 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.920 6.485 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.502 4.835 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.844 6.484 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.120 5.318 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.830 4.152 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.523 4.596 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.145 5.301 4.887 1.00 0.00 H new ATOM 42 N ILE A 4 -10.153 7.606 3.285 1.00 0.00 N ATOM 43 CA ILE A 4 -9.067 8.296 2.610 1.00 0.00 C ATOM 44 C ILE A 4 -8.279 7.293 1.763 1.00 0.00 C ATOM 45 O ILE A 4 -7.800 6.283 2.277 1.00 0.00 O ATOM 46 CB ILE A 4 -8.206 9.058 3.619 1.00 0.00 C ATOM 47 CG1 ILE A 4 -9.076 9.741 4.676 1.00 0.00 C ATOM 48 CG2 ILE A 4 -7.279 10.049 2.911 1.00 0.00 C ATOM 49 CD1 ILE A 4 -8.220 10.554 5.649 1.00 0.00 C ATOM 0 H ILE A 4 -9.881 6.747 3.763 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.461 9.050 1.929 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.572 8.340 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.800 10.395 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.644 8.990 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.678 10.577 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.622 9.509 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.876 10.767 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.863 11.029 6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.514 9.893 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.672 11.320 5.100 1.00 0.00 H new ATOM 60 N ASN A 5 -8.170 7.606 0.481 1.00 0.00 N ATOM 61 CA ASN A 5 -7.312 6.839 -0.406 1.00 0.00 C ATOM 62 C ASN A 5 -6.991 7.674 -1.647 1.00 0.00 C ATOM 63 O ASN A 5 -7.057 7.176 -2.770 1.00 0.00 O ATOM 64 CB ASN A 5 -8.006 5.555 -0.868 1.00 0.00 C ATOM 65 CG ASN A 5 -9.407 5.852 -1.406 1.00 0.00 C ATOM 66 OD1 ASN A 5 -10.379 5.931 -0.672 1.00 0.00 O ATOM 67 ND2 ASN A 5 -9.458 6.011 -2.726 1.00 0.00 N ATOM 0 H ASN A 5 -8.662 8.380 0.035 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.404 6.583 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.409 5.074 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.073 4.854 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.348 6.212 -3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.607 5.932 -3.282 1.00 0.00 H new ATOM 73 N THR A 6 -6.651 8.932 -1.403 1.00 0.00 N ATOM 74 CA THR A 6 -5.973 9.733 -2.407 1.00 0.00 C ATOM 75 C THR A 6 -4.488 9.873 -2.063 1.00 0.00 C ATOM 76 O THR A 6 -4.073 9.558 -0.950 1.00 0.00 O ATOM 77 CB THR A 6 -6.702 11.073 -2.515 1.00 0.00 C ATOM 78 OG1 THR A 6 -6.959 11.438 -1.162 1.00 0.00 O ATOM 79 CG2 THR A 6 -8.093 10.934 -3.135 1.00 0.00 C ATOM 0 H THR A 6 -6.833 9.416 -0.524 1.00 0.00 H new ATOM 0 HA THR A 6 -6.004 9.252 -3.385 1.00 0.00 H new ATOM 0 HB THR A 6 -6.106 11.763 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.429 12.298 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.567 11.914 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.004 10.519 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.701 10.270 -2.520 1.00 0.00 H new ATOM 87 N PHE A 7 -3.730 10.349 -3.039 1.00 0.00 N ATOM 88 CA PHE A 7 -2.298 10.518 -2.860 1.00 0.00 C ATOM 89 C PHE A 7 -2.000 11.609 -1.829 1.00 0.00 C ATOM 90 O PHE A 7 -1.283 11.370 -0.859 1.00 0.00 O ATOM 91 CB PHE A 7 -1.725 10.942 -4.214 1.00 0.00 C ATOM 92 CG PHE A 7 -1.435 9.775 -5.160 1.00 0.00 C ATOM 93 CD1 PHE A 7 -0.524 8.826 -4.811 1.00 0.00 C ATOM 94 CD2 PHE A 7 -2.087 9.686 -6.350 1.00 0.00 C ATOM 95 CE1 PHE A 7 -0.255 7.744 -5.689 1.00 0.00 C ATOM 96 CE2 PHE A 7 -1.818 8.602 -7.229 1.00 0.00 C ATOM 97 CZ PHE A 7 -0.908 7.655 -6.879 1.00 0.00 C ATOM 0 H PHE A 7 -4.080 10.623 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.855 9.588 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.427 11.622 -4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.803 11.500 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.006 8.896 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.810 10.439 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.468 6.991 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.336 8.531 -8.174 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.703 6.831 -7.546 1.00 0.00 H new ATOM 106 N ASP A 8 -2.564 12.782 -2.076 1.00 0.00 N ATOM 107 CA ASP A 8 -2.246 13.948 -1.271 1.00 0.00 C ATOM 108 C ASP A 8 -2.823 13.766 0.134 1.00 0.00 C ATOM 109 O ASP A 8 -2.192 14.139 1.121 1.00 0.00 O ATOM 110 CB ASP A 8 -2.858 15.216 -1.872 1.00 0.00 C ATOM 111 CG ASP A 8 -2.453 16.520 -1.182 1.00 0.00 C ATOM 112 OD1 ASP A 8 -1.271 16.898 -1.332 1.00 0.00 O ATOM 113 OD2 ASP A 8 -3.334 17.109 -0.520 1.00 0.00 O ATOM 0 H ASP A 8 -3.239 12.950 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.161 14.050 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.574 15.275 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.944 15.128 -1.840 1.00 0.00 H new ATOM 117 N GLY A 9 -4.017 13.193 0.179 1.00 0.00 N ATOM 118 CA GLY A 9 -4.739 13.065 1.434 1.00 0.00 C ATOM 119 C GLY A 9 -4.021 12.103 2.384 1.00 0.00 C ATOM 120 O GLY A 9 -3.871 12.393 3.569 1.00 0.00 O ATOM 0 H GLY A 9 -4.503 12.812 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.834 14.044 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.750 12.705 1.241 1.00 0.00 H new ATOM 124 N VAL A 10 -3.596 10.979 1.825 1.00 0.00 N ATOM 125 CA VAL A 10 -2.921 9.962 2.613 1.00 0.00 C ATOM 126 C VAL A 10 -1.547 10.483 3.042 1.00 0.00 C ATOM 127 O VAL A 10 -1.097 10.215 4.155 1.00 0.00 O ATOM 128 CB VAL A 10 -2.844 8.654 1.824 1.00 0.00 C ATOM 129 CG1 VAL A 10 -1.896 7.660 2.499 1.00 0.00 C ATOM 130 CG2 VAL A 10 -4.235 8.045 1.636 1.00 0.00 C ATOM 0 H VAL A 10 -3.706 10.751 0.837 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.485 9.746 3.521 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.442 8.882 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.860 6.739 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.897 8.092 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.255 7.440 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.152 7.116 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.677 7.840 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.868 8.745 1.091 1.00 0.00 H new ATOM 140 N ALA A 11 -0.918 11.217 2.135 1.00 0.00 N ATOM 141 CA ALA A 11 0.385 11.794 2.413 1.00 0.00 C ATOM 142 C ALA A 11 0.294 12.674 3.661 1.00 0.00 C ATOM 143 O ALA A 11 1.113 12.555 4.571 1.00 0.00 O ATOM 144 CB ALA A 11 0.872 12.571 1.187 1.00 0.00 C ATOM 0 H ALA A 11 -1.287 11.425 1.207 1.00 0.00 H new ATOM 0 HA ALA A 11 1.115 11.010 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.850 13.004 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.949 11.896 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.164 13.367 0.956 1.00 0.00 H new ATOM 150 N ASP A 12 -0.711 13.538 3.664 1.00 0.00 N ATOM 151 CA ASP A 12 -0.848 14.522 4.725 1.00 0.00 C ATOM 152 C ASP A 12 -1.116 13.804 6.049 1.00 0.00 C ATOM 153 O ASP A 12 -0.564 14.176 7.083 1.00 0.00 O ATOM 154 CB ASP A 12 -2.022 15.465 4.452 1.00 0.00 C ATOM 155 CG ASP A 12 -2.263 16.525 5.529 1.00 0.00 C ATOM 156 OD1 ASP A 12 -1.375 17.392 5.680 1.00 0.00 O ATOM 157 OD2 ASP A 12 -3.329 16.444 6.176 1.00 0.00 O ATOM 0 H ASP A 12 -1.438 13.577 2.949 1.00 0.00 H new ATOM 0 HA ASP A 12 0.075 15.099 4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.851 15.968 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.928 14.870 4.340 1.00 0.00 H new ATOM 161 N TYR A 13 -1.964 12.789 5.975 1.00 0.00 N ATOM 162 CA TYR A 13 -2.369 12.063 7.166 1.00 0.00 C ATOM 163 C TYR A 13 -1.181 11.330 7.792 1.00 0.00 C ATOM 164 O TYR A 13 -1.120 11.168 9.011 1.00 0.00 O ATOM 165 CB TYR A 13 -3.402 11.033 6.703 1.00 0.00 C ATOM 166 CG TYR A 13 -4.149 10.344 7.845 1.00 0.00 C ATOM 167 CD1 TYR A 13 -3.581 9.265 8.491 1.00 0.00 C ATOM 168 CD2 TYR A 13 -5.393 10.801 8.231 1.00 0.00 C ATOM 169 CE1 TYR A 13 -4.284 8.616 9.566 1.00 0.00 C ATOM 170 CE2 TYR A 13 -6.097 10.152 9.306 1.00 0.00 C ATOM 171 CZ TYR A 13 -5.508 9.092 9.921 1.00 0.00 C ATOM 172 OH TYR A 13 -6.173 8.479 10.937 1.00 0.00 O ATOM 0 H TYR A 13 -2.382 12.452 5.108 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.768 12.747 7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.126 11.526 6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.900 10.275 6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.608 8.907 8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.838 11.646 7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.850 7.771 10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.071 10.499 9.617 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.033 8.926 11.082 1.00 0.00 H new ATOM 181 N LEU A 14 -0.267 10.907 6.932 1.00 0.00 N ATOM 182 CA LEU A 14 0.961 10.280 7.391 1.00 0.00 C ATOM 183 C LEU A 14 1.829 11.324 8.094 1.00 0.00 C ATOM 184 O LEU A 14 2.288 11.103 9.214 1.00 0.00 O ATOM 185 CB LEU A 14 1.666 9.571 6.234 1.00 0.00 C ATOM 186 CG LEU A 14 0.995 8.296 5.718 1.00 0.00 C ATOM 187 CD1 LEU A 14 1.509 7.931 4.324 1.00 0.00 C ATOM 188 CD2 LEU A 14 1.167 7.145 6.713 1.00 0.00 C ATOM 0 H LEU A 14 -0.352 10.986 5.919 1.00 0.00 H new ATOM 0 HA LEU A 14 0.742 9.503 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.754 10.272 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.679 9.322 6.550 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.074 8.486 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.016 7.021 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.292 8.744 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.586 7.767 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.681 6.251 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.229 6.946 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.714 7.417 7.666 1.00 0.00 H new ATOM 199 N GLN A 15 2.029 12.440 7.408 1.00 0.00 N ATOM 200 CA GLN A 15 2.838 13.518 7.950 1.00 0.00 C ATOM 201 C GLN A 15 2.330 13.915 9.338 1.00 0.00 C ATOM 202 O GLN A 15 3.117 14.285 10.208 1.00 0.00 O ATOM 203 CB GLN A 15 2.853 14.721 7.006 1.00 0.00 C ATOM 204 CG GLN A 15 3.576 14.385 5.701 1.00 0.00 C ATOM 205 CD GLN A 15 5.087 14.580 5.846 1.00 0.00 C ATOM 206 OE1 GLN A 15 5.610 15.677 5.739 1.00 0.00 O ATOM 207 NE2 GLN A 15 5.756 13.458 6.093 1.00 0.00 N ATOM 0 H GLN A 15 1.644 12.621 6.481 1.00 0.00 H new ATOM 0 HA GLN A 15 3.864 13.163 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.831 15.031 6.790 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.345 15.563 7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.364 13.354 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.199 15.019 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.256 12.572 6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.770 13.483 6.205 1.00 0.00 H new ATOM 214 N THR A 16 1.018 13.825 9.501 1.00 0.00 N ATOM 215 CA THR A 16 0.396 14.170 10.768 1.00 0.00 C ATOM 216 C THR A 16 0.688 13.094 11.816 1.00 0.00 C ATOM 217 O THR A 16 1.518 13.294 12.701 1.00 0.00 O ATOM 218 CB THR A 16 -1.098 14.386 10.518 1.00 0.00 C ATOM 219 OG1 THR A 16 -1.140 15.453 9.574 1.00 0.00 O ATOM 220 CG2 THR A 16 -1.822 14.945 11.744 1.00 0.00 C ATOM 0 H THR A 16 0.369 13.518 8.777 1.00 0.00 H new ATOM 0 HA THR A 16 0.809 15.094 11.173 1.00 0.00 H new ATOM 0 HB THR A 16 -1.557 13.442 10.224 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.997 15.098 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.879 15.079 11.513 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.718 14.249 12.576 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.386 15.906 12.018 1.00 0.00 H new ATOM 228 N TYR A 17 -0.011 11.977 11.680 1.00 0.00 N ATOM 229 CA TYR A 17 -0.116 11.022 12.771 1.00 0.00 C ATOM 230 C TYR A 17 0.981 9.959 12.675 1.00 0.00 C ATOM 231 O TYR A 17 1.190 9.193 13.614 1.00 0.00 O ATOM 232 CB TYR A 17 -1.479 10.347 12.611 1.00 0.00 C ATOM 233 CG TYR A 17 -2.662 11.316 12.662 1.00 0.00 C ATOM 234 CD1 TYR A 17 -3.010 11.919 13.854 1.00 0.00 C ATOM 235 CD2 TYR A 17 -3.382 11.586 11.516 1.00 0.00 C ATOM 236 CE1 TYR A 17 -4.124 12.830 13.901 1.00 0.00 C ATOM 237 CE2 TYR A 17 -4.496 12.497 11.564 1.00 0.00 C ATOM 238 CZ TYR A 17 -4.812 13.074 12.754 1.00 0.00 C ATOM 239 OH TYR A 17 -5.864 13.935 12.800 1.00 0.00 O ATOM 0 H TYR A 17 -0.510 11.711 10.831 