USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=30 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= 0.171 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= -0.436 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.309 K(o=0.31,f=-5.5!) USER MOD Single : A 5 ASN : amide:sc= -0.459 K(o=-0.46,f=-5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0845 K(o=0.085,f=-0.47) USER MOD Single : A 16 THR OG1 : rot 82:sc= 0.698 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00967 X(o=-0.0097,f=-0.087) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 1.03 (180deg=0.564) USER MOD Single : A 23 ASN : amide:sc= -0.856 K(o=-0.86,f=-10!) USER MOD Single : A 24 TYR OH : rot -79:sc= -0.765 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 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.679 K(o=0.68,f=-9.9!) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0523) USER MOD Single : A 50 SER OG : rot -51:sc= 1.35 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0925 X(o=-0.092,f=-0.35) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0.925 (180deg=0.923) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0559) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 77 ASN : amide:sc= -1.99! C(o=-2!,f=-4.3!) USER MOD Single : A 78 TYR OH : rot 115:sc= 0.744 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.35! C(o=-1.3!,f=-5.4!) USER MOD Single : A 85 SER OG : rot 120:sc= 0.109 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 91 SER OG : rot 123:sc= 1.56 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= -0.0119 (180deg=-0.171) USER MOD Single : A 99 THR OG1 : rot 85:sc= 0.603 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot -30:sc= -0.413 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 35:sc= 0.181 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.130 13.140 5.644 1.00 0.00 N ATOM 2 CA ALA A 1 -16.661 13.451 4.328 1.00 0.00 C ATOM 3 C ALA A 1 -16.478 12.242 3.409 1.00 0.00 C ATOM 4 O ALA A 1 -17.452 11.698 2.890 1.00 0.00 O ATOM 5 CB ALA A 1 -15.975 14.706 3.784 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.253 13.961 6.271 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.638 12.323 6.039 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.118 12.913 5.565 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.729 13.662 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.373 14.939 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.161 15.543 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.902 14.531 3.710 1.00 0.00 H new ATOM 11 N GLN A 2 -15.222 11.855 3.235 1.00 0.00 N ATOM 12 CA GLN A 2 -14.900 10.712 2.399 1.00 0.00 C ATOM 13 C GLN A 2 -13.733 9.928 3.000 1.00 0.00 C ATOM 14 O GLN A 2 -13.018 10.434 3.865 1.00 0.00 O ATOM 15 CB GLN A 2 -14.588 11.150 0.967 1.00 0.00 C ATOM 16 CG GLN A 2 -15.790 10.924 0.050 1.00 0.00 C ATOM 17 CD GLN A 2 -16.051 9.430 -0.155 1.00 0.00 C ATOM 18 OE1 GLN A 2 -15.252 8.580 0.202 1.00 0.00 O ATOM 19 NE2 GLN A 2 -17.211 9.159 -0.747 1.00 0.00 N ATOM 0 H GLN A 2 -14.416 12.314 3.659 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.771 10.057 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.312 12.204 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.730 10.593 0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.674 11.395 0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.611 11.401 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.834 9.919 -1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -17.478 8.191 -0.927 1.00 0.00 H new ATOM 26 N VAL A 3 -13.573 8.703 2.518 1.00 0.00 N ATOM 27 CA VAL A 3 -12.490 7.852 2.980 1.00 0.00 C ATOM 28 C VAL A 3 -11.155 8.431 2.508 1.00 0.00 C ATOM 29 O VAL A 3 -11.090 9.081 1.465 1.00 0.00 O ATOM 30 CB VAL A 3 -12.718 6.414 2.510 1.00 0.00 C ATOM 31 CG1 VAL A 3 -11.387 5.698 2.272 1.00 0.00 C ATOM 32 CG2 VAL A 3 -13.584 5.642 3.508 1.00 0.00 C ATOM 0 H VAL A 3 -14.176 8.280 1.812 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.465 7.824 4.069 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.253 6.452 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.577 4.678 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.819 6.229 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.815 5.676 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.731 4.623 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.088 5.618 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.551 6.135 3.608 1.00 0.00 H new ATOM 42 N ILE A 4 -10.122 8.174 3.298 1.00 0.00 N ATOM 43 CA ILE A 4 -8.822 8.772 3.047 1.00 0.00 C ATOM 44 C ILE A 4 -7.931 7.760 2.323 1.00 0.00 C ATOM 45 O ILE A 4 -7.251 6.959 2.960 1.00 0.00 O ATOM 46 CB ILE A 4 -8.217 9.303 4.349 1.00 0.00 C ATOM 47 CG1 ILE A 4 -9.202 10.219 5.077 1.00 0.00 C ATOM 48 CG2 ILE A 4 -6.876 9.994 4.088 1.00 0.00 C ATOM 49 CD1 ILE A 4 -9.311 11.575 4.378 1.00 0.00 C ATOM 0 H ILE A 4 -10.159 7.560 4.112 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.920 9.637 2.391 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.020 8.456 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.183 9.746 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.877 10.362 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.467 10.362 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.180 9.282 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.025 10.830 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.018 12.206 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.333 12.056 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.660 11.430 3.356 1.00 0.00 H new ATOM 60 N ASN A 5 -7.963 7.833 1.000 1.00 0.00 N ATOM 61 CA ASN A 5 -7.217 6.892 0.182 1.00 0.00 C ATOM 62 C ASN A 5 -6.745 7.596 -1.093 1.00 0.00 C ATOM 63 O ASN A 5 -6.587 6.960 -2.135 1.00 0.00 O ATOM 64 CB ASN A 5 -8.091 5.706 -0.229 1.00 0.00 C ATOM 65 CG ASN A 5 -9.306 6.171 -1.034 1.00 0.00 C ATOM 66 OD1 ASN A 5 -9.586 7.352 -1.157 1.00 0.00 O ATOM 67 ND2 ASN A 5 -10.009 5.180 -1.575 1.00 0.00 N ATOM 0 H ASN A 5 -8.493 8.528 0.475 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.372 6.531 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.504 5.006 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.423 5.170 0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.838 5.388 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.719 4.212 -1.433 1.00 0.00 H new ATOM 73 N THR A 6 -6.535 8.898 -0.969 1.00 0.00 N ATOM 74 CA THR A 6 -5.945 9.667 -2.051 1.00 0.00 C ATOM 75 C THR A 6 -4.449 9.873 -1.806 1.00 0.00 C ATOM 76 O THR A 6 -3.976 9.731 -0.680 1.00 0.00 O ATOM 77 CB THR A 6 -6.726 10.976 -2.181 1.00 0.00 C ATOM 78 OG1 THR A 6 -6.987 11.360 -0.833 1.00 0.00 O ATOM 79 CG2 THR A 6 -8.117 10.771 -2.785 1.00 0.00 C ATOM 0 H THR A 6 -6.763 9.440 -0.135 1.00 0.00 H new ATOM 0 HA THR A 6 -6.016 9.134 -2.999 1.00 0.00 H new ATOM 0 HB THR A 6 -6.162 11.675 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.489 12.202 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.628 11.731 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.021 10.338 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.694 10.098 -2.150 1.00 0.00 H new ATOM 87 N PHE A 7 -3.746 10.205 -2.880 1.00 0.00 N ATOM 88 CA PHE A 7 -2.305 10.377 -2.807 1.00 0.00 C ATOM 89 C PHE A 7 -1.933 11.470 -1.803 1.00 0.00 C ATOM 90 O PHE A 7 -1.140 11.238 -0.892 1.00 0.00 O ATOM 91 CB PHE A 7 -1.834 10.798 -4.200 1.00 0.00 C ATOM 92 CG PHE A 7 -1.557 9.626 -5.144 1.00 0.00 C ATOM 93 CD1 PHE A 7 -0.581 8.728 -4.844 1.00 0.00 C ATOM 94 CD2 PHE A 7 -2.287 9.483 -6.282 1.00 0.00 C ATOM 95 CE1 PHE A 7 -0.323 7.641 -5.721 1.00 0.00 C ATOM 96 CE2 PHE A 7 -2.029 8.396 -7.158 1.00 0.00 C ATOM 97 CZ PHE A 7 -1.053 7.497 -6.859 1.00 0.00 C ATOM 0 H PHE A 7 -4.148 10.359 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.835 9.449 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.590 11.442 -4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.927 11.394 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.002 8.841 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.063 10.196 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.453 6.929 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.608 8.283 -8.063 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.858 6.669 -7.525 1.00 0.00 H new ATOM 106 N ASP A 8 -2.524 12.639 -2.003 1.00 0.00 N ATOM 107 CA ASP A 8 -2.118 13.820 -1.263 1.00 0.00 C ATOM 108 C ASP A 8 -2.678 13.744 0.159 1.00 0.00 C ATOM 109 O ASP A 8 -2.023 14.162 1.112 1.00 0.00 O ATOM 110 CB ASP A 8 -2.657 15.094 -1.916 1.00 0.00 C ATOM 111 CG ASP A 8 -2.251 15.294 -3.377 1.00 0.00 C ATOM 112 OD1 ASP A 8 -2.841 14.598 -4.231 1.00 0.00 O ATOM 113 OD2 ASP A 8 -1.358 16.139 -3.607 1.00 0.00 O ATOM 0 H ASP A 8 -3.282 12.793 -2.668 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.029 13.853 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.745 15.083 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.315 15.953 -1.339 1.00 0.00 H new ATOM 117 N GLY A 9 -3.885 13.206 0.256 1.00 0.00 N ATOM 118 CA GLY A 9 -4.579 13.150 1.532 1.00 0.00 C ATOM 119 C GLY A 9 -3.890 12.174 2.488 1.00 0.00 C ATOM 120 O GLY A 9 -3.769 12.449 3.681 1.00 0.00 O ATOM 0 H GLY A 9 -4.400 12.805 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.607 14.144 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.613 12.842 1.375 1.00 0.00 H new ATOM 124 N VAL A 10 -3.455 11.054 1.929 1.00 0.00 N ATOM 125 CA VAL A 10 -2.789 10.033 2.718 1.00 0.00 C ATOM 126 C VAL A 10 -1.393 10.525 3.106 1.00 0.00 C ATOM 127 O VAL A 10 -0.929 10.277 4.217 1.00 0.00 O ATOM 128 CB VAL A 10 -2.765 8.710 1.950 1.00 0.00 C ATOM 129 CG1 VAL A 10 -1.849 7.694 2.637 1.00 0.00 C ATOM 130 CG2 VAL A 10 -4.177 8.149 1.781 1.00 0.00 C ATOM 0 H VAL A 10 -3.551 10.832 0.938 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.337 9.846 3.642 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.362 8.906 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.850 6.762 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.835 8.091 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.209 7.505 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.132 7.209 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.619 7.975 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.788 8.863 1.228 1.00 0.00 H new ATOM 140 N ALA A 11 -0.761 11.214 2.166 1.00 0.00 N ATOM 141 CA ALA A 11 0.551 11.787 2.413 1.00 0.00 C ATOM 142 C ALA A 11 0.490 12.675 3.657 1.00 0.00 C ATOM 143 O ALA A 11 1.303 12.529 4.569 1.00 0.00 O ATOM 144 CB ALA A 11 1.016 12.554 1.173 1.00 0.00 C ATOM 0 H ALA A 11 -1.134 11.388 1.233 1.00 0.00 H new ATOM 0 HA ALA A 11 1.282 11.001 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.000 