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.009 11.524 13.733 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.500 9.814 11.661 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.599 9.602 13.397 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.447 11.708 14.751 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.110 11.114 10.583 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.407 13.309 14.827 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.068 12.717 10.675 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.261 14.015 11.907 1.00 0.00 H new ATOM 248 N HIS A 18 1.652 9.948 11.533 1.00 0.00 N ATOM 249 CA HIS A 18 2.776 9.048 11.335 1.00 0.00 C ATOM 250 C HIS A 18 2.282 7.600 11.346 1.00 0.00 C ATOM 251 O HIS A 18 2.946 6.719 11.891 1.00 0.00 O ATOM 252 CB HIS A 18 3.871 9.310 12.371 1.00 0.00 C ATOM 253 CG HIS A 18 4.221 10.769 12.539 1.00 0.00 C ATOM 254 ND1 HIS A 18 4.377 11.364 13.779 1.00 0.00 N ATOM 255 CD2 HIS A 18 4.444 11.745 11.612 1.00 0.00 C ATOM 256 CE1 HIS A 18 4.680 12.641 13.594 1.00 0.00 C ATOM 257 NE2 HIS A 18 4.721 12.875 12.251 1.00 0.00 N ATOM 0 H HIS A 18 1.439 10.547 10.736 1.00 0.00 H new ATOM 0 HA HIS A 18 3.228 9.233 10.361 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.550 8.911 13.333 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.768 8.763 12.083 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.402 11.619 10.540 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.862 13.369 14.371 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.930 13.771 11.810 1.00 0.00 H new ATOM 264 N LYS A 19 1.123 7.399 10.738 1.00 0.00 N ATOM 265 CA LYS A 19 0.653 6.055 10.447 1.00 0.00 C ATOM 266 C LYS A 19 -0.529 6.131 9.479 1.00 0.00 C ATOM 267 O LYS A 19 -1.005 7.219 9.159 1.00 0.00 O ATOM 268 CB LYS A 19 0.340 5.305 11.744 1.00 0.00 C ATOM 269 CG LYS A 19 -0.684 6.069 12.586 1.00 0.00 C ATOM 270 CD LYS A 19 -0.984 5.328 13.889 1.00 0.00 C ATOM 271 CE LYS A 19 -2.368 5.701 14.426 1.00 0.00 C ATOM 272 NZ LYS A 19 -2.465 7.162 14.638 1.00 0.00 N ATOM 0 H LYS A 19 0.495 8.145 10.438 1.00 0.00 H new ATOM 0 HA LYS A 19 1.433 5.477 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.044 4.312 11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.256 5.165 12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.305 7.066 12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.604 6.198 12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.933 4.252 13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.224 5.570 14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.136 5.378 13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.554 5.178 15.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.304 7.374 15.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.612 7.499 15.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.547 7.641 13.719 1.00 0.00 H new ATOM 282 N LEU A 20 -0.969 4.960 9.040 1.00 0.00 N ATOM 283 CA LEU A 20 -2.136 4.875 8.178 1.00 0.00 C ATOM 284 C LEU A 20 -3.387 5.228 8.985 1.00 0.00 C ATOM 285 O LEU A 20 -3.341 5.295 10.213 1.00 0.00 O ATOM 286 CB LEU A 20 -2.206 3.502 7.506 1.00 0.00 C ATOM 287 CG LEU A 20 -0.988 3.103 6.671 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.062 1.630 6.263 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.826 4.025 5.460 1.00 0.00 C ATOM 0 H LEU A 20 -0.538 4.063 9.265 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.064 5.599 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.355 2.748 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.086 3.478 6.864 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.098 3.223 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.184 1.372 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.093 1.006 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.962 1.461 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.047 3.719 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.715 3.961 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.695 5.052 5.800 1.00 0.00 H new ATOM 300 N PRO A 21 -4.506 5.451 8.244 1.00 0.00 N ATOM 301 CA PRO A 21 -5.830 5.246 8.805 1.00 0.00 C ATOM 302 C PRO A 21 -6.155 3.754 8.911 1.00 0.00 C ATOM 303 O PRO A 21 -5.428 2.917 8.378 1.00 0.00 O ATOM 304 CB PRO A 21 -6.772 5.993 7.878 1.00 0.00 C ATOM 305 CG PRO A 21 -6.004 6.200 6.581 1.00 0.00 C ATOM 306 CD PRO A 21 -4.538 5.902 6.855 1.00 0.00 C ATOM 0 HA PRO A 21 -5.917 5.621 9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.684 5.422 7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.071 6.947 8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.388 5.543 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.126 7.223 6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.157 5.135 6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.920 6.788 6.712 1.00 0.00 H new ATOM 311 N ASP A 22 -7.247 3.466 9.603 1.00 0.00 N ATOM 312 CA ASP A 22 -7.507 2.114 10.065 1.00 0.00 C ATOM 313 C ASP A 22 -8.052 1.279 8.903 1.00 0.00 C ATOM 314 O ASP A 22 -8.173 0.060 9.013 1.00 0.00 O ATOM 315 CB ASP A 22 -8.550 2.104 11.184 1.00 0.00 C ATOM 316 CG ASP A 22 -9.958 2.530 10.761 1.00 0.00 C ATOM 317 OD1 ASP A 22 -10.171 3.758 10.657 1.00 0.00 O ATOM 318 OD2 ASP A 22 -10.787 1.619 10.550 1.00 0.00 O ATOM 0 H ASP A 22 -7.963 4.147 9.855 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.571 1.701 10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.601 1.099 11.603 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.211 2.765 11.982 1.00 0.00 H new ATOM 322 N ASN A 23 -8.367 1.970 7.817 1.00 0.00 N ATOM 323 CA ASN A 23 -9.197 1.389 6.776 1.00 0.00 C ATOM 324 C ASN A 23 -8.324 0.545 5.844 1.00 0.00 C ATOM 325 O ASN A 23 -8.830 -0.096 4.925 1.00 0.00 O ATOM 326 CB ASN A 23 -9.869 2.478 5.937 1.00 0.00 C ATOM 327 CG ASN A 23 -8.828 3.368 5.256 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.731 3.574 5.750 1.00 0.00 O ATOM 329 ND2 ASN A 23 -9.230 3.883 4.099 1.00 0.00 N ATOM 0 H ASN A 23 -8.062 2.926 7.636 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.962 0.779 7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.508 2.018 5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.512 3.086 6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.607 4.491 3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.162 3.670 3.742 1.00 0.00 H new ATOM 335 N TYR A 24 -7.027 0.575 6.114 1.00 0.00 N ATOM 336 CA TYR A 24 -6.090 -0.250 5.372 1.00 0.00 C ATOM 337 C TYR A 24 -5.780 -1.544 6.126 1.00 0.00 C ATOM 338 O TYR A 24 -5.479 -1.514 7.318 1.00 0.00 O ATOM 339 CB TYR A 24 -4.807 0.574 5.249 1.00 0.00 C ATOM 340 CG TYR A 24 -4.937 1.797 4.337 1.00 0.00 C ATOM 341 CD1 TYR A 24 -6.130 2.051 3.691 1.00 0.00 C ATOM 342 CD2 TYR A 24 -3.861 2.642 4.160 1.00 0.00 C ATOM 343 CE1 TYR A 24 -6.252 3.201 2.833 1.00 0.00 C ATOM 344 CE2 TYR A 24 -3.983 3.792 3.300 1.00 0.00 C ATOM 345 CZ TYR A 24 -5.173 4.014 2.680 1.00 0.00 C ATOM 346 OH TYR A 24 -5.288 5.100 1.869 1.00 0.00 O ATOM 0 H TYR A 24 -6.604 1.158 6.836 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.506 -0.524 4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.503 0.905 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.011 -0.067 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.971 1.388 3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.928 2.442 4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.180 3.413 2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.149 4.462 3.151 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.164 5.518 2.005 1.00 0.00 H new ATOM 355 N ILE A 25 -5.865 -2.650 5.402 1.00 0.00 N ATOM 356 CA ILE A 25 -5.548 -3.947 5.975 1.00 0.00 C ATOM 357 C ILE A 25 -4.380 -4.567 5.205 1.00 0.00 C ATOM 358 O ILE A 25 -4.233 -4.344 4.005 1.00 0.00 O ATOM 359 CB ILE A 25 -6.794 -4.833 6.019 1.00 0.00 C ATOM 360 CG1 ILE A 25 -7.238 -5.227 4.609 1.00 0.00 C ATOM 361 CG2 ILE A 25 -7.919 -4.157 6.806 1.00 0.00 C ATOM 362 CD1 ILE A 25 -8.104 -6.487 4.639 1.00 0.00 C ATOM 0 H ILE A 25 -6.149 -2.675 4.423 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.227 -3.838 7.011 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.540 -5.753 6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.798 -4.408 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.362 -5.398 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.793 -4.808 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.587 -3.970 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.179 -3.212 6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.406 -6.745 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.533 -7.311 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.991 -6.305 5.246 1.00 0.00 H new ATOM 373 N THR A 26 -3.577 -5.334 5.929 1.00 0.00 N ATOM 374 CA THR A 26 -2.444 -6.014 5.323 1.00 0.00 C ATOM 375 C THR A 26 -2.908 -7.274 4.589 1.00 0.00 C ATOM 376 O THR A 26 -3.938 -7.852 4.932 1.00 0.00 O ATOM 377 CB THR A 26 -1.418 -6.294 6.423 1.00 0.00 C ATOM 378 OG1 THR A 26 -2.190 -6.848 7.485 1.00 0.00 O ATOM 379 CG2 THR A 26 -0.832 -5.012 7.017 1.00 0.00 C ATOM 0 H THR A 26 -3.689 -5.500 6.929 1.00 0.00 H new ATOM 0 HA THR A 26 -1.968 -5.392 4.565 1.00 0.00 H new ATOM 0 HB THR A 26 -0.613 -6.908 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.979 -7.800 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.110 -5.267 7.793 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.335 -4.441 6.232 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.633 -4.412 7.450 1.00 0.00 H new ATOM 387 N LYS A 27 -2.126 -7.661 3.594 1.00 0.00 N ATOM 388 CA LYS A 27 -2.487 -8.791 2.753 1.00 0.00 C ATOM 389 C LYS A 27 -2.713 -10.023 3.633 1.00 0.00 C ATOM 390 O LYS A 27 -3.552 -10.866 3.322 1.00 0.00 O ATOM 391 CB LYS A 27 -1.440 -9.001 1.658 1.00 0.00 C ATOM 392 CG LYS A 27 -1.566 -7.934 0.567 1.00 0.00 C ATOM 393 CD LYS A 27 -0.355 -7.960 -0.367 1.00 0.00 C ATOM 394 CE LYS A 27 -0.413 -9.166 -1.306 1.00 0.00 C ATOM 395 NZ LYS A 27 0.774 -9.192 -2.190 1.00 0.00 N ATOM 0 H LYS A 27 -1.243 -7.213 3.350 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.424 -8.594 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.441 -8.965 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.561 -9.991 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.477 -8.102 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.655 -6.949 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.322 -7.041 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.562 -7.996 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.460 -10.086 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.321 -9.123 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.719 -10.017 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.802 -8.322 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.636 -9.255 -1.612 1.00 0.00 H new ATOM 405 N SER A 28 -1.948 -10.087 4.712 1.00 0.00 N ATOM 406 CA SER A 28 -2.104 -11.162 5.677 1.00 0.00 C ATOM 407 C SER A 28 -3.525 -11.152 6.246 1.00 0.00 C ATOM 408 O SER A 28 -4.225 -12.161 6.195 1.00 0.00 O ATOM 409 CB SER A 28 -1.079 -11.042 6.808 1.00 0.00 C ATOM 410 OG SER A 28 -1.408 -9.995 7.717 1.00 0.00 O ATOM 0 H SER A 28 -1.218 -9.412 4.940 1.00 0.00 H new ATOM 0 HA SER A 28 -1.930 -12.108 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.023 -11.987 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.092 -10.858 6.385 1.00 0.00 H new ATOM 0 HG SER A 28 -0.731 -9.951 8.425 1.00 0.00 H new ATOM 415 N GLU A 29 -3.908 -9.998 6.775 1.00 0.00 N ATOM 416 CA GLU A 29 -5.203 -9.865 7.421 1.00 0.00 C ATOM 417 C GLU A 29 -6.324 -10.226 6.443 1.00 0.00 C ATOM 418 O GLU A 29 -7.169 -11.066 6.746 1.00 0.00 O ATOM 419 CB GLU A 29 -5.394 -8.454 7.979 1.00 0.00 C ATOM 420 CG GLU A 29 -4.541 -8.237 9.229 1.00 0.00 C ATOM 421 CD GLU A 29 -4.574 -6.772 9.670 1.00 0.00 C ATOM 422 OE1 GLU A 29 -4.384 -5.910 8.787 1.00 0.00 O ATOM 423 OE2 GLU A 29 -4.791 -6.550 10.881 1.00 0.00 O ATOM 0 H GLU A 29 -3.345 -9.148 6.769 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.243 -10.560 8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.125 -7.720 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.445 -8.294 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.906 -8.872 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.512 -8.537 9.028 1.00 0.00 H new ATOM 428 N ALA A 30 -6.294 -9.572 5.292 1.00 0.00 N