12.984 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.072 11.873 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.307 13.352 0.952 1.00 0.00 H new ATOM 150 N ASP A 12 -0.484 13.575 3.656 1.00 0.00 N ATOM 151 CA ASP A 12 -0.599 14.552 4.725 1.00 0.00 C ATOM 152 C ASP A 12 -0.868 13.828 6.045 1.00 0.00 C ATOM 153 O ASP A 12 -0.289 14.172 7.075 1.00 0.00 O ATOM 154 CB ASP A 12 -1.762 15.513 4.468 1.00 0.00 C ATOM 155 CG ASP A 12 -1.994 16.555 5.564 1.00 0.00 C ATOM 156 OD1 ASP A 12 -1.090 17.400 5.745 1.00 0.00 O ATOM 157 OD2 ASP A 12 -3.070 16.483 6.196 1.00 0.00 O ATOM 0 H ASP A 12 -1.199 13.647 2.933 1.00 0.00 H new ATOM 0 HA ASP A 12 0.333 15.116 4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.583 16.032 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.674 14.930 4.343 1.00 0.00 H new ATOM 161 N TYR A 13 -1.747 12.839 5.973 1.00 0.00 N ATOM 162 CA TYR A 13 -2.185 12.139 7.169 1.00 0.00 C ATOM 163 C TYR A 13 -1.023 11.389 7.823 1.00 0.00 C ATOM 164 O TYR A 13 -0.992 11.226 9.042 1.00 0.00 O ATOM 165 CB TYR A 13 -3.233 11.126 6.704 1.00 0.00 C ATOM 166 CG TYR A 13 -4.017 10.474 7.844 1.00 0.00 C ATOM 167 CD1 TYR A 13 -3.479 9.401 8.526 1.00 0.00 C ATOM 168 CD2 TYR A 13 -5.262 10.957 8.191 1.00 0.00 C ATOM 169 CE1 TYR A 13 -4.216 8.787 9.600 1.00 0.00 C ATOM 170 CE2 TYR A 13 -6.000 10.342 9.264 1.00 0.00 C ATOM 171 CZ TYR A 13 -5.441 9.288 9.916 1.00 0.00 C ATOM 172 OH TYR A 13 -6.138 8.708 10.929 1.00 0.00 O ATOM 0 H TYR A 13 -2.168 12.506 5.105 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.579 12.842 7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.933 11.625 6.034 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.738 10.346 6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.505 9.022 8.254 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.683 11.796 7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.806 7.948 10.142 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.976 10.710 9.545 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.994 9.170 11.044 1.00 0.00 H new ATOM 181 N LEU A 14 -0.094 10.953 6.984 1.00 0.00 N ATOM 182 CA LEU A 14 1.096 10.279 7.471 1.00 0.00 C ATOM 183 C LEU A 14 1.978 11.284 8.214 1.00 0.00 C ATOM 184 O LEU A 14 2.396 11.034 9.344 1.00 0.00 O ATOM 185 CB LEU A 14 1.813 9.563 6.324 1.00 0.00 C ATOM 186 CG LEU A 14 1.128 8.304 5.788 1.00 0.00 C ATOM 187 CD1 LEU A 14 1.642 7.954 4.391 1.00 0.00 C ATOM 188 CD2 LEU A 14 1.283 7.137 6.766 1.00 0.00 C ATOM 0 H LEU A 14 -0.142 11.054 5.970 1.00 0.00 H new ATOM 0 HA LEU A 14 0.827 9.500 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.932 10.267 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.814 9.293 6.660 1.00 0.00 H new ATOM 0 HG LEU A 14 0.061 8.507 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.139 7.056 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.437 8.780 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.717 7.776 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.787 6.255 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.342 6.923 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.831 7.401 7.722 1.00 0.00 H new ATOM 199 N GLN A 15 2.238 12.401 7.550 1.00 0.00 N ATOM 200 CA GLN A 15 3.070 13.442 8.129 1.00 0.00 C ATOM 201 C GLN A 15 2.516 13.865 9.492 1.00 0.00 C ATOM 202 O GLN A 15 3.277 14.224 10.390 1.00 0.00 O ATOM 203 CB GLN A 15 3.184 14.641 7.187 1.00 0.00 C ATOM 204 CG GLN A 15 3.906 14.256 5.895 1.00 0.00 C ATOM 205 CD GLN A 15 4.097 15.474 4.989 1.00 0.00 C ATOM 206 OE1 GLN A 15 4.363 16.577 5.437 1.00 0.00 O ATOM 207 NE2 GLN A 15 3.946 15.214 3.693 1.00 0.00 N ATOM 0 H GLN A 15 1.886 12.608 6.615 1.00 0.00 H new ATOM 0 HA GLN A 15 4.073 13.041 8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.189 15.020 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.724 15.448 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.876 13.820 6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.334 13.493 5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.723 14.267 3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.053 15.961 3.007 1.00 0.00 H new ATOM 214 N THR A 16 1.197 13.810 9.603 1.00 0.00 N ATOM 215 CA THR A 16 0.536 14.162 10.848 1.00 0.00 C ATOM 216 C THR A 16 0.771 13.078 11.902 1.00 0.00 C ATOM 217 O THR A 16 1.586 13.254 12.807 1.00 0.00 O ATOM 218 CB THR A 16 -0.944 14.404 10.544 1.00 0.00 C ATOM 219 OG1 THR A 16 -0.935 15.467 9.596 1.00 0.00 O ATOM 220 CG2 THR A 16 -1.701 14.979 11.743 1.00 0.00 C ATOM 0 H THR A 16 0.568 13.527 8.851 1.00 0.00 H new ATOM 0 HA THR A 16 0.950 15.077 11.271 1.00 0.00 H new ATOM 0 HB THR A 16 -1.409 13.467 10.236 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.768 15.105 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.746 15.132 11.474 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.640 14.283 12.580 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.257 15.932 12.030 1.00 0.00 H new ATOM 228 N TYR A 17 0.042 11.982 11.750 1.00 0.00 N ATOM 229 CA TYR A 17 -0.112 11.030 12.837 1.00 0.00 C ATOM 230 C TYR A 17 0.975 9.954 12.781 1.00 0.00 C ATOM 231 O TYR A 17 1.144 9.188 13.729 1.00 0.00 O ATOM 232 CB TYR A 17 -1.477 10.370 12.628 1.00 0.00 C ATOM 233 CG TYR A 17 -2.654 11.346 12.679 1.00 0.00 C ATOM 234 CD1 TYR A 17 -3.047 11.891 13.883 1.00 0.00 C ATOM 235 CD2 TYR A 17 -3.322 11.681 11.519 1.00 0.00 C ATOM 236 CE1 TYR A 17 -4.155 12.809 13.931 1.00 0.00 C ATOM 237 CE2 TYR A 17 -4.430 12.600 11.565 1.00 0.00 C ATOM 238 CZ TYR A 17 -4.792 13.118 12.770 1.00 0.00 C ATOM 239 OH TYR A 17 -5.839 13.986 12.814 1.00 0.00 O ATOM 0 H TYR A 17 -0.448 11.732 10.891 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.033 11.532 13.801 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.480 9.863 11.663 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.620 9.604 13.391 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.523 11.629 14.791 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.014 11.254 10.576 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.473 13.242 14.868 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.961 12.871 10.665 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.196 14.114 11.910 1.00 0.00 H new ATOM 248 N HIS A 18 1.684 9.931 11.663 1.00 0.00 N ATOM 249 CA HIS A 18 2.794 9.008 11.499 1.00 0.00 C ATOM 250 C HIS A 18 2.267 7.573 11.464 1.00 0.00 C ATOM 251 O HIS A 18 2.893 6.664 12.006 1.00 0.00 O ATOM 252 CB HIS A 18 3.847 9.226 12.588 1.00 0.00 C ATOM 253 CG HIS A 18 4.225 10.674 12.796 1.00 0.00 C ATOM 254 ND1 HIS A 18 4.352 11.242 14.051 1.00 0.00 N ATOM 255 CD2 HIS A 18 4.502 11.660 11.896 1.00 0.00 C ATOM 256 CE1 HIS A 18 4.690 12.514 13.901 1.00 0.00 C ATOM 257 NE2 HIS A 18 4.782 12.772 12.565 1.00 0.00 N ATOM 0 H HIS A 18 1.512 10.537 10.861 1.00 0.00 H new ATOM 0 HA HIS A 18 3.293 9.199 10.549 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.472 8.820 13.528 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.743 8.661 12.331 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.495 11.554 10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.863 13.223 14.697 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.026 13.671 12.149 1.00 0.00 H new ATOM 264 N LYS A 19 1.121 7.413 10.818 1.00 0.00 N ATOM 265 CA LYS A 19 0.578 6.087 10.575 1.00 0.00 C ATOM 266 C LYS A 19 -0.522 6.179 9.514 1.00 0.00 C ATOM 267 O LYS A 19 -0.921 7.274 9.121 1.00 0.00 O ATOM 268 CB LYS A 19 0.116 5.449 11.885 1.00 0.00 C ATOM 269 CG LYS A 19 -0.853 6.368 12.632 1.00 0.00 C ATOM 270 CD LYS A 19 -1.272 5.753 13.969 1.00 0.00 C ATOM 271 CE LYS A 19 -0.225 6.029 15.051 1.00 0.00 C ATOM 272 NZ LYS A 19 -0.300 7.439 15.495 1.00 0.00 N ATOM 0 H LYS A 19 0.554 8.179 10.456 1.00 0.00 H new ATOM 0 HA LYS A 19 1.349 5.425 10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.369 4.495 11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.980 5.237 12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.382 7.336 12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.735 6.548 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.234 6.162 14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.406 4.677 13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.387 5.365 15.900 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.772 5.815 14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.105 7.525 16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.236 8.039 14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.294 7.745 15.512 1.00 0.00 H new ATOM 282 N LEU A 20 -0.979 5.013 9.080 1.00 0.00 N ATOM 283 CA LEU A 20 -2.092 4.946 8.148 1.00 0.00 C ATOM 284 C LEU A 20 -3.374 5.386 8.859 1.00 0.00 C ATOM 285 O LEU A 20 -3.390 5.536 10.080 1.00 0.00 O ATOM 286 CB LEU A 20 -2.183 3.554 7.522 1.00 0.00 C ATOM 287 CG LEU A 20 -0.949 3.083 6.750 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.054 1.598 6.401 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.715 3.949 5.510 1.00 0.00 C ATOM 0 H LEU A 20 -0.599 4.108 9.356 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.935 5.634 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.388 2.834 8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.038 3.537 6.846 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.078 3.201 7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.164 1.289 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.136 1.014 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.937 1.431 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.168 3.593 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.583 3.886 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.563 4.985 5.813 1.00 0.00 H new ATOM 300 N PRO A 21 -4.443 5.588 8.043 1.00 0.00 N ATOM 301 CA PRO A 21 -5.800 5.407 8.530 1.00 0.00 C ATOM 302 C PRO A 21 -6.140 3.921 8.667 1.00 0.00 C ATOM 303 O PRO A 21 -5.653 3.095 7.897 1.00 0.00 O ATOM 304 CB PRO A 21 -6.679 6.127 7.521 1.00 0.00 C ATOM 305 CG PRO A 21 -5.834 6.284 6.268 1.00 0.00 C ATOM 306 CD PRO A 21 -4.389 5.991 6.642 1.00 0.00 C ATOM 0 HA PRO A 21 -5.946 5.816 9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.583 5.555 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.996 7.098 7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.173 5.600 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.928 7.294 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.971 5.201 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.759 6.870 6.507 1.00 0.00 H new ATOM 311 N ASP A 22 -6.974 3.627 9.653 1.00 0.00 N ATOM 312 CA ASP A 22 -7.412 2.260 9.881 1.00 0.00 C ATOM 313 C ASP A 22 -8.551 1.926 8.917 1.00 0.00 C ATOM 314 O ASP A 22 -9.604 1.447 9.336 1.00 0.00 O ATOM 