ATOM 429 CA ALA A 30 -7.263 -9.853 4.246 1.00 0.00 C ATOM 430 C ALA A 30 -7.412 -11.368 4.088 1.00 0.00 C ATOM 431 O ALA A 30 -8.518 -11.899 4.177 1.00 0.00 O ATOM 432 CB ALA A 30 -6.825 -9.172 2.948 1.00 0.00 C ATOM 0 H ALA A 30 -5.614 -8.848 5.060 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.241 -9.451 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.552 -9.383 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.763 -8.095 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.848 -9.552 2.649 1.00 0.00 H new ATOM 438 N GLN A 31 -6.283 -12.021 3.860 1.00 0.00 N ATOM 439 CA GLN A 31 -6.291 -13.430 3.506 1.00 0.00 C ATOM 440 C GLN A 31 -6.954 -14.251 4.615 1.00 0.00 C ATOM 441 O GLN A 31 -7.753 -15.144 4.337 1.00 0.00 O ATOM 442 CB GLN A 31 -4.874 -13.934 3.225 1.00 0.00 C ATOM 443 CG GLN A 31 -4.527 -13.793 1.741 1.00 0.00 C ATOM 444 CD GLN A 31 -3.255 -14.572 1.400 1.00 0.00 C ATOM 445 OE1 GLN A 31 -2.169 -14.026 1.303 1.00 0.00 O ATOM 446 NE2 GLN A 31 -3.451 -15.876 1.223 1.00 0.00 N ATOM 0 H GLN A 31 -5.355 -11.600 3.913 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.872 -13.551 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.158 -13.372 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.789 -14.979 3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.355 -14.158 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.390 -12.740 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.387 -16.269 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.665 -16.483 0.991 1.00 0.00 H new ATOM 453 N ALA A 32 -6.599 -13.918 5.847 1.00 0.00 N ATOM 454 CA ALA A 32 -7.165 -14.598 6.999 1.00 0.00 C ATOM 455 C ALA A 32 -8.691 -14.515 6.936 1.00 0.00 C ATOM 456 O ALA A 32 -9.385 -15.463 7.299 1.00 0.00 O ATOM 457 CB ALA A 32 -6.601 -13.987 8.282 1.00 0.00 C ATOM 0 H ALA A 32 -5.926 -13.186 6.073 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.891 -15.653 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.026 -14.498 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.517 -14.098 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.857 -12.928 8.324 1.00 0.00 H new ATOM 463 N LEU A 33 -9.170 -13.370 6.472 1.00 0.00 N ATOM 464 CA LEU A 33 -10.599 -13.101 6.469 1.00 0.00 C ATOM 465 C LEU A 33 -11.258 -13.887 5.334 1.00 0.00 C ATOM 466 O LEU A 33 -12.480 -14.019 5.294 1.00 0.00 O ATOM 467 CB LEU A 33 -10.862 -11.596 6.409 1.00 0.00 C ATOM 468 CG LEU A 33 -10.634 -10.821 7.709 1.00 0.00 C ATOM 469 CD1 LEU A 33 -10.173 -9.391 7.422 1.00 0.00 C ATOM 470 CD2 LEU A 33 -11.883 -10.856 8.592 1.00 0.00 C ATOM 0 H LEU A 33 -8.594 -12.617 6.095 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.053 -13.442 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.224 -11.167 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.893 -11.440 6.093 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.833 -11.310 8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.018 -8.863 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.238 -9.416 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.933 -8.874 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.696 -10.298 9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.719 -10.405 8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.125 -11.890 8.839 1.00 0.00 H new ATOM 481 N GLY A 34 -10.420 -14.389 4.439 1.00 0.00 N ATOM 482 CA GLY A 34 -10.891 -15.264 3.379 1.00 0.00 C ATOM 483 C GLY A 34 -10.898 -14.539 2.033 1.00 0.00 C ATOM 484 O GLY A 34 -11.337 -15.096 1.026 1.00 0.00 O ATOM 0 H GLY A 34 -9.417 -14.206 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.252 -16.145 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.896 -15.615 3.612 1.00 0.00 H new ATOM 488 N TRP A 35 -10.406 -13.309 2.055 1.00 0.00 N ATOM 489 CA TRP A 35 -10.065 -12.616 0.825 1.00 0.00 C ATOM 490 C TRP A 35 -9.305 -13.595 -0.074 1.00 0.00 C ATOM 491 O TRP A 35 -8.411 -14.301 0.389 1.00 0.00 O ATOM 492 CB TRP A 35 -9.278 -11.337 1.116 1.00 0.00 C ATOM 493 CG TRP A 35 -8.597 -10.732 -0.114 1.00 0.00 C ATOM 494 CD1 TRP A 35 -9.175 -10.239 -1.217 1.00 0.00 C ATOM 495 CD2 TRP A 35 -7.177 -10.576 -0.320 1.00 0.00 C ATOM 496 NE1 TRP A 35 -8.235 -9.778 -2.117 1.00 0.00 N ATOM 497 CE2 TRP A 35 -6.982 -9.990 -1.554 1.00 0.00 C ATOM 498 CE3 TRP A 35 -6.094 -10.919 0.508 1.00 0.00 C ATOM 499 CZ2 TRP A 35 -5.714 -9.694 -2.070 1.00 0.00 C ATOM 500 CZ3 TRP A 35 -4.834 -10.617 -0.023 1.00 0.00 C ATOM 501 CH2 TRP A 35 -4.620 -10.027 -1.263 1.00 0.00 C ATOM 0 H TRP A 35 -10.235 -12.774 2.907 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.965 -12.291 0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.953 -10.597 1.546 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.520 -11.552 1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -10.242 -10.206 -1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.425 -9.359 -3.027 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.223 -11.379 1.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.587 -9.234 -3.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.967 -10.860 0.573 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.614 -9.826 -1.602 1.00 0.00 H new ATOM 511 N VAL A 36 -9.688 -13.604 -1.342 1.00 0.00 N ATOM 512 CA VAL A 36 -8.850 -14.190 -2.372 1.00 0.00 C ATOM 513 C VAL A 36 -8.564 -13.142 -3.450 1.00 0.00 C ATOM 514 O VAL A 36 -9.465 -12.741 -4.186 1.00 0.00 O ATOM 515 CB VAL A 36 -9.510 -15.454 -2.929 1.00 0.00 C ATOM 516 CG1 VAL A 36 -8.458 -16.462 -3.396 1.00 0.00 C ATOM 517 CG2 VAL A 36 -10.450 -16.081 -1.898 1.00 0.00 C ATOM 0 H VAL A 36 -10.568 -13.214 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.891 -14.497 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.106 -15.167 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.954 -17.350 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.847 -16.013 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.823 -16.741 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -10.906 -16.977 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.885 -16.347 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.230 -15.367 -1.635 1.00 0.00 H new ATOM 527 N ALA A 37 -7.308 -12.727 -3.508 1.00 0.00 N ATOM 528 CA ALA A 37 -6.852 -11.868 -4.588 1.00 0.00 C ATOM 529 C ALA A 37 -7.307 -12.455 -5.926 1.00 0.00 C ATOM 530 O ALA A 37 -7.651 -11.717 -6.848 1.00 0.00 O ATOM 531 CB ALA A 37 -5.333 -11.709 -4.509 1.00 0.00 C ATOM 0 H ALA A 37 -6.591 -12.969 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.289 -10.873 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.992 -11.065 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.063 -11.262 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.860 -12.687 -4.599 1.00 0.00 H new ATOM 537 N SER A 38 -7.294 -13.779 -5.989 1.00 0.00 N ATOM 538 CA SER A 38 -7.591 -14.471 -7.233 1.00 0.00 C ATOM 539 C SER A 38 -9.089 -14.385 -7.534 1.00 0.00 C ATOM 540 O SER A 38 -9.511 -14.607 -8.668 1.00 0.00 O ATOM 541 CB SER A 38 -7.146 -15.934 -7.169 1.00 0.00 C ATOM 542 OG SER A 38 -7.244 -16.578 -8.436 1.00 0.00 O ATOM 0 H SER A 38 -7.083 -14.390 -5.200 1.00 0.00 H new ATOM 0 HA SER A 38 -7.036 -13.985 -8.036 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.116 -15.984 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.759 -16.468 -6.443 1.00 0.00 H new ATOM 0 HG SER A 38 -7.886 -16.097 -8.999 1.00 0.00 H new ATOM 547 N LYS A 39 -9.851 -14.062 -6.500 1.00 0.00 N ATOM 548 CA LYS A 39 -11.282 -13.869 -6.657 1.00 0.00 C ATOM 549 C LYS A 39 -11.586 -12.371 -6.729 1.00 0.00 C ATOM 550 O LYS A 39 -12.687 -11.975 -7.107 1.00 0.00 O ATOM 551 CB LYS A 39 -12.046 -14.598 -5.549 1.00 0.00 C ATOM 552 CG LYS A 39 -11.855 -16.112 -5.657 1.00 0.00 C ATOM 553 CD LYS A 39 -12.751 -16.850 -4.660 1.00 0.00 C ATOM 554 CE LYS A 39 -12.427 -18.345 -4.635 1.00 0.00 C ATOM 555 NZ LYS A 39 -13.283 -19.044 -3.648 1.00 0.00 N ATOM 0 H LYS A 39 -9.504 -13.929 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.625 -14.310 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.699 -14.253 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.107 -14.356 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.086 -16.440 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.811 -16.365 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.617 -16.428 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.797 -16.705 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.580 -18.773 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.377 -18.492 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.051 -20.058 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.117 -18.646 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.283 -18.919 -3.906 1.00 0.00 H new ATOM 565 N GLY A 40 -10.589 -11.580 -6.361 1.00 0.00 N ATOM 566 CA GLY A 40 -10.627 -10.153 -6.634 1.00 0.00 C ATOM 567 C GLY A 40 -11.424 -9.410 -5.559 1.00 0.00 C ATOM 568 O GLY A 40 -11.725 -8.228 -5.711 1.00 0.00 O ATOM 0 H GLY A 40 -9.750 -11.900 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.611 -9.760 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.077 -9.978 -7.611 1.00 0.00 H new ATOM 572 N ASN A 41 -11.743 -10.136 -4.498 1.00 0.00 N ATOM 573 CA ASN A 41 -13.007 -9.939 -3.809 1.00 0.00 C ATOM 574 C ASN A 41 -12.751 -9.252 -2.467 1.00 0.00 C ATOM 575 O ASN A 41 -13.382 -9.584 -1.464 1.00 0.00 O ATOM 576 CB ASN A 41 -13.696 -11.277 -3.531 1.00 0.00 C ATOM 577 CG ASN A 41 -12.877 -12.123 -2.555 1.00 0.00 C ATOM 578 OD1 ASN A 41 -11.705 -12.397 -2.762 1.00 0.00 O ATOM 579 ND2 ASN A 41 -13.555 -12.524 -1.484 1.00 0.00 N ATOM 0 H ASN A 41 -11.148 -10.862 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.647 -9.328 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -14.689 -11.100 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.831 -11.822 -4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.096 -13.096 -0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.534 -12.260 -1.372 1.00 0.00 H new ATOM 585 N LEU A 42 -11.823 -8.306 -2.490 1.00 0.00 N ATOM 586 CA LEU A 42 -11.469 -7.574 -1.285 1.00 0.00 C ATOM 587 C LEU A 42 -12.683 -6.774 -0.806 1.00 0.00 C ATOM 588 O LEU A 42 -12.911 -6.647 0.396 1.00 0.00 O ATOM 589 CB LEU A 42 -10.224 -6.719 -1.524 1.00 0.00 C ATOM 590 CG LEU A 42 -9.593 -6.089 -0.280 1.00 0.00 C ATOM 591 CD1 LEU A 42 -8.626 -7.063 0.397 1.00 0.00 C ATOM 592 CD2 LEU A 42 -8.922 -4.758 -0.620 1.00 0.00 C ATOM 0 H LEU A 42 -11.305 -8.029 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.204 -8.263 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.472 -7.337 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.484 -5.921 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.387 -5.875 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.191 -6.591 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.165 -7.962 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.832 -7.331 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.482 -4.332 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.141 -4.923 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.664 -4.069 -1.022 1.00 0.00 H new ATOM 603 N ALA A 43 -13.428 -6.254 -1.770 1.00 0.00 N ATOM 604 CA ALA A 43 -14.548 -5.382 -1.463 1.00 0.00 C ATOM 605 C ALA A 43 -15.672 -6.207 -0.832 1.00 0.00 C ATOM 606 O ALA A 43 -16.591 -5.653 -0.231 1.00 0.00 O ATOM 607 CB ALA A 43 -14.998 -4.660 -2.734 1.00 0.00 C ATOM 0 H ALA A 43 -13.277 -6.420 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.254 -4.619 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -15.839 -4.006 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.173 -4.066 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.304 -5.393 -3.480 1.00 0.00 H new ATOM 613 N ASP A 44 -15.561 -7.518 -0.991 1.00 0.00 N ATOM 614 CA ASP A 44 -16.661 -8.408 -0.658 1.00 0.00 C ATOM 615 C ASP A 44 -16.467 -8.940 0.763 1.00 0.00 C ATOM 616 O ASP A 44 -17.440 -9.195 1.472 1.00 0.00 O ATOM 617 CB ASP A 44 -16.708 -9.604 -1.610 1.00 0.00 C ATOM 618 CG ASP A 44 -17.261 -10.894 -1.000 1.00 0.00 C ATOM 619 OD1 ASP A 44 -18.483 -10.919 -0.738 1.00 0.00 O ATOM 620 OD2 ASP A 44 -16.450 -11.825 -0.808 1.00 0.00 O ATOM 0 H ASP A 44 -14.727 -7.985 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.590 -7.844 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.317 -9.338 -2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.700 -9.797 -1.978 1.00 0.00 H new ATOM 624 N VAL A 45 -15.205 -9.093 1.137 1.00 0.00 N ATOM 625 CA VAL A 45 -14.872 -9.565 2.469 1.00 0.00 C ATOM 626 C VAL A 45 -14.746 -8.367 3.414 1.00 0.00 C ATOM 627 O VAL A 45 -14.833 -8.520 4.630 1.00 0.00 O ATOM 628 CB VAL A 45 -13.605 -10.422 2.420 1.00 0.00 C ATOM 629 CG1 VAL A 45 -13.875 -11.758 1.723 1.00 0.00 C ATOM 630 CG2 VAL A 45 -12.461 -9.669 1.739 1.00 0.00 C ATOM 0 H VAL A 45 -14.401 -8.898 0.540 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.666 -10.204 2.856 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.302 -10.634 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.959 -12.349 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -14.646 -12.303 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.213 -11.575 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.572 -10.300 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.750 -9.413 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.245 -8.756 2.294 1.00 0.00 H new ATOM 640 N ALA A 46 -14.543 -7.202 2.815 1.00 0.00 N ATOM 641 CA ALA A 46 -14.175 -6.022 3.580 1.00 0.00 C ATOM 642 C ALA A 46 -14.594 -4.769 2.809 1.00 0.00 C ATOM 643 O ALA A 46 -13.758 -4.098 2.207 1.00 0.00 O ATOM 644 CB ALA A 46 -12.675 -6.052 3.874 1.00 0.00 C ATOM 0 H ALA A 46 -14.626 -7.050 1.810 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.694 -6.008 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.399 -5.167 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.435 -6.947 4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.120 -6.064 2.936 1.00 0.00 H new ATOM 650 N PRO A 47 -15.923 -4.483 2.854 1.00 0.00 N ATOM 651 CA PRO A 47 -16.505 -3.485 1.974 1.00 0.00 C ATOM 652 C PRO A 47 -16.150 -2.071 2.438 1.00 0.00 C ATOM 653 O PRO A 47 -16.537 -1.658 3.530 1.00 0.00 O ATOM 654 CB PRO A 47 -17.999 -3.761 1.998 1.00 0.00 C ATOM 655 CG PRO A 47 -18.249 -4.598 3.242 1.00 0.00 C ATOM 656 CD PRO A 47 -16.904 -5.103 3.741 1.00 0.00 C ATOM 0 HA PRO A 47 -16.119 -3.546 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.567 -2.831 2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.312 -4.293 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -18.742 -4.002 4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -18.910 -5.434 3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -16.735 -4.818 4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -16.848 -6.191 3.695 1.00 0.00 H new ATOM 661 N GLY A 48 -15.417 -1.369 1.588 1.00 0.00 N ATOM 662 CA GLY A 48 -15.090 0.022 1.851 1.00 0.00 C ATOM 663 C GLY A 48 -13.605 0.184 2.176 1.00 0.00 C ATOM 664 O GLY A 48 -13.063 1.285 2.088 1.00 0.00 O ATOM 0 H GLY A 48 -15.039 -1.738 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.344 0.629 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.690 0.389 2.683 1.00 0.00 H new ATOM 668 N LYS A 49 -12.988 -0.928 2.547 1.00 0.00 N ATOM 669 CA LYS A 49 -11.608 -0.902 3.002 1.00 0.00 C ATOM 670 C LYS A 49 -10.679 -1.157 1.813 1.00 0.00 C ATOM 671 O LYS A 49 -11.134 -1.532 0.734 1.00 0.00 O ATOM 672 CB LYS A 49 -11.408 -1.883 4.159 1.00 0.00 C ATOM 673 CG LYS A 49 -12.120 -1.394 5.422 1.00 0.00 C ATOM 674 CD LYS A 49 -11.970 -2.403 6.563 1.00 0.00 C ATOM 675 CE LYS A 49 -12.703 -1.925 7.817 1.00 0.00 C ATOM 676 NZ LYS A 49 -11.980 -0.794 8.441 1.00 0.00 N ATOM 0 H LYS A 49 -13.418 -1.853 2.542 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.356 0.081 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.790 -2.864 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.343 -2.001 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.708 -0.432 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.177 -1.235 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.366 -3.370 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.913 -2.548 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.716 -1.618 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.791 -2.746 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.413 -0.570 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.983 -1.055 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.036 0.038 7.820 1.00 0.00 H new ATOM 686 N SER A 50 -9.394 -0.940 2.051 1.00 0.00 N ATOM 687 CA SER A 50 -8.392 -1.184 1.027 1.00 0.00 C ATOM 688 C SER A 50 -7.274 -2.067 1.587 1.00 0.00 C ATOM 689 O SER A 50 -7.346 -2.514 2.730 1.00 0.00 O ATOM 690 CB SER A 50 -7.815 0.131 0.497 1.00 0.00 C ATOM 691 OG SER A 50 -8.837 1.058 0.145 1.00 0.00 O ATOM 0 H SER A 50 -9.023 -0.598 2.938 1.00 0.00 H new ATOM 0 HA SER A 50 -8.872 -1.701 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.168 0.574 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.193 -0.071 -0.375 1.00 0.00 H new ATOM 0 HG SER A 50 -9.180 0.843 -0.747 1.00 0.00 H new ATOM 696 N ILE A 51 -6.267 -2.290 0.755 1.00 0.00 N ATOM 697 CA ILE A 51 -4.973 -2.729 1.247 1.00 0.00 C ATOM 698 C ILE A 51 -4.129 -1.507 1.612 1.00 0.00 C ATOM 699 O ILE A 51 -4.316 -0.429 1.049 1.00 0.00 O ATOM 700 CB ILE A 51 -4.303 -3.661 0.235 1.00 0.00 C ATOM 701 CG1 ILE A 51 -5.231 -4.816 -0.145 1.00 0.00 C ATOM 702 CG2 ILE A 51 -2.953 -4.157 0.757 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.119 -5.963 0.863 1.00 0.00 C ATOM 0 H ILE A 51 -6.322 -2.175 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.091 -3.317 2.157 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.107 -3.094 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.261 -4.462 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.979 -5.177 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.498 -4.817 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.297 -3.305 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.101 -4.702 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.789 -6.772 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.093 -6.331 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.395 -5.604 1.855 1.00 0.00 H new ATOM 714 N GLY A 52 -3.219 -1.715 2.551 1.00 0.00 N ATOM 715 CA GLY A 52 -2.222 -0.705 2.865 1.00 0.00 C ATOM 716 C GLY A 52 -1.436 -1.081 4.122 1.00 0.00 C ATOM 717 O GLY A 52 -1.956 -1.765 5.002 1.00 0.00 O ATOM 0 H GLY A 52 -3.151 -2.568 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.537 -0.591 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.710 0.259 3.012 1.00 0.00 H new ATOM 721 N GLY A 53 -0.195 -0.618 4.168 1.00 0.00 N ATOM 722 CA GLY A 53 0.679 -0.927 5.286 1.00 0.00 C ATOM 723 C GLY A 53 1.630 -2.072 4.937 1.00 0.00 C ATOM 724 O GLY A 53 2.609 -2.307 5.643 1.00 0.00 O ATOM 0 H GLY A 53 0.226 -0.031 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.254 -0.042 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.081 -1.198 6.156 1.00 0.00 H new ATOM 728 N ASP A 54 1.309 -2.755 3.848 1.00 0.00 N ATOM 729 CA ASP A 54 2.146 -3.846 3.374 1.00 0.00 C ATOM 730 C ASP A 54 3.561 -3.323 3.120 1.00 0.00 C ATOM 731 O ASP A 54 3.810 -2.123 3.217 1.00 0.00 O ATOM 732 CB ASP A 54 1.610 -4.419 2.061 1.00 0.00 C ATOM 733 CG ASP A 54 0.524 -5.486 2.217 1.00 0.00 C ATOM 734 OD1 ASP A 54 -0.658 -5.086 2.294 1.00 0.00 O ATOM 735 OD2 ASP A 54 0.899 -6.677 2.255 1.00 0.00 O ATOM 0 H ASP A 54 0.481 -2.575 3.280 1.00 0.00 H new ATOM 0 HA ASP A 54 2.147 -4.627 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.211 -3.601 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.442 -4.848 1.503 1.00 0.00 H new ATOM 739 N ILE A 55 4.451 -4.251 2.800 1.00 0.00 N ATOM 740 CA ILE A 55 5.789 -3.887 2.364 1.00 0.00 C ATOM 741 C ILE A 55 5.798 -3.726 0.843 1.00 0.00 C ATOM 742 O ILE A 55 5.047 -4.399 0.138 1.00 0.00 O ATOM 743 CB ILE A 55 6.815 -4.898 2.882 1.00 0.00 C ATOM 744 CG1 ILE A 55 6.699 -5.068 4.398 1.00 0.00 C ATOM 745 CG2 ILE A 55 8.231 -4.507 2.456 1.00 0.00 C ATOM 746 CD1 ILE A 55 6.470 -3.721 5.086 1.00 0.00 C ATOM 0 H ILE A 55 4.272 -5.255 2.834 1.00 0.00 H new ATOM 0 HA ILE A 55 6.080 -2.926 2.789 1.00 0.00 H new ATOM 0 HB ILE A 55 6.599 -5.867 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.875 -5.743 4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.607 -5.529 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.941 -5.241 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.288 -4.477 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.474 -3.524 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.391 -3.871 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.307 -3.056 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.548 -3.274 4.714 1.00 0.00 H new ATOM 757 N PHE A 56 6.657 -2.829 0.381 1.00 0.00 N ATOM 758 CA PHE A 56 6.862 -2.656 -1.048 1.00 0.00 C ATOM 759 C PHE A 56 8.057 -3.477 -1.534 1.00 0.00 C ATOM 760 O PHE A 56 7.991 -4.116 -2.584 1.00 0.00 O ATOM 761 CB PHE A 56 7.149 -1.171 -1.282 1.00 0.00 C ATOM 762 CG PHE A 56 7.858 -0.876 -2.605 1.00 0.00 C ATOM 763 CD1 PHE A 56 7.393 -1.420 -3.762 1.00 0.00 C ATOM 764 CD2 PHE A 56 8.952 -0.068 -2.625 1.00 0.00 C ATOM 765 CE1 PHE A 56 8.051 -1.146 -4.990 1.00 0.00 C ATOM 766 CE2 PHE A 56 9.610 0.206 -3.852 1.00 0.00 C ATOM 767 CZ PHE A 56 9.145 -0.338 -5.009 1.00 0.00 C ATOM 0 H PHE A 56 7.219 -2.215 0.970 1.00 0.00 H new ATOM 0 HA PHE A 56 5.980 -2.991 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.208 -0.621 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.761 -0.796 -0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.523 -2.060 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.320 0.365 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.683 -1.579 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.480 0.846 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.645 -0.128 -5.943 1.00 0.00 H new ATOM 776 N SER A 57 9.122 -3.435 -0.748 1.00 0.00 N ATOM 777 CA SER A 57 10.378 -4.043 -1.156 1.00 0.00 C ATOM 778 C SER A 57 10.997 -3.244 -2.305 1.00 0.00 C ATOM 779 O SER A 57 10.512 -3.296 -3.434 1.00 0.00 O ATOM 780 CB SER A 57 10.174 -5.501 -1.573 1.00 0.00 C ATOM 781 OG SER A 57 11.375 -6.260 -1.464 1.00 0.00 O ATOM 0 H SER A 57 9.142 -2.990 0.169 1.00 0.00 H new ATOM 0 HA SER A 57 11.058 -4.029 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.402 -5.952 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.814 -5.537 -2.601 1.00 0.00 H new ATOM 0 HG SER A 57 11.203 -7.185 -1.737 1.00 0.00 H new ATOM 786 N ASN A 58 12.060 -2.523 -1.977 1.00 0.00 N ATOM 787 CA ASN A 58 12.651 -1.591 -2.921 1.00 0.00 C ATOM 788 C ASN A 58 13.243 -2.369 -4.098 1.00 0.00 C ATOM 789 O ASN A 58 12.913 -2.100 -5.252 1.00 0.00 O ATOM 790 CB ASN A 58 13.779 -0.789 -2.269 1.00 0.00 C ATOM 791 CG ASN A 58 14.560 0.010 -3.315 1.00 0.00 C ATOM 792 OD1 ASN A 58 15.377 -0.515 -4.052 1.00 0.00 O ATOM 793 ND2 ASN A 58 14.262 1.307 -3.338 1.00 0.00 N ATOM 0 H ASN A 58 12.526 -2.566 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 58 11.869 -0.909 -3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.364 -0.111 -1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.454 -1.465 -1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.728 1.926 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.567 1.682 -2.692 1.00 0.00 H new ATOM 799 N ARG A 59 14.106 -3.317 -3.765 1.00 0.00 N ATOM 800 CA ARG A 59 14.763 -4.119 -4.783 1.00 0.00 C ATOM 801 C ARG A 59 15.537 -3.222 -5.750 1.00 0.00 C ATOM 802 O ARG A 59 16.728 -2.979 -5.559 1.00 0.00 O ATOM 803 CB ARG A 59 13.749 -4.950 -5.570 1.00 0.00 C ATOM 804 CG ARG A 59 13.347 -6.206 -4.792 1.00 0.00 C ATOM 805 CD ARG A 59 12.348 -7.048 -5.588 1.00 0.00 C ATOM 806 NE ARG A 59 12.930 -7.424 -6.896 1.00 0.00 N ATOM 807 CZ ARG A 59 12.206 -7.730 -7.980 1.00 0.00 C ATOM 808 NH1 ARG A 59 10.910 -8.047 -7.854 1.00 0.00 N ATOM 809 NH2 ARG A 59 12.778 -7.722 -9.193 1.00 0.00 N ATOM 0 H ARG A 59 14.365 -3.548 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 59 15.454 -4.794 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.864 -4.348 -5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.175 -5.235 -6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.234 -6.800 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.907 -5.921 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.087 -7.945 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.426 -6.487 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 59 13.946 -7.452 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.474 -8.055 -6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.359 -8.280 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.765 -7.483 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.226 -7.955 -10.019 1.00 0.00 H new ATOM 820 N GLU A 60 14.829 -2.753 -6.767 1.00 0.00 N ATOM 821 CA GLU A 60 15.468 -2.389 -8.020 1.00 0.00 C ATOM 822 C GLU A 60 16.163 -1.032 -7.887 1.00 0.00 C ATOM 823 O GLU A 60 17.009 -0.681 -8.708 1.00 0.00 O ATOM 824 CB GLU A 60 14.457 -2.377 -9.168 1.00 0.00 C ATOM 825 CG GLU A 60 13.846 -3.764 -9.374 1.00 0.00 C ATOM 826 CD GLU A 60 14.923 -4.793 -9.725 1.00 0.00 C ATOM 827 OE1 GLU A 60 15.741 -4.476 -10.616 1.00 0.00 O ATOM 828 OE2 GLU A 60 14.905 -5.872 -9.095 1.00 0.00 O ATOM 0 H GLU A 60 13.818 -2.617 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 60 16.223 -3.141 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.668 -1.656 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.947 -2.051 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.324 -4.073 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.104 -3.723 -10.171 1.00 0.00 H new ATOM 833 N GLY A 61 15.779 -0.306 -6.846 1.00 0.00 N ATOM 834 CA GLY A 61 16.346 1.008 -6.601 1.00 0.00 C ATOM 835 C GLY A 61 15.575 2.089 -7.361 1.00 0.00 C ATOM 836 O GLY A 61 16.146 3.105 -7.754 1.00 0.00 O ATOM 0 H GLY A 61 15.082 -0.604 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.324 1.224 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.392 1.019 -6.907 1.00 0.00 H new ATOM 840 N LYS A 62 14.287 1.834 -7.544 1.00 0.00 N ATOM 841 CA LYS A 62 13.408 2.818 -8.151 1.00 0.00 C ATOM 842 C LYS A 62 13.137 3.940 -7.147 1.00 0.00 C ATOM 843 O LYS A 62 13.118 5.115 -7.513 1.00 0.00 O ATOM 844 CB LYS A 62 12.139 2.148 -8.682 1.00 0.00 C ATOM 845 CG LYS A 62 12.469 1.161 -9.804 1.00 0.00 C ATOM 846 CD LYS A 62 11.220 0.394 -10.243 1.00 0.00 C ATOM 847 CE LYS A 62 10.706 -0.507 -9.117 1.00 0.00 C ATOM 848 NZ LYS A 62 10.145 -1.760 -9.671 1.00 0.00 N ATOM 0 H LYS A 62 13.832 0.960 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 62 13.886 3.273 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.632 1.626 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.450 2.907 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.888 1.698 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.231 0.459 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.441 1.098 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.449 -0.210 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.519 -0.739 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.942 0.018 -8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.863 -2.388 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.314 -1.539 -10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.864 -2.234 -10.255 1.00 0.00 H new ATOM 858 N LEU A 63 12.933 3.540 -5.900 1.00 0.00 N ATOM 859 CA LEU A 63 12.981 4.481 -4.795 1.00 0.00 C ATOM 860 C LEU A 63 14.404 4.535 -4.237 1.00 0.00 C ATOM 861 O LEU A 63 15.214 3.649 -4.504 1.00 0.00 O ATOM 862 CB LEU A 63 11.922 4.130 -3.748 1.00 0.00 C ATOM 863 CG LEU A 63 10.466 4.228 -4.206 1.00 0.00 C ATOM 864 CD1 LEU A 63 9.519 3.648 -3.153 1.00 0.00 C ATOM 865 CD2 LEU A 63 10.102 5.667 -4.574 1.00 0.00 C ATOM 0 H LEU A 63 12.734 2.576 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 63 12.736 5.486 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.105 3.113 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.057 4.788 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 63 10.351 3.627 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.490 3.730 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.762 2.599 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.629 4.201 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.062 5.708 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.238 6.310 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.746 6.010 -5.384 1.00 0.00 H new ATOM 876 N PRO A 64 14.673 5.613 -3.452 1.00 0.00 N ATOM 877 CA PRO A 64 15.951 5.744 -2.773 1.00 0.00 C ATOM 878 C PRO A 64 16.032 4.803 -1.569 1.00 0.00 C ATOM 879 O PRO A 64 15.076 4.092 -1.267 1.00 0.00 O ATOM 880 CB PRO A 64 16.043 7.212 -2.387 1.00 0.00 C ATOM 881 CG PRO A 64 14.622 7.748 -2.448 1.00 0.00 C ATOM 882 CD PRO A 64 13.771 6.730 -3.189 1.00 0.00 C ATOM 0 HA PRO A 64 16.793 5.458 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.462 7.328 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.695 7.756 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.233 7.912 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 64 14.599 8.710 -2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.917 6.416 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.374 7.145 -4.116 1.00 0.00 H new ATOM 887 N GLY A 65 17.184 4.830 -0.915 1.00 0.00 N ATOM 888 CA GLY A 65 17.311 4.228 0.401 1.00 0.00 C ATOM 889 C GLY A 65 18.615 3.436 0.518 1.00 0.00 C ATOM 890 O GLY A 65 19.311 3.230 -0.473 1.00 0.00 O ATOM 0 H GLY A 65 18.038 5.259 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.284 5.005 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.463 3.569 0.587 1.00 0.00 H new ATOM 894 N LYS A 66 18.905 3.013 1.740 1.00 0.00 N ATOM 895 CA LYS A 66 20.067 2.177 1.986 1.00 0.00 C ATOM 896 C LYS A 66 19.630 0.905 2.716 1.00 0.00 C ATOM 897 O LYS A 66 18.473 0.781 3.116 1.00 0.00 O ATOM 898 CB LYS A 66 21.149 2.967 2.725 1.00 0.00 C ATOM 899 CG LYS A 66 21.873 3.924 1.776 1.00 0.00 C ATOM 900 CD LYS A 66 22.991 3.205 1.017 1.00 0.00 C ATOM 901 CE LYS A 66 23.707 4.159 0.061 1.00 0.00 C ATOM 902 NZ LYS A 66 24.781 3.451 -0.672 1.00 0.00 N ATOM 0 H LYS A 66 18.355 3.234 2.570 1.00 0.00 H new ATOM 0 HA LYS A 66 20.518 1.866 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.699 3.531 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.867 2.278 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.161 4.346 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.291 4.756 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 66 23.707 2.789 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 66 22.575 2.368 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.992 4.579 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 66 24.130 4.994 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 25.257 4.114 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 25.472 3.071 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.370 2.669 -1.221 1.00 0.00 H new ATOM 912 N SER A 67 20.578 -0.008 2.866 1.00 0.00 N ATOM 913 CA SER A 67 20.329 -1.228 3.617 1.00 0.00 C ATOM 914 C SER A 67 20.037 -0.892 5.080 1.00 0.00 C ATOM 915 O SER A 67 20.958 -0.693 5.870 1.00 0.00 O ATOM 916 CB SER A 67 21.518 -2.186 3.519 1.00 0.00 C ATOM 917 OG SER A 67 22.747 -1.548 3.854 1.00 0.00 O ATOM 0 H SER A 67 21.519 0.072 2.481 1.00 0.00 H new ATOM 0 HA SER A 67 19.460 -1.724 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 67 21.356 -3.034 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.580 -2.584 2.506 1.00 0.00 H new ATOM 0 HG SER A 67 22.618 -0.984 4.645 1.00 0.00 H new ATOM 922 N GLY A 68 18.752 -0.839 5.397 1.00 0.00 N ATOM 923 CA GLY A 68 18.324 -0.449 6.730 1.00 0.00 C ATOM 924 C GLY A 68 16.968 0.258 6.686 1.00 0.00 C ATOM 925 O GLY A 68 16.061 -0.086 7.443 1.00 0.00 O ATOM 0 H GLY A 68 17.992 -1.060 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 68 18.258 -1.331 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.068 0.211 7.176 1.00 0.00 H new ATOM 929 N ARG A 69 16.872 1.230 5.793 1.00 0.00 N ATOM 930 CA ARG A 69 15.590 1.841 5.486 1.00 0.00 C ATOM 931 C ARG A 69 14.669 0.827 4.803 1.00 0.00 C ATOM 932 O ARG A 69 15.113 0.055 3.954 1.00 0.00 O ATOM 933 CB ARG A 69 15.763 3.057 4.574 1.00 0.00 C ATOM 934 CG ARG A 69 14.421 3.492 3.979 1.00 0.00 C ATOM 935 CD ARG A 69 14.590 4.726 3.091 1.00 0.00 C ATOM 936 NE ARG A 69 14.897 5.911 3.923 1.00 0.00 N ATOM 937 CZ ARG A 69 16.063 6.571 3.889 1.00 0.00 C ATOM 938 NH1 ARG A 69 17.188 5.927 3.550 1.00 0.00 N ATOM 939 NH2 ARG A 69 16.105 7.875 4.196 1.00 0.00 N ATOM 0 H ARG A 69 17.661 1.611 5.271 1.00 0.00 H new ATOM 0 HA ARG A 69 15.145 2.167 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.198 3.881 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.460 2.818 3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.996 2.675 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.717 3.711 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.392 4.559 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.679 4.900 2.519 1.00 0.00 H new ATOM 0 HE ARG A 69 14.176 6.246 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.157 4.934 3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.075 6.429 3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.249 8.366 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.993 8.377 4.170 1.00 0.00 H new ATOM 950 N THR A 70 13.405 0.863 5.199 1.00 0.00 N ATOM 951 CA THR A 70 12.395 0.045 4.551 1.00 0.00 C ATOM 952 C THR A 70 11.344 0.929 3.876 1.00 0.00 C ATOM 953 O THR A 70 11.227 2.112 4.193 1.00 0.00 O ATOM 954 CB THR A 70 11.809 -0.902 5.599 1.00 0.00 C ATOM 955 OG1 THR A 70 12.881 -1.113 6.514 1.00 0.00 O ATOM 956 CG2 THR A 70 11.521 -2.295 5.035 1.00 0.00 C ATOM 0 H THR A 70 13.058 1.446 5.961 1.00 0.00 H new ATOM 0 HA THR A 70 12.828 -0.558 3.753 1.00 0.00 H new ATOM 0 HB THR A 70 10.889 -0.476 5.999 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.587 -1.716 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.107 -2.927 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.805 -2.216 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.446 -2.736 4.665 1.00 0.00 H new ATOM 964 N TRP A 71 10.607 0.321 2.957 1.00 0.00 N ATOM 965 CA TRP A 71 9.526 1.020 2.284 1.00 0.00 C ATOM 966 C TRP A 71 8.228 0.260 2.558 1.00 0.00 C ATOM 967 O TRP A 71 8.229 -0.967 2.643 1.00 0.00 O ATOM 968 CB TRP A 71 9.822 1.178 0.791 1.00 0.00 C ATOM 969 CG TRP A 71 11.001 2.105 0.485 1.00 0.00 C ATOM 970 CD1 TRP A 71 12.291 1.776 0.336 1.00 0.00 C ATOM 971 CD2 TRP A 71 10.944 3.534 0.296 1.00 0.00 C ATOM 972 NE1 TRP A 71 13.067 2.885 0.065 1.00 0.00 N ATOM 973 CE2 TRP A 71 12.223 3.988 0.040 1.00 0.00 C ATOM 974 CE3 TRP A 71 9.849 4.415 0.338 1.00 0.00 C ATOM 975 CZ2 TRP A 71 12.526 5.335 -0.193 1.00 0.00 C ATOM 976 CZ3 TRP A 71 10.169 5.758 0.104 1.00 0.00 C ATOM 977 CH2 TRP A 71 11.451 6.231 -0.155 1.00 0.00 C ATOM 0 H TRP A 71 10.738 -0.647 2.663 1.00 0.00 H new ATOM 0 HA TRP A 71 9.423 2.034 2.670 1.00 0.00 H new ATOM 0 HB2 TRP A 71 10.026 0.195 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 71 8.932 1.563 0.293 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.675 0.770 0.418 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.075 2.893 -0.089 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.841 4.082 0.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.535 5.665 -0.