315 CB ASP A 22 -7.931 2.078 11.308 1.00 0.00 C ATOM 316 CG ASP A 22 -8.247 0.634 11.702 1.00 0.00 C ATOM 317 OD1 ASP A 22 -7.318 -0.196 11.612 1.00 0.00 O ATOM 318 OD2 ASP A 22 -9.412 0.393 12.086 1.00 0.00 O ATOM 0 H ASP A 22 -7.358 4.312 10.304 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.558 1.602 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.189 2.474 12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.833 2.678 11.430 1.00 0.00 H new ATOM 322 N ASN A 23 -8.304 2.194 7.643 1.00 0.00 N ATOM 323 CA ASN A 23 -9.121 1.622 6.586 1.00 0.00 C ATOM 324 C ASN A 23 -8.273 0.655 5.759 1.00 0.00 C ATOM 325 O ASN A 23 -8.791 -0.040 4.887 1.00 0.00 O ATOM 326 CB ASN A 23 -9.648 2.710 5.648 1.00 0.00 C ATOM 327 CG ASN A 23 -8.498 3.493 5.014 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.428 3.644 5.582 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.775 3.980 3.808 1.00 0.00 N ATOM 0 H ASN A 23 -7.550 2.800 7.319 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.962 1.108 7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.258 2.257 4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.294 3.391 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.071 4.517 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.691 3.817 3.390 1.00 0.00 H new ATOM 335 N TYR A 24 -6.983 0.643 6.060 1.00 0.00 N ATOM 336 CA TYR A 24 -6.057 -0.224 5.352 1.00 0.00 C ATOM 337 C TYR A 24 -5.800 -1.512 6.137 1.00 0.00 C ATOM 338 O TYR A 24 -5.532 -1.468 7.337 1.00 0.00 O ATOM 339 CB TYR A 24 -4.748 0.560 5.239 1.00 0.00 C ATOM 340 CG TYR A 24 -4.816 1.750 4.279 1.00 0.00 C ATOM 341 CD1 TYR A 24 -5.957 1.974 3.537 1.00 0.00 C ATOM 342 CD2 TYR A 24 -3.736 2.601 4.158 1.00 0.00 C ATOM 343 CE1 TYR A 24 -6.021 3.094 2.634 1.00 0.00 C ATOM 344 CE2 TYR A 24 -3.800 3.721 3.256 1.00 0.00 C ATOM 345 CZ TYR A 24 -4.940 3.912 2.539 1.00 0.00 C ATOM 346 OH TYR A 24 -5.000 4.971 1.685 1.00 0.00 O ATOM 0 H TYR A 24 -6.557 1.220 6.785 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.462 -0.505 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.466 0.920 6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.959 -0.116 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.803 1.309 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.843 2.427 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.908 3.280 2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.962 4.394 3.151 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.847 4.661 0.768 1.00 0.00 H new ATOM 355 N ILE A 25 -5.891 -2.627 5.429 1.00 0.00 N ATOM 356 CA ILE A 25 -5.589 -3.918 6.024 1.00 0.00 C ATOM 357 C ILE A 25 -4.423 -4.563 5.270 1.00 0.00 C ATOM 358 O ILE A 25 -4.277 -4.368 4.065 1.00 0.00 O ATOM 359 CB ILE A 25 -6.845 -4.790 6.077 1.00 0.00 C ATOM 360 CG1 ILE A 25 -7.290 -5.195 4.670 1.00 0.00 C ATOM 361 CG2 ILE A 25 -7.964 -4.095 6.854 1.00 0.00 C ATOM 362 CD1 ILE A 25 -8.112 -6.486 4.706 1.00 0.00 C ATOM 0 H ILE A 25 -6.170 -2.664 4.448 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.270 -3.795 7.059 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.602 -5.706 6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.883 -4.394 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.416 -5.334 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.845 -4.737 6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.632 -3.900 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.214 -3.153 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.416 -6.752 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.508 -7.290 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.998 -6.336 5.323 1.00 0.00 H new ATOM 373 N THR A 26 -3.626 -5.317 6.012 1.00 0.00 N ATOM 374 CA THR A 26 -2.467 -5.974 5.433 1.00 0.00 C ATOM 375 C THR A 26 -2.891 -7.233 4.674 1.00 0.00 C ATOM 376 O THR A 26 -3.923 -7.828 4.979 1.00 0.00 O ATOM 377 CB THR A 26 -1.469 -6.250 6.560 1.00 0.00 C ATOM 378 OG1 THR A 26 -2.258 -6.849 7.583 1.00 0.00 O ATOM 379 CG2 THR A 26 -0.938 -4.966 7.201 1.00 0.00 C ATOM 0 H THR A 26 -3.760 -5.488 7.009 1.00 0.00 H new ATOM 0 HA THR A 26 -1.979 -5.338 4.695 1.00 0.00 H new ATOM 0 HB THR A 26 -0.634 -6.832 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.028 -7.798 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.234 -5.219 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.432 -4.364 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.769 -4.398 7.621 1.00 0.00 H new ATOM 387 N LYS A 27 -2.073 -7.601 3.700 1.00 0.00 N ATOM 388 CA LYS A 27 -2.401 -8.717 2.828 1.00 0.00 C ATOM 389 C LYS A 27 -2.629 -9.970 3.674 1.00 0.00 C ATOM 390 O LYS A 27 -3.445 -10.821 3.324 1.00 0.00 O ATOM 391 CB LYS A 27 -1.329 -8.889 1.751 1.00 0.00 C ATOM 392 CG LYS A 27 -1.490 -7.845 0.643 1.00 0.00 C ATOM 393 CD LYS A 27 -0.570 -8.152 -0.540 1.00 0.00 C ATOM 394 CE LYS A 27 0.862 -7.695 -0.253 1.00 0.00 C ATOM 395 NZ LYS A 27 1.733 -7.959 -1.420 1.00 0.00 N ATOM 0 H LYS A 27 -1.183 -7.147 3.495 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.330 -8.521 2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.340 -8.798 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.395 -9.890 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.526 -7.825 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.263 -6.854 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.580 -9.223 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.943 -7.653 -1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.870 -6.631 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.248 -8.217 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.701 -7.643 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.738 -8.978 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.372 -7.441 -2.247 1.00 0.00 H new ATOM 405 N SER A 28 -1.895 -10.043 4.775 1.00 0.00 N ATOM 406 CA SER A 28 -2.093 -11.114 5.737 1.00 0.00 C ATOM 407 C SER A 28 -3.534 -11.096 6.249 1.00 0.00 C ATOM 408 O SER A 28 -4.246 -12.094 6.147 1.00 0.00 O ATOM 409 CB SER A 28 -1.113 -10.993 6.905 1.00 0.00 C ATOM 410 OG SER A 28 -1.459 -9.926 7.784 1.00 0.00 O ATOM 0 H SER A 28 -1.162 -9.378 5.022 1.00 0.00 H new ATOM 0 HA SER A 28 -1.904 -12.064 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.095 -11.930 7.462 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.107 -10.832 6.519 1.00 0.00 H new ATOM 0 HG SER A 28 -0.810 -9.883 8.517 1.00 0.00 H new ATOM 415 N GLU A 29 -3.922 -9.951 6.791 1.00 0.00 N ATOM 416 CA GLU A 29 -5.224 -9.825 7.423 1.00 0.00 C ATOM 417 C GLU A 29 -6.333 -10.174 6.428 1.00 0.00 C ATOM 418 O GLU A 29 -7.183 -11.019 6.711 1.00 0.00 O ATOM 419 CB GLU A 29 -5.423 -8.418 7.993 1.00 0.00 C ATOM 420 CG GLU A 29 -4.597 -8.222 9.266 1.00 0.00 C ATOM 421 CD GLU A 29 -4.659 -6.768 9.740 1.00 0.00 C ATOM 422 OE1 GLU A 29 -4.481 -5.882 8.877 1.00 0.00 O ATOM 423 OE2 GLU A 29 -4.883 -6.577 10.955 1.00 0.00 O ATOM 0 H GLU A 29 -3.357 -9.102 6.805 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.272 -10.529 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.133 -7.676 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.479 -8.256 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.969 -8.881 10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.561 -8.504 9.079 1.00 0.00 H new ATOM 428 N ALA A 30 -6.290 -9.508 5.285 1.00 0.00 N ATOM 429 CA ALA A 30 -7.240 -9.786 4.220 1.00 0.00 C ATOM 430 C ALA A 30 -7.365 -11.300 4.037 1.00 0.00 C ATOM 431 O ALA A 30 -8.466 -11.845 4.085 1.00 0.00 O ATOM 432 CB ALA A 30 -6.791 -9.079 2.938 1.00 0.00 C ATOM 0 H ALA A 30 -5.612 -8.776 5.072 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.227 -9.402 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.503 -9.287 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.745 -8.004 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.805 -9.442 2.649 1.00 0.00 H new ATOM 438 N GLN A 31 -6.221 -11.936 3.832 1.00 0.00 N ATOM 439 CA GLN A 31 -6.202 -13.340 3.455 1.00 0.00 C ATOM 440 C GLN A 31 -6.887 -14.187 4.529 1.00 0.00 C ATOM 441 O GLN A 31 -7.665 -15.086 4.214 1.00 0.00 O ATOM 442 CB GLN A 31 -4.771 -13.821 3.207 1.00 0.00 C ATOM 443 CG GLN A 31 -4.384 -13.650 1.737 1.00 0.00 C ATOM 444 CD GLN A 31 -3.093 -14.408 1.418 1.00 0.00 C ATOM 445 OE1 GLN A 31 -2.009 -13.850 1.376 1.00 0.00 O ATOM 446 NE2 GLN A 31 -3.269 -15.708 1.199 1.00 0.00 N ATOM 0 H GLN A 31 -5.301 -11.505 3.920 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.755 -13.454 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.080 -13.260 3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.681 -14.869 3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.190 -14.014 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.253 -12.591 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.204 -16.112 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.469 -16.301 0.980 1.00 0.00 H new ATOM 453 N ALA A 32 -6.574 -13.869 5.778 1.00 0.00 N ATOM 454 CA ALA A 32 -7.168 -14.574 6.900 1.00 0.00 C ATOM 455 C ALA A 32 -8.693 -14.511 6.787 1.00 0.00 C ATOM 456 O ALA A 32 -9.383 -15.476 7.109 1.00 0.00 O ATOM 457 CB ALA A 32 -6.656 -13.972 8.210 1.00 0.00 C ATOM 0 H ALA A 32 -5.917 -13.133 6.036 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.879 -15.625 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.102 -14.501 9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.571 -14.067 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.930 -12.918 8.258 1.00 0.00 H new ATOM 463 N LEU A 33 -9.173 -13.364 6.328 1.00 0.00 N ATOM 464 CA LEU A 33 -10.604 -13.118 6.281 1.00 0.00 C ATOM 465 C LEU A 33 -11.211 -13.891 5.108 1.00 0.00 C ATOM 466 O LEU A 33 -12.429 -14.043 5.025 1.00 0.00 O ATOM 467 CB LEU A 33 -10.888 -11.615 6.238 1.00 0.00 C ATOM 468 CG LEU A 33 -10.711 -10.862 7.559 1.00 0.00 C ATOM 469 CD1 LEU A 33 -10.257 -9.422 7.312 1.00 0.00 C ATOM 470 CD2 LEU A 33 -11.987 -10.924 8.400 1.00 0.00 C ATOM 0 H LEU A 33 -8.596 -12.595 5.986 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.084 -13.484 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.233 -11.162 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.911 -11.468 5.893 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.924 -11.354 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.139 -8.909 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.305 -9.427 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.004 -8.903 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.835 -10.381 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.810 -10.471 7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.227 -11.964 8.620 1.00 0.00 H new ATOM 481 N GLY A 34 -10.334 -14.360 4.232 1.00 0.00 N ATOM 482 CA GLY A 34 -10.753 -15.235 3.150 1.00 0.00 C ATOM 483 C GLY A 34 -10.669 -14.518 1.802 1.00 0.00 C ATOM 484 O GLY A 34 -11.002 -15.093 0.766 1.00 0.00 O ATOM 0 H GLY A 34 -9.336 -14.151 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.124 -16.125 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.775 -15.571 3.324 1.00 0.00 H new ATOM 488 N TRP A 35 -10.224 -13.271 1.857 1.00 0.00 N ATOM 489 CA TRP A 35 -9.844 -12.557 0.649 1.00 0.00 C ATOM 490 C TRP A 35 -8.961 -13.484 -0.190 1.00 0.00 C ATOM 491 O TRP A 35 -8.074 -14.150 0.341 1.00 0.00 O ATOM 492 CB TRP A 35 -9.165 -11.229 0.988 1.00 0.00 C ATOM 493 CG TRP A 35 -8.450 -10.576 -0.197 1.00 0.00 C ATOM 494 CD1 TRP A 35 -8.996 -10.048 -1.301 1.00 0.00 C ATOM 495 CD2 TRP A 35 -7.026 -10.401 -0.353 1.00 0.00 C ATOM 496 NE1 TRP A 35 -8.032 -9.548 -2.154 1.00 0.00 N ATOM 497 CE2 TRP A 35 -6.796 -9.770 -1.558 1.00 0.00 C ATOM 498 CE3 TRP A 35 -5.966 -10.764 0.497 1.00 0.00 C ATOM 499 CZ2 TRP A 35 -5.516 -9.446 -2.022 1.00 0.00 C ATOM 500 CZ3 TRP A 35 -4.693 -10.435 0.019 1.00 0.00 C ATOM 501 CH2 TRP A 35 -4.445 -9.799 -1.192 1.00 0.00 C ATOM 0 H TRP A 35 -10.118 -12.737 2.719 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.725 -12.292 0.064 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.914 -10.537 1.373 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.443 -11.395 1.788 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -10.057 -10.017 -1.499 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.197 -9.099 -3.055 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.122 -11.258 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.363 -8.950 -2.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.843 -10.693 0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.431 -9.578 -1.491 1.00 0.00 H new ATOM 511 N VAL A 36 -9.237 -13.497 -1.486 1.00 0.00 N ATOM 512 CA VAL A 36 -8.253 -13.953 -2.455 1.00 0.00 C ATOM 513 C VAL A 36 -8.082 -12.887 -3.539 1.00 0.00 C ATOM 514 O VAL A 36 -9.046 -12.508 -4.201 1.00 0.00 O ATOM 515 CB VAL A 36 -8.665 -15.315 -3.016 1.00 0.00 C ATOM 516 CG1 VAL A 36 -7.437 -16.144 -3.398 1.00 0.00 C ATOM 517 CG2 VAL A 36 -9.550 -16.072 -2.025 1.00 0.00 C ATOM 0 H VAL A 36 -10.126 -13.200 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.282 -14.092 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.248 -15.142 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.757 -17.108 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.861 -15.613 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.816 -16.302 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.828 -17.037 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.003 -16.229 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.450 -15.491 -1.823 1.00 0.00 H new ATOM 527 N ALA A 37 -6.845 -12.433 -3.686 1.00 0.00 N ATOM 528 CA ALA A 37 -6.517 -11.484 -4.736 1.00 0.00 C ATOM 529 C ALA A 37 -7.010 -12.026 -6.079 1.00 0.00 C ATOM 530 O ALA A 37 -7.340 -11.255 -6.979 1.00 0.00 O ATOM 531 CB ALA A 37 -5.010 -11.219 -4.731 1.00 0.00 C ATOM 0 H ALA A 37 -6.059 -12.705 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.016 -10.531 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.763 -10.507 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.716 -10.808 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.476 -12.153 -4.906 1.00 0.00 H new ATOM 537 N SER A 38 -7.043 -13.347 -6.173 1.00 0.00 N ATOM 538 CA SER A 38 -7.356 -14.001 -7.431 1.00 0.00 C ATOM 539 C SER A 38 -8.815 -14.462 -7.434 1.00 0.00 C ATOM 540 O SER A 38 -9.254 -15.141 -8.361 1.00 0.00 O ATOM 541 CB SER A 38 -6.424 -15.188 -7.681 1.00 0.00 C ATOM 542 OG SER A 38 -5.052 -14.806 -7.648 1.00 0.00 O ATOM 0 H SER A 38 -6.858 -13.983 -5.397 1.00 0.00 H new ATOM 0 HA SER A 38 -7.208 -13.281 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.605 -15.955 -6.928 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.654 -15.631 -8.650 1.00 0.00 H new ATOM 0 HG SER A 38 -4.490 -15.592 -7.810 1.00 0.00 H new ATOM 547 N LYS A 39 -9.527 -14.074 -6.385 1.00 0.00 N ATOM 548 CA LYS A 39 -10.978 -14.034 -6.439 1.00 0.00 C ATOM 549 C LYS A 39 -11.437 -12.594 -6.672 1.00 0.00 C ATOM 550 O LYS A 39 -12.577 -12.358 -7.066 1.00 0.00 O ATOM 551 CB LYS A 39 -11.578 -14.676 -5.186 1.00 0.00 C ATOM 552 CG LYS A 39 -11.448 -16.200 -5.234 1.00 0.00 C ATOM 553 CD LYS A 39 -12.305 -16.858 -4.152 1.00 0.00 C ATOM 554 CE LYS A 39 -13.746 -17.046 -4.632 1.00 0.00 C ATOM 555 NZ LYS A 39 -14.578 -17.631 -3.558 1.00 0.00 N ATOM 0 H LYS A 39 -9.125 -13.785 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.344 -14.624 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.073 -14.292 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.629 -14.400 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.753 -16.564 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.404 -16.484 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.879 -17.824 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.295 -16.244 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.161 -16.086 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.762 -17.696 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.552 -17.752 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.190 -18.556 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.577 -16.997 -2.734 1.00 0.00 H new ATOM 565 N GLY A 