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.364 6.477 0.126 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.616 7.284 -0.326 1.00 0.00 H new ATOM 987 N ARG A 72 7.150 1.020 2.688 1.00 0.00 N ATOM 988 CA ARG A 72 5.819 0.439 2.675 1.00 0.00 C ATOM 989 C ARG A 72 5.008 0.999 1.504 1.00 0.00 C ATOM 990 O ARG A 72 5.402 1.987 0.888 1.00 0.00 O ATOM 991 CB ARG A 72 5.078 0.727 3.983 1.00 0.00 C ATOM 992 CG ARG A 72 5.813 0.111 5.175 1.00 0.00 C ATOM 993 CD ARG A 72 5.052 0.366 6.479 1.00 0.00 C ATOM 994 NE ARG A 72 5.812 -0.183 7.623 1.00 0.00 N ATOM 995 CZ ARG A 72 6.834 0.448 8.219 1.00 0.00 C ATOM 996 NH1 ARG A 72 7.267 1.622 7.739 1.00 0.00 N ATOM 997 NH2 ARG A 72 7.422 -0.095 9.293 1.00 0.00 N ATOM 0 H ARG A 72 7.172 2.033 2.803 1.00 0.00 H new ATOM 0 HA ARG A 72 5.929 -0.640 2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.987 1.804 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.066 0.326 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.929 -0.962 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.816 0.533 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.896 1.436 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.066 -0.097 6.431 1.00 0.00 H new ATOM 0 HE ARG A 72 5.542 -1.099 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.819 2.035 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.044 2.103 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.092 -0.989 9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.199 0.385 9.746 1.00 0.00 H new ATOM 1008 N GLU A 73 3.888 0.342 1.233 1.00 0.00 N ATOM 1009 CA GLU A 73 2.990 0.796 0.185 1.00 0.00 C ATOM 1010 C GLU A 73 1.558 0.887 0.717 1.00 0.00 C ATOM 1011 O GLU A 73 1.226 0.267 1.726 1.00 0.00 O ATOM 1012 CB GLU A 73 3.064 -0.123 -1.036 1.00 0.00 C ATOM 1013 CG GLU A 73 2.980 -1.594 -0.621 1.00 0.00 C ATOM 1014 CD GLU A 73 2.821 -2.500 -1.844 1.00 0.00 C ATOM 1015 OE1 GLU A 73 3.358 -2.119 -2.906 1.00 0.00 O ATOM 1016 OE2 GLU A 73 2.165 -3.553 -1.688 1.00 0.00 O ATOM 0 H GLU A 73 3.583 -0.500 1.721 1.00 0.00 H new ATOM 0 HA GLU A 73 3.304 1.791 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.250 0.112 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.996 0.054 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.879 -1.873 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.137 -1.738 0.055 1.00 0.00 H new ATOM 1021 N ALA A 74 0.748 1.666 0.015 1.00 0.00 N ATOM 1022 CA ALA A 74 -0.663 1.766 0.342 1.00 0.00 C ATOM 1023 C ALA A 74 -1.458 2.062 -0.931 1.00 0.00 C ATOM 1024 O ALA A 74 -0.956 2.720 -1.842 1.00 0.00 O ATOM 1025 CB ALA A 74 -0.864 2.837 1.417 1.00 0.00 C ATOM 0 H ALA A 74 1.043 2.234 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.030 0.823 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.923 2.912 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.303 2.565 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.509 3.798 1.044 1.00 0.00 H new ATOM 1031 N ASP A 75 -2.685 1.562 -0.956 1.00 0.00 N ATOM 1032 CA ASP A 75 -3.520 1.684 -2.139 1.00 0.00 C ATOM 1033 C ASP A 75 -3.984 3.134 -2.281 1.00 0.00 C ATOM 1034 O ASP A 75 -4.495 3.724 -1.330 1.00 0.00 O ATOM 1035 CB ASP A 75 -4.763 0.798 -2.029 1.00 0.00 C ATOM 1036 CG ASP A 75 -4.481 -0.703 -1.936 1.00 0.00 C ATOM 1037 OD1 ASP A 75 -3.293 -1.046 -1.750 1.00 0.00 O ATOM 1038 OD2 ASP A 75 -5.459 -1.472 -2.052 1.00 0.00 O ATOM 0 H ASP A 75 -3.121 1.071 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.931 1.373 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.330 1.101 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.398 0.980 -2.896 1.00 0.00 H new ATOM 1042 N ILE A 76 -3.791 3.670 -3.478 1.00 0.00 N ATOM 1043 CA ILE A 76 -4.399 4.938 -3.838 1.00 0.00 C ATOM 1044 C ILE A 76 -5.529 4.691 -4.841 1.00 0.00 C ATOM 1045 O ILE A 76 -5.577 3.643 -5.481 1.00 0.00 O ATOM 1046 CB ILE A 76 -3.337 5.919 -4.339 1.00 0.00 C ATOM 1047 CG1 ILE A 76 -2.213 6.081 -3.312 1.00 0.00 C ATOM 1048 CG2 ILE A 76 -3.965 7.262 -4.718 1.00 0.00 C ATOM 1049 CD1 ILE A 76 -2.780 6.357 -1.919 1.00 0.00 C ATOM 0 H ILE A 76 -3.221 3.248 -4.211 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.846 5.408 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.891 5.506 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.604 5.177 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.558 6.899 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.188 7.940 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.700 7.110 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.455 7.694 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.961 6.468 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.368 7.274 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.415 5.526 -1.614 1.00 0.00 H new ATOM 1060 N ASN A 77 -6.410 5.676 -4.945 1.00 0.00 N ATOM 1061 CA ASN A 77 -7.307 5.759 -6.085 1.00 0.00 C ATOM 1062 C ASN A 77 -8.318 4.611 -6.017 1.00 0.00 C ATOM 1063 O ASN A 77 -9.135 4.445 -6.921 1.00 0.00 O ATOM 1064 CB ASN A 77 -6.538 5.634 -7.401 1.00 0.00 C ATOM 1065 CG ASN A 77 -5.827 6.945 -7.746 1.00 0.00 C ATOM 1066 OD1 ASN A 77 -4.611 7.016 -7.836 1.00 0.00 O ATOM 1067 ND2 ASN A 77 -6.647 7.974 -7.933 1.00 0.00 N ATOM 0 H ASN A 77 -6.521 6.423 -4.259 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.808 6.727 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.807 4.829 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.225 5.366 -8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.268 8.892 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.655 7.846 -7.843 1.00 0.00 H new ATOM 1073 N TYR A 78 -8.228 3.848 -4.937 1.00 0.00 N ATOM 1074 CA TYR A 78 -8.906 2.566 -4.869 1.00 0.00 C ATOM 1075 C TYR A 78 -10.392 2.747 -4.556 1.00 0.00 C ATOM 1076 O TYR A 78 -10.755 3.543 -3.691 1.00 0.00 O ATOM 1077 CB TYR A 78 -8.244 1.800 -3.721 1.00 0.00 C ATOM 1078 CG TYR A 78 -8.708 0.347 -3.595 1.00 0.00 C ATOM 1079 CD1 TYR A 78 -9.882 0.053 -2.932 1.00 0.00 C ATOM 1080 CD2 TYR A 78 -7.952 -0.669 -4.143 1.00 0.00 C ATOM 1081 CE1 TYR A 78 -10.319 -1.315 -2.812 1.00 0.00 C ATOM 1082 CE2 TYR A 78 -8.388 -2.037 -4.023 1.00 0.00 C ATOM 1083 CZ TYR A 78 -9.550 -2.291 -3.364 1.00 0.00 C ATOM 1084 OH TYR A 78 -9.961 -3.582 -3.251 1.00 0.00 O ATOM 0 H TYR A 78 -7.696 4.094 -4.102 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.830 2.041 -5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.163 1.815 -3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.450 2.319 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.473 0.848 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.033 -0.439 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.236 -1.559 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.806 -2.842 -4.447 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.999 -3.992 -4.140 1.00 0.00 H new ATOM 1093 N THR A 79 -11.212 1.995 -5.274 1.00 0.00 N ATOM 1094 CA THR A 79 -12.629 1.920 -4.959 1.00 0.00 C ATOM 1095 C THR A 79 -12.998 0.509 -4.498 1.00 0.00 C ATOM 1096 O THR A 79 -13.208 0.275 -3.308 1.00 0.00 O ATOM 1097 CB THR A 79 -13.412 2.382 -6.189 1.00 0.00 C ATOM 1098 OG1 THR A 79 -13.010 1.479 -7.216 1.00 0.00 O ATOM 1099 CG2 THR A 79 -12.954 3.751 -6.695 1.00 0.00 C ATOM 0 H THR A 79 -10.923 1.432 -6.074 1.00 0.00 H new ATOM 0 HA THR A 79 -12.885 2.577 -4.128 1.00 0.00 H new ATOM 0 HB THR A 79 -14.474 2.421 -5.949 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.472 1.705 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.542 4.031 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.094 4.494 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.900 3.704 -6.967 1.00 0.00 H new ATOM 1107 N SER A 80 -13.066 -0.396 -5.463 1.00 0.00 N ATOM 1108 CA SER A 80 -13.442 -1.769 -5.177 1.00 0.00 C ATOM 1109 C SER A 80 -12.796 -2.712 -6.194 1.00 0.00 C ATOM 1110 O SER A 80 -12.440 -2.293 -7.295 1.00 0.00 O ATOM 1111 CB SER A 80 -14.963 -1.938 -5.188 1.00 0.00 C ATOM 1112 OG SER A 80 -15.538 -1.515 -6.421 1.00 0.00 O ATOM 0 H SER A 80 -12.867 -0.204 -6.445 1.00 0.00 H new ATOM 0 HA SER A 80 -13.083 -2.020 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.213 -2.984 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.398 -1.364 -4.370 1.00 0.00 H new ATOM 0 HG SER A 80 -16.509 -1.640 -6.389 1.00 0.00 H new ATOM 1117 N GLY A 81 -12.663 -3.967 -5.790 1.00 0.00 N ATOM 1118 CA GLY A 81 -12.202 -5.002 -6.700 1.00 0.00 C ATOM 1119 C GLY A 81 -10.742 -5.367 -6.419 1.00 0.00 C ATOM 1120 O GLY A 81 -10.308 -5.363 -5.268 1.00 0.00 O ATOM 0 H GLY A 81 -12.867 -4.291 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.829 -5.888 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.303 -4.658 -7.729 1.00 0.00 H new ATOM 1124 N PHE A 82 -10.027 -5.675 -7.491 1.00 0.00 N ATOM 1125 CA PHE A 82 -8.631 -6.062 -7.372 1.00 0.00 C ATOM 1126 C PHE A 82 -7.765 -4.874 -6.948 1.00 0.00 C ATOM 1127 O PHE A 82 -8.250 -3.746 -6.868 1.00 0.00 O ATOM 1128 CB PHE A 82 -8.180 -6.539 -8.754 1.00 0.00 C ATOM 1129 CG PHE A 82 -8.568 -7.985 -9.070 1.00 0.00 C ATOM 1130 CD1 PHE A 82 -9.821 -8.270 -9.517 1.00 0.00 C ATOM 1131 CD2 PHE A 82 -7.661 -8.985 -8.905 1.00 0.00 C ATOM 1132 CE1 PHE A 82 -10.181 -9.613 -9.811 1.00 0.00 C ATOM 1133 CE2 PHE A 82 -8.021 -10.326 -9.200 1.00 0.00 C ATOM 1134 CZ PHE A 82 -9.274 -10.612 -9.646 1.00 0.00 C ATOM 0 H PHE A 82 -10.387 -5.665 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.525 -6.841 -6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.611 -5.884 -9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.097 -6.440 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.541 -7.476 -9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.667 -8.759 -8.549 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.176 -9.840 -10.166 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.300 -11.120 -9.070 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.548 -11.633 -9.869 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.500 -5.168 -6.687 1.00 0.00 N ATOM 1144 CA ARG A 83 -5.530 -4.121 -6.413 1.00 0.00 C ATOM 1145 C ARG A 83 -5.011 -3.523 -7.722 1.00 0.00 C ATOM 1146 O ARG A 83 -4.892 -4.225 -8.725 1.00 0.00 O ATOM 1147 CB ARG A 83 -4.350 -4.661 -5.603 1.00 0.00 C ATOM 1148 CG ARG A 83 -4.804 -5.134 -4.221 1.00 0.00 C ATOM 1149 CD ARG A 83 -4.206 -6.502 -3.884 1.00 0.00 C ATOM 1150 NE ARG A 83 -2.745 -6.487 -4.122 1.00 0.00 N ATOM 1151 CZ ARG A 83 -2.029 -7.566 -4.463 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -2.562 -8.790 -4.342 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -0.780 -7.423 -4.925 1.00 0.00 N ATOM 0 H ARG A 83 -6.124 -6.116 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.032 -3.348 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.884 -5.488 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.593 -3.884 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.503 -4.406 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.892 -5.192 -4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.411 -6.751 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.675 -7.274 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.253 -5.599 -4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.513 -8.900 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.016 -9.612 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.374 -6.492 -5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.235 -8.245 -5.185 1.00 0.00 H new ATOM 1164 N ASN A 84 -4.714 -2.233 -7.670 1.00 0.00 N ATOM 1165 CA ASN A 84 -4.517 -1.461 -8.885 1.00 0.00 C ATOM 1166 C ASN A 84 -3.028 -1.149 -9.050 1.00 0.00 C ATOM 1167 O ASN A 84 -2.184 -1.779 -8.415 1.00 0.00 O ATOM 1168 CB ASN A 84 -5.274 -0.133 -8.822 1.00 0.00 C ATOM 1169 CG ASN A 84 -4.765 0.735 -7.669 1.00 0.00 C ATOM 1170 OD1 ASN A 84 -4.016 0.296 -6.812 1.00 0.00 O ATOM 1171 ND2 ASN A 84 -5.213 1.986 -7.694 1.00 0.00 N ATOM 0 H ASN A 84 -4.605 -1.703 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.890 -2.050 -9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.156 0.402 -9.764 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.340 -0.324 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.932 2.643 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.838 2.289 -8.441 1.00 0.00 H new ATOM 1177 N SER A 85 -2.751 -0.176 -9.906 1.00 0.00 N ATOM 1178 CA SER A 85 -1.380 0.234 -10.154 1.00 0.00 C ATOM 1179 C SER A 85 -0.992 1.370 -9.205 1.00 0.00 C ATOM 1180 O SER A 85 0.123 1.399 -8.689 1.00 0.00 O ATOM 1181 CB SER A 85 -1.190 0.670 -11.608 1.00 0.00 C ATOM 1182 OG SER A 85 -1.895 -0.174 -12.515 1.00 0.00 O ATOM 0 H SER A 85 -3.453 0.340 -10.436 1.00 0.00 H new ATOM 0 HA SER A 85 -0.730 -0.621 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.535 1.697 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.128 0.660 -11.854 1.00 0.00 H new ATOM 0 HG SER A 85 -1.750 0.138 -13.433 1.00 0.00 H new ATOM 1187 N ASP A 86 -1.936 2.278 -9.005 1.00 0.00 N ATOM 1188 CA ASP A 86 -1.679 3.460 -8.199 1.00 0.00 C ATOM 1189 C ASP A 86 -1.427 3.038 -6.750 1.00 0.00 C ATOM 1190 O ASP A 86 -2.272 2.393 -6.132 1.00 0.00 O ATOM 1191 CB ASP A 86 -2.878 4.408 -8.214 1.00 0.00 C ATOM 1192 CG ASP A 86 -3.632 4.478 -9.544 1.00 0.00 C ATOM 1193 OD1 ASP A 86 -4.375 3.514 -9.827 1.00 0.00 O ATOM 1194 OD2 ASP A 86 -3.447 5.494 -10.249 1.00 0.00 O ATOM 0 H ASP A 86 -2.880 2.219 -9.387 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.811 3.971 -8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.575 4.100 -7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.533 5.409 -7.956 1.00 0.00 H new ATOM 1198 N ARG A 87 -0.262 3.422 -6.250 1.00 0.00 N ATOM 1199 CA ARG A 87 0.027 3.280 -4.832 1.00 0.00 C ATOM 1200 C ARG A 87 0.879 4.455 -4.344 1.00 0.00 C ATOM 1201 O ARG A 87 1.684 4.998 -5.099 1.00 0.00 O ATOM 1202 CB ARG A 87 0.766 1.972 -4.549 1.00 0.00 C ATOM 1203 CG ARG A 87 -0.191 0.779 -4.601 1.00 0.00 C ATOM 1204 CD ARG A 87 0.054 -0.172 -3.428 1.00 0.00 C ATOM 1205 NE ARG A 87 -0.861 -1.331 -3.517 1.00 0.00 N ATOM 1206 CZ ARG A 87 -0.978 -2.271 -2.568 1.00 0.00 C ATOM 1207 NH1 ARG A 87 -0.305 -2.147 -1.416 1.00 0.00 N ATOM 1208 NH2 ARG A 87 -1.768 -3.334 -2.772 1.00 0.00 N ATOM 0 H ARG A 87 0.493 3.831 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.924 3.269 -4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.563 1.835 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.238 2.022 -3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.221 1.134 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.060 0.244 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.089 -0.514 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.101 0.353 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.439 -1.421 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.296 -1.338 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.394 -2.862 -0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.280 -3.428 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.857 -4.049 -2.050 1.00 0.00 H new ATOM 1219 N ILE A 88 0.671 4.811 -3.085 1.00 0.00 N ATOM 1220 CA ILE A 88 1.569 5.734 -2.411 1.00 0.00 C ATOM 1221 C ILE A 88 2.649 4.940 -1.675 1.00 0.00 C ATOM 1222 O ILE A 88 2.345 3.980 -0.966 1.00 0.00 O ATOM 1223 CB ILE A 88 0.781 6.685 -1.508 1.00 0.00 C ATOM 1224 CG1 ILE A 88 1.622 7.907 -1.133 1.00 0.00 C ATOM 1225 CG2 ILE A 88 0.250 5.954 -0.273 1.00 0.00 C ATOM 1226 CD1 ILE A 88 0.832 8.862 -0.236 1.00 0.00 C ATOM 0 H ILE A 88 -0.106 4.477 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 88 2.078 6.369 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.083 7.047 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.528 7.586 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.936 8.428 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.306 6.653 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.408 5.143 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.086 5.545 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.453 9.722 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.061 9.200 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.540 8.345 0.678 1.00 0.00 H new ATOM 1237 N LEU A 89 3.888 5.368 -1.866 1.00 0.00 N ATOM 1238 CA LEU A 89 4.996 4.822 -1.101 1.00 0.00 C ATOM 1239 C LEU A 89 5.351 5.786 0.032 1.00 0.00 C ATOM 1240 O LEU A 89 5.327 7.002 -0.152 1.00 0.00 O ATOM 1241 CB LEU A 89 6.173 4.495 -2.022 1.00 0.00 C ATOM 1242 CG LEU A 89 5.974 3.311 -2.971 1.00 0.00 C ATOM 1243 CD1 LEU A 89 6.048 1.983 -2.215 1.00 0.00 C ATOM 1244 CD2 LEU A 89 4.668 3.452 -3.756 1.00 0.00 C ATOM 0 H LEU A 89 4.149 6.087 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 89 4.711 3.877 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.398 5.379 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.048 4.296 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 89 6.788 3.314 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.903 1.158 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.024 1.889 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.269 1.954 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.550 2.598 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.828 3.489 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.694 4.370 -4.343 1.00 0.00 H new ATOM 1255 N TYR A 90 5.673 5.207 1.180 1.00 0.00 N ATOM 1256 CA TYR A 90 6.257 5.973 2.267 1.00 0.00 C ATOM 1257 C TYR A 90 7.218 5.113 3.090 1.00 0.00 C ATOM 1258 O TYR A 90 6.877 3.998 3.483 1.00 0.00 O ATOM 1259 CB TYR A 90 5.088 6.403 3.156 1.00 0.00 C ATOM 1260 CG TYR A 90 4.210 5.245 3.631 1.00 0.00 C ATOM 1261 CD1 TYR A 90 3.288 4.679 2.774 1.00 0.00 C ATOM 1262 CD2 TYR A 90 4.339 4.766 4.920 1.00 0.00 C ATOM 1263 CE1 TYR A 90 2.461 3.589 3.223 1.00 0.00 C ATOM 1264 CE2 TYR A 90 3.512 3.676 5.369 1.00 0.00 C ATOM 1265 CZ TYR A 90 2.614 3.141 4.498 1.00 0.00 C ATOM 1266 OH TYR A 90 1.833 2.111 4.921 1.00 0.00 O ATOM 0 H TYR A 90 5.540 4.216 1.380 1.00 0.00 H new ATOM 0 HA TYR A 90 6.821 6.821 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.481 6.928 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.469 7.113 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.187 5.054 1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.060 5.209 5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.736 3.138 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.602 3.292 6.374 1.00 0.00 H new ATOM 0 HH TYR A 90 1.612 1.534 4.160 1.00 0.00 H new ATOM 1275 N SER A 91 8.399 5.663 3.327 1.00 0.00 N ATOM 1276 CA SER A 91 9.406 4.965 4.109 1.00 0.00 C ATOM 1277 C SER A 91 9.164 5.200 5.601 1.00 0.00 C ATOM 1278 O SER A 91 8.229 5.904 5.979 1.00 0.00 O ATOM 1279 CB SER A 91 10.816 5.419 3.722 1.00 0.00 C ATOM 1280 OG SER A 91 11.036 6.795 4.026 1.00 0.00 O ATOM 0 H SER A 91 8.682 6.584 2.992 1.00 0.00 H new ATOM 0 HA SER A 91 9.326 3.899 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.550 4.809 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.970 5.254 2.656 1.00 0.00 H new ATOM 0 HG SER A 91 11.972 6.927 4.285 1.00 0.00 H new ATOM 1285 N SER A 92 10.022 4.594 6.409 1.00 0.00 N ATOM 1286 CA SER A 92 9.960 4.787 7.848 1.00 0.00 C ATOM 1287 C SER A 92 10.252 6.250 8.194 1.00 0.00 C ATOM 1288 O SER A 92 9.625 6.818 9.085 1.00 0.00 O ATOM 1289 CB SER A 92 10.942 3.865 8.572 1.00 0.00 C ATOM 1290 OG SER A 92 12.161 3.710 7.849 1.00 0.00 O ATOM 0 H SER A 92 10.764 3.969 6.094 1.00 0.00 H new ATOM 0 HA SER A 92 8.954 4.535 8.182 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.156 4.269 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.481 2.888 8.719 1.00 0.00 H new ATOM 0 HG SER A 92 12.762 3.116 8.345 1.00 0.00 H new ATOM 1295 N ASP A 93 11.207 6.816 7.469 1.00 0.00 N ATOM 1296 CA ASP A 93 11.694 8.148 7.783 1.00 0.00 C ATOM 1297 C ASP A 93 10.823 9.186 7.073 1.00 0.00 C ATOM 1298 O ASP A 93 11.002 10.387 7.263 1.00 0.00 O ATOM 1299 CB ASP A 93 13.135 8.334 7.306 1.00 0.00 C ATOM 1300 CG ASP A 93 13.282 8.770 5.846 1.00 0.00 C ATOM 1301 OD1 ASP A 93 13.309 7.865 4.984 1.00 0.00 O ATOM 1302 OD2 ASP A 93 13.363 9.998 5.626 1.00 0.00 O ATOM 0 H ASP A 93 11.656 6.376 6.666 1.00 0.00 H new ATOM 0 HA ASP A 93 11.653 8.275 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.619 9.075 7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 93 13.672 7.396 7.445 1.00 0.00 H new ATOM 1306 N TRP A 94 9.898 8.683 6.267 1.00 0.00 N ATOM 1307 CA TRP A 94 8.881 9.534 5.672 1.00 0.00 C ATOM 1308 C TRP A 94 9.534 10.330 4.541 1.00 0.00 C ATOM 1309 O TRP A 94 9.376 11.547 4.462 1.00 0.00 O ATOM 1310 CB TRP A 94 8.225 10.426 6.729 1.00 0.00 C ATOM 1311 CG TRP A 94 7.691 9.662 7.943 1.00 0.00 C ATOM 1312 CD1 TRP A 94 8.163 9.670 9.197 1.00 0.00 C ATOM 1313 CD2 TRP A 94 6.554 8.773 7.966 1.00 0.00 C ATOM 1314 NE1 TRP A 94 7.417 8.854 10.023 1.00 0.00 N ATOM 1315 CE2 TRP A 94 6.408 8.291 9.250 1.00 0.00 C ATOM 1316 CE3 TRP A 94 5.679 8.388 6.935 1.00 0.00 C ATOM 1317 CZ2 TRP A 94 5.397 7.398 9.624 1.00 0.00 C ATOM 1318 CZ3 TRP A 94 4.674 7.495 7.325 1.00 0.00 C ATOM 1319 CH2 TRP A 94 4.513 7.000 8.614 1.00 0.00 C ATOM 0 H TRP A 94 9.832 7.697 6.013 1.00 0.00 H new ATOM 0 HA TRP A 94 8.072 8.934 5.254 1.00 0.00 H new ATOM 0 HB2 TRP A 94 8.951 11.165 7.068 1.00 0.00 H new ATOM 0 HB3 TRP A 94 7.404 10.975 6.268 1.00 0.00 H new ATOM 0 HD1 TRP A 94 9.019 10.243 9.521 1.00 0.00 H new ATOM 0 HE1 TRP A 94 7.577 8.694 11.018 1.00 0.00 H new ATOM 0 HE3 TRP A 94 5.775 8.752 5.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 5.304 7.036 10.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 3.974 7.167 6.571 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.710 6.312 8.835 1.00 0.00 H new ATOM 1329 N LEU A 95 10.252 9.610 3.692 1.00 0.00 N ATOM 1330 CA LEU A 95 10.263 9.917 2.272 1.00 0.00 C ATOM 1331 C LEU A 95 8.998 9.347 1.624 1.00 0.00 C ATOM 1332 O LEU A 95 8.659 8.184 1.833 1.00 0.00 O ATOM 1333 CB LEU A 95 11.560 9.426 1.626 1.00 0.00 C ATOM 1334 CG LEU A 95 12.828 10.192 2.004 1.00 0.00 C ATOM 1335 CD1 LEU A 95 14.079 9.359 1.716 1.00 0.00 C ATOM 1336 CD2 LEU A 95 12.874 11.555 1.308 1.00 0.00 C ATOM 0 H LEU A 95 10.831 8.814 3.960 1.00 0.00 H new ATOM 0 HA LEU A 95 10.246 10.995 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.700 8.378 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.442 9.469 0.543 1.00 0.00 H new ATOM 0 HG LEU A 95 12.806 10.379 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.967 9.927 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.043 8.436 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 95 14.120 9.119 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.786 12.079 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.861 11.412 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.008 12.145 1.606 1.00 0.00 H new ATOM 1347 N ILE A 96 8.337 10.194 0.847 1.00 0.00 N ATOM 1348 CA ILE A 96 7.076 9.816 0.232 1.00 0.00 C ATOM 1349 C ILE A 96 7.161 10.047 -1.278 1.00 0.00 C ATOM 1350 O ILE A 96 7.576 11.115 -1.724 1.00 0.00 O ATOM 1351 CB ILE A 96 5.913 10.550 0.901 1.00 0.00 C ATOM 1352 CG1 ILE A 96 5.956 10.375 2.421 1.00 0.00 C ATOM 1353 CG2 ILE A 96 4.572 10.106 0.311 1.00 0.00 C ATOM 1354 CD1 ILE A 96 4.634 10.806 3.060 1.00 0.00 C ATOM 0 H ILE A 96 8.651 11.140 0.630 1.00 0.00 H new ATOM 0 HA ILE A 96 6.882 8.754 0.382 1.00 0.00 H new ATOM 0 HB ILE A 96 6.018 11.615 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.159 9.332 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.774 10.965 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.762 10.643 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.554 10.324 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.444 9.035 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.691 10.672 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.446 11.856 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.822 10.198 2.661 1.00 0.00 H new ATOM 1365 N TYR A 97 6.762 9.026 -2.023 1.00 0.00 N ATOM 1366 CA TYR A 97 6.594 9.169 -3.459 1.00 0.00 C ATOM 1367 C TYR A 97 5.209 8.690 -3.899 1.00 0.00 C ATOM 1368 O TYR A 97 4.431 8.198 -3.084 1.00 0.00 O ATOM 1369 CB TYR A 97 7.657 8.275 -4.100 1.00 0.00 C ATOM 1370 CG TYR A 97 9.074 8.849 -4.035 1.00 0.00 C ATOM 1371 CD1 TYR A 97 9.784 8.803 -2.852 1.00 0.00 C ATOM 1372 CD2 TYR A 97 9.643 9.415 -5.158 1.00 0.00 C ATOM 1373 CE1 TYR A 97 11.117 9.343 -2.790 1.00 0.00 C ATOM 1374 CE2 TYR A 97 10.977 9.955 -5.096 1.00 0.00 C ATOM 1375 CZ TYR A 97 11.647 9.893 -3.915 1.00 0.00 C ATOM 1376 OH TYR A 97 12.907 10.402 -3.856 1.00 0.00 O ATOM 0 H TYR A 97 6.550 8.097 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 97 6.693 10.213 -3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.646 7.304 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.393 8.104 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.339 8.362 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.088 9.453 -6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.683 9.312 -1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.434 10.399 -5.968 1.00 0.00 H new ATOM 0 HH TYR A 97 13.156 10.761 -4.733 1.00 0.00 H new ATOM 1385 N LYS A 98 4.945 8.850 -5.187 1.00 0.00 N ATOM 1386 CA LYS A 98 3.765 8.253 -5.789 1.00 0.00 C ATOM 1387 C LYS A 98 4.178 7.451 -7.025 1.00 0.00 C ATOM 1388 O LYS A 98 5.272 7.639 -7.555 1.00 0.00 O ATOM 1389 CB LYS A 98 2.709 9.322 -6.075 1.00 0.00 C ATOM 1390 CG LYS A 98 3.239 10.367 -7.059 1.00 0.00 C ATOM 1391 CD LYS A 98 2.103 11.235 -7.602 1.00 0.00 C ATOM 1392 CE LYS A 98 1.509 10.631 -8.875 1.00 0.00 C ATOM 1393 NZ LYS A 98 0.298 11.374 -9.287 1.00 0.00 N ATOM 0 H LYS A 98 5.528 9.385 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 98 3.297 7.554 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.814 8.854 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.418 9.809 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.977 10.997 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.748 9.869 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.324 11.335 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.475 12.238 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.248 10.657 -9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.260 9.584 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.092 10.950 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.412 11.328 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.546 12.368 -9.469 1.00 0.00 H new ATOM 1403 N THR A 99 3.280 6.572 -7.449 1.00 0.00 N ATOM 1404 CA THR A 99 3.374 5.989 -8.776 1.00 0.00 C ATOM 1405 C THR A 99 1.998 5.511 -9.245 1.00 0.00 C ATOM 1406 O THR A 99 1.189 5.051 -8.442 1.00 0.00 O ATOM 1407 CB THR A 99 4.422 4.876 -8.731 1.00 0.00 C ATOM 1408 OG1 THR A 99 4.186 4.129 -9.922 1.00 0.00 O ATOM 1409 CG2 THR A 99 4.162 3.873 -7.606 1.00 0.00 C ATOM 0 H THR A 99 2.485 6.250 -6.897 1.00 0.00 H new ATOM 0 HA THR A 99 3.696 6.727 -9.511 1.00 0.00 H new ATOM 0 HB THR A 99 5.412 5.314 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.996 4.129 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.934 3.104 -7.618 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.180 4.390 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.186 3.409 -7.750 1.00 0.00 H new ATOM 1417 N THR A 100 1.775 5.635 -10.546 1.00 0.00 N ATOM 1418 CA THR A 100 0.487 5.288 -11.122 1.00 0.00 C ATOM 1419 C THR A 100 0.654 4.209 -12.193 1.00 0.00 C ATOM 1420 O THR A 100 -0.281 3.916 -12.935 1.00 0.00 O ATOM 1421 CB THR A 100 -0.157 6.573 -11.647 1.00 0.00 C ATOM 1422 OG1 THR A 100 0.895 7.223 -12.356 1.00 0.00 O ATOM 1423 CG2 THR A 100 -0.512 7.552 -10.526 1.00 0.00 C ATOM 0 H THR A 100 2.465 5.971 -11.217 1.00 0.00 H new ATOM 0 HA THR A 100 -0.178 4.856 -10.374 1.00 0.00 H new ATOM 0 HB THR A 100 -1.057 6.324 -12.209 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.564 8.066 -12.732 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.966 8.446 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.216 7.080 -9.840 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.393 7.828 -9.984 1.00 0.00 H new ATOM 1431 N ASP A 101 1.854 3.648 -12.241 1.00 0.00 N ATOM 1432 CA ASP A 101 2.310 2.957 -13.435 1.00 0.00 C ATOM 1433 C ASP A 101 2.793 1.556 -13.055 1.00 0.00 C ATOM 1434 O ASP A 101 3.495 0.906 -13.827 1.00 0.00 O ATOM 1435 CB ASP A 101 3.479 3.699 -14.087 1.00 0.00 C ATOM 1436 CG ASP A 101 4.546 4.207 -13.116 1.00 0.00 C ATOM 1437 OD1 ASP A 101 5.296 3.352 -12.598 1.00 0.00 O ATOM 1438 OD2 ASP A 101 4.587 5.440 -12.913 1.00 0.00 O ATOM 0 H ASP A 101 2.524 3.658 -11.472 1.00 0.00 H new ATOM 0 HA ASP A 101 1.477 2.908 -14.136 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.954 3.035 -14.809 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.084 4.548 -14.646 1.00 0.00 H new ATOM 1442 N HIS A 102 2.396 1.131 -11.863 1.00 0.00 N ATOM 1443 CA HIS A 102 2.815 -0.164 -11.353 1.00 0.00 C ATOM 1444 C HIS A 102 4.339 -0.197 -11.227 1.00 0.00 C ATOM 1445 O HIS A 102 5.005 -0.983 -11.899 1.00 0.00 O ATOM 1446 CB HIS A 102 2.267 -1.294 -12.227 1.00 0.00 C ATOM 1447 CG HIS A 102 2.455 -2.672 -11.637 1.00 0.00 C ATOM 1448 ND1 HIS A 102 3.599 -3.423 -11.837 1.00 0.00 N ATOM 1449 CD2 HIS A 102 1.633 -3.423 -10.851 1.00 0.00 C ATOM 1450 CE1 HIS A 102 3.461 -4.574 -11.197 1.00 0.00 C ATOM 1451 NE2 HIS A 102 2.241 -4.573 -10.586 1.00 0.00 N ATOM 0 H HIS A 102 1.789 1.660 -11.237 1.00 0.00 H new ATOM 0 HA HIS A 102 2.400 -0.319 -10.357 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.204 -1.125 -12.398 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.756 -1.257 -13.200 1.00 0.00 H new ATOM 0 HD1 HIS A 102 4.411 -3.139 -12.385 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.653 -3.132 -10.503 1.00 0.00 H new ATOM 0 HE1 HIS A 102 4.187 -5.373 -11.164 1.00 0.00 H new ATOM 1458 N TYR A 103 4.848 0.666 -10.360 1.00 0.00 N ATOM 1459 CA TYR A 103 6.199 0.507 -9.851 1.00 0.00 C ATOM 1460 C TYR A 103 7.217 0.486 -10.995 1.00 0.00 C ATOM 1461 O TYR A 103 8.147 -0.318 -10.987 1.00 0.00 O ATOM 1462 CB TYR A 103 6.225 -0.845 -9.136 1.00 0.00 C ATOM 1463 CG TYR A 103 5.110 -1.024 -8.103 1.00 0.00 C ATOM 1464 CD1 TYR A 103 5.060 -0.205 -6.994 1.00 0.00 C ATOM 1465 CD2 TYR A 103 4.156 -2.004 -8.282 1.00 0.00 C ATOM 1466 CE1 TYR A 103 4.011 -0.373 -6.022 1.00 0.00 C ATOM 1467 CE2 TYR A 103 3.106 -2.172 -7.310 1.00 0.00 C ATOM 1468 CZ TYR A 103 3.086 -1.348 -6.228 1.00 0.00 C ATOM 1469 OH TYR A 103 2.095 -1.508 -5.310 1.00 0.00 O ATOM 0 H TYR A 103 4.348 1.478 -9.997 1.00 0.00 H new ATOM 0 HA TYR A 103 6.460 1.334 -9.190 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.149 -1.639 -9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 103 7.188 -0.964 -8.640 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.807 0.562 -6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.196 -2.645 -9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.960 0.261 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.352 -2.935 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 103 2.488 -1.727 -4.439 1.00 0.00 H new ATOM 1478 N GLN A 104 7.003 1.378 -11.950 1.00 0.00 N ATOM 1479 CA GLN A 104 8.041 1.705 -12.915 1.00 0.00 C ATOM 1480 C GLN A 104 8.733 3.013 -12.527 1.00 0.00 C ATOM 1481 O GLN A 104 9.957 3.063 -12.420 1.00 0.00 O ATOM 1482 CB GLN A 104 7.468 1.786 -14.331 1.00 0.00 C ATOM 1483 CG GLN A 104 6.759 0.484 -14.710 1.00 0.00 C ATOM 1484 CD GLN A 104 6.302 0.515 -16.171 1.00 0.00 C ATOM 1485 OE1 GLN A 104 7.085 0.370 -17.096 1.00 0.00 O ATOM 1486 NE2 GLN A 104 4.996 0.712 -16.326 1.00 0.00 N ATOM 0 H GLN A 104 6.127 1.885 -12.077 1.00 0.00 H new ATOM 0 HA GLN A 104 8.784 0.907 -12.905 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.767 2.618 -14.397 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.270 1.988 -15.041 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.431 -0.360 -14.553 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.898 0.331 -14.059 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.397 0.826 -15.508 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.593 0.749 -17.262 1.00 0.00 H new ATOM 1493 N THR A 105 7.919 4.039 -12.327 1.00 0.00 N ATOM 1494 CA THR A 105 8.439 5.386 -12.166 1.00 0.00 C ATOM 1495 C THR A 105 7.683 6.121 -11.058 1.00 0.00 C ATOM 1496 O THR A 105 6.484 5.912 -10.876 1.00 0.00 O ATOM 1497 CB THR A 105 8.361 6.088 -13.523 1.00 0.00 C ATOM 1498 OG1 THR A 105 7.050 5.790 -13.993 1.00 0.00 O ATOM 1499 CG2 THR A 105 9.284 5.451 -14.566 1.00 0.00 C ATOM 0 H THR A 105 6.903 3.965 -12.273 1.00 0.00 H new ATOM 0 HA THR A 105 9.482 5.372 -11.850 1.00 0.00 H new ATOM 0 HB THR A 105 8.620 7.140 -13.403 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.406 5.909 -13.264 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.190 5.987 -15.511 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.316 5.504 -14.219 1.00 0.00 H new ATOM 0 HG23 THR A 105 9.004 4.408 -14.711 1.00 0.00 H new ATOM 1507 N PHE A 106 8.414 6.967 -10.348 1.00 0.00 N ATOM 1508 CA PHE A 106 7.865 7.629 -9.175 1.00 0.00 C ATOM 1509 C PHE A 106 8.144 9.132 -9.214 1.00 0.00 C ATOM 1510 O PHE A 106 9.035 9.584 -9.931 1.00 0.00 O ATOM 1511 CB PHE A 106 8.561 7.024 -7.954 1.00 0.00 C ATOM 1512 CG PHE A 106 8.369 5.512 -7.815 1.00 0.00 C ATOM 1513 CD1 PHE A 106 9.024 4.664 -8.652 1.00 0.00 C ATOM 1514 CD2 PHE A 106 7.545 5.016 -6.853 1.00 0.00 C ATOM 1515 CE1 PHE A 106 8.847 3.261 -8.523 1.00 0.00 C ATOM 1516 CE2 PHE A 106 7.367 3.613 -6.724 1.00 0.00 C ATOM 1517 CZ PHE A 106 8.022 2.766 -7.561 1.00 0.00 C ATOM 0 H PHE A 106 9.381 7.210 -10.561 1.00 0.00 H new ATOM 0 HA PHE A 106 6.785 7.488 -9.139 1.00 0.00 H new ATOM 0 HB2 PHE A 106 9.628 7.241 -8.012 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.185 7.512 -7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.679 5.058 -9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.026 5.689 -6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.367 2.587 -9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.712 3.219 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.888 1.699 -7.462 1.00 0.00 H new ATOM 1526 N THR A 107 7.366 9.866 -8.431 1.00 0.00 N ATOM 1527 CA THR A 107 7.621 11.283 -8.241 1.00 0.00 C ATOM 1528 C THR A 107 7.506 11.651 -6.760 1.00 0.00 C ATOM 1529 O THR A 107 6.596 11.192 -6.071 1.00 0.00 O ATOM 1530 CB THR A 107 6.657 12.063 -9.137 1.00 0.00 C ATOM 1531 OG1 THR A 107 7.063 11.726 -10.460 1.00 0.00 O ATOM 1532 CG2 THR A 107 6.872 13.576 -9.054 1.00 0.00 C ATOM 0 H THR A 107 6.559 9.505 -7.921 1.00 0.00 H new ATOM 0 HA THR A 107 8.639 11.543 -8.531 1.00 0.00 H new ATOM 0 HB THR A 107 5.630 11.828 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.489 12.188 -11.106 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.162 14.081 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.719 13.909 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.888 13.817 -9.366 1.00 0.00 H new ATOM 1540 N LYS A 108 8.441 12.478 -6.314 1.00 0.00 N ATOM 1541 CA LYS A 108 8.480 12.880 -4.917 1.00 0.00 C ATOM 1542 C LYS A 108 7.416 13.951 -4.671 1.00 0.00 C ATOM 1543 O LYS A 108 7.379 14.967 -5.364 1.00 0.00 O ATOM 1544 CB LYS A 108 9.893 13.315 -4.524 1.00 0.00 C ATOM 1545 CG LYS A 108 10.046 13.370 -3.003 1.00 0.00 C ATOM 1546 CD LYS A 108 11.296 14.158 -2.606 1.00 0.00 C ATOM 1547 CE LYS A 108 12.564 13.337 -2.850 1.00 0.00 C ATOM 1548 NZ LYS A 108 13.759 14.085 -2.400 1.00 0.00 N ATOM 0 H LYS A 108 9.177 12.880 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 108 8.240 12.036 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.621 12.619 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.108 14.295 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.164 13.834 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.108 12.358 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.343 15.084 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.236 14.436 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.499 12.389 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.653 13.101 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.611 13.514 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.828 14.979 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.679 14.289 -1.383 1.00 0.00 H new ATOM 1558 N ILE A 109 6.576 13.688 -3.681 1.00 0.00 N ATOM 1559 CA ILE A 109 5.495 14.604 -3.353 1.00 0.00 C ATOM 1560 C ILE A 109 5.789 15.271 -2.009 1.00 0.00 C ATOM 1561 O ILE A 109 5.076 16.185 -1.597 1.00 0.00 O ATOM 1562 CB ILE A 109 4.147 13.880 -3.400 1.00 0.00 C ATOM 1563 CG1 ILE A 109 4.128 12.695 -2.432 1.00 0.00 C ATOM 1564 CG2 ILE A 109 3.800 13.459 -4.829 1.00 0.00 C ATOM 1565 CD1 ILE A 109 2.702 12.181 -2.223 1.00 0.00 C ATOM 0 H ILE A 109 6.621 12.854 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 109 5.429 15.399 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 109 3.374 14.575 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.754 11.892 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.554 12.996 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.838 12.947 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.744 14.342 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.570 12.787 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.717 11.339 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.084 12.979 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.288 11.858 -3.178 1.00 0.00 H new ATOM 1576 N ARG A 110 6.839 14.788 -1.360 1.00 0.00 N ATOM 1577 CA ARG A 110 7.546 15.592 -0.378 1.00 0.00 C ATOM 1578 C ARG A 110 8.479 16.583 -1.075 1.00 0.00 C ATOM 1579 O ARG A 110 8.918 17.528 -0.462 1.00 0.00 O ATOM 1580 CB ARG A 110 8.365 14.711 0.568 1.00 0.00 C ATOM 1581 CG ARG A 110 7.451 13.917 1.506 1.00 0.00 C ATOM 1582 CD ARG A 110 7.183 14.695 2.796 1.00 0.00 C ATOM 1583 NE ARG A 110 6.036 15.612 2.605 1.00 0.00 N ATOM 1584 CZ ARG A 110 6.104 16.941 2.756 1.00 0.00 C ATOM 1585 NH1 ARG A 110 7.267 17.579 2.563 1.00 0.00 N ATOM 1586 NH2 ARG A 110 5.010 17.633 3.100 1.00 0.00 N ATOM 0 H ARG A 110 7.217 13.850 -1.495 1.00 0.00 H new ATOM 0 HA ARG A 110 6.801 16.136 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.982 14.025 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.043 15.332 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.508 13.701 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.912 12.958 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.974 14.002 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.070 15.262 3.079 1.00 0.00 H new ATOM 0 HE ARG A 110 5.138 15.206 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.100 17.052 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.319 18.591 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.125 17.148 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.062 18.645 3.215 1.00 0.00 H new TER 1597 ARG A 110