40 -10.523 -11.667 -6.418 1.00 0.00 N ATOM 566 CA GLY A 40 -10.735 -10.282 -6.804 1.00 0.00 C ATOM 567 C GLY A 40 -11.542 -9.535 -5.741 1.00 0.00 C ATOM 568 O GLY A 40 -11.960 -8.399 -5.959 1.00 0.00 O ATOM 0 H GLY A 40 -9.635 -11.848 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.773 -9.790 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.260 -10.243 -7.759 1.00 0.00 H new ATOM 572 N ASN A 41 -11.736 -10.202 -4.613 1.00 0.00 N ATOM 573 CA ASN A 41 -12.985 -10.085 -3.879 1.00 0.00 C ATOM 574 C ASN A 41 -12.736 -9.325 -2.575 1.00 0.00 C ATOM 575 O ASN A 41 -13.336 -9.635 -1.547 1.00 0.00 O ATOM 576 CB ASN A 41 -13.547 -11.463 -3.524 1.00 0.00 C ATOM 577 CG ASN A 41 -12.607 -12.210 -2.575 1.00 0.00 C ATOM 578 OD1 ASN A 41 -11.413 -12.318 -2.801 1.00 0.00 O ATOM 579 ND2 ASN A 41 -13.211 -12.718 -1.505 1.00 0.00 N ATOM 0 H ASN A 41 -11.049 -10.826 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.699 -9.557 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -14.526 -11.352 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.691 -12.047 -4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.670 -13.235 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.215 -12.590 -1.377 1.00 0.00 H new ATOM 585 N LEU A 42 -11.849 -8.343 -2.659 1.00 0.00 N ATOM 586 CA LEU A 42 -11.480 -7.566 -1.489 1.00 0.00 C ATOM 587 C LEU A 42 -12.701 -6.788 -0.993 1.00 0.00 C ATOM 588 O LEU A 42 -12.887 -6.620 0.211 1.00 0.00 O ATOM 589 CB LEU A 42 -10.268 -6.682 -1.793 1.00 0.00 C ATOM 590 CG LEU A 42 -9.734 -5.851 -0.625 1.00 0.00 C ATOM 591 CD1 LEU A 42 -9.057 -6.743 0.417 1.00 0.00 C ATOM 592 CD2 LEU A 42 -8.805 -4.742 -1.121 1.00 0.00 C ATOM 0 H LEU A 42 -11.376 -8.069 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.170 -8.224 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.462 -7.318 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.532 -6.004 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.579 -5.367 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.686 -6.128 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.778 -7.464 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.224 -7.273 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.439 -4.166 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.961 -5.184 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.352 -4.084 -1.796 1.00 0.00 H new ATOM 603 N ALA A 43 -13.500 -6.334 -1.948 1.00 0.00 N ATOM 604 CA ALA A 43 -14.615 -5.456 -1.635 1.00 0.00 C ATOM 605 C ALA A 43 -15.763 -6.286 -1.057 1.00 0.00 C ATOM 606 O ALA A 43 -16.750 -5.734 -0.572 1.00 0.00 O ATOM 607 CB ALA A 43 -15.027 -4.687 -2.891 1.00 0.00 C ATOM 0 H ALA A 43 -13.397 -6.558 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.327 -4.721 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -15.863 -4.028 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.185 -4.092 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.326 -5.391 -3.667 1.00 0.00 H new ATOM 613 N ASP A 44 -15.598 -7.599 -1.127 1.00 0.00 N ATOM 614 CA ASP A 44 -16.658 -8.509 -0.731 1.00 0.00 C ATOM 615 C ASP A 44 -16.414 -8.974 0.707 1.00 0.00 C ATOM 616 O ASP A 44 -17.361 -9.188 1.462 1.00 0.00 O ATOM 617 CB ASP A 44 -16.686 -9.747 -1.630 1.00 0.00 C ATOM 618 CG ASP A 44 -17.226 -11.016 -0.967 1.00 0.00 C ATOM 619 OD1 ASP A 44 -18.444 -11.035 -0.687 1.00 0.00 O ATOM 620 OD2 ASP A 44 -16.409 -11.937 -0.755 1.00 0.00 O ATOM 0 H ASP A 44 -14.745 -8.054 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.607 -7.980 -0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.294 -9.527 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.674 -9.943 -1.985 1.00 0.00 H new ATOM 624 N VAL A 45 -15.140 -9.118 1.040 1.00 0.00 N ATOM 625 CA VAL A 45 -14.761 -9.587 2.362 1.00 0.00 C ATOM 626 C VAL A 45 -14.617 -8.389 3.302 1.00 0.00 C ATOM 627 O VAL A 45 -14.681 -8.541 4.522 1.00 0.00 O ATOM 628 CB VAL A 45 -13.490 -10.433 2.272 1.00 0.00 C ATOM 629 CG1 VAL A 45 -13.759 -11.753 1.545 1.00 0.00 C ATOM 630 CG2 VAL A 45 -12.360 -9.655 1.594 1.00 0.00 C ATOM 0 H VAL A 45 -14.357 -8.918 0.417 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.536 -10.232 2.775 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.173 -10.669 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.839 -12.335 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -14.517 -12.319 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.113 -11.547 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.468 -10.279 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.665 -9.375 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.141 -8.756 2.170 1.00 0.00 H new ATOM 640 N ALA A 46 -14.426 -7.224 2.700 1.00 0.00 N ATOM 641 CA ALA A 46 -14.041 -6.045 3.456 1.00 0.00 C ATOM 642 C ALA A 46 -14.480 -4.792 2.697 1.00 0.00 C ATOM 643 O ALA A 46 -13.651 -4.093 2.114 1.00 0.00 O ATOM 644 CB ALA A 46 -12.533 -6.073 3.714 1.00 0.00 C ATOM 0 H ALA A 46 -14.531 -7.072 1.697 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.537 -6.033 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.244 -5.188 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.278 -6.968 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.001 -6.083 2.763 1.00 0.00 H new ATOM 650 N PRO A 47 -15.815 -4.539 2.727 1.00 0.00 N ATOM 651 CA PRO A 47 -16.411 -3.555 1.839 1.00 0.00 C ATOM 652 C PRO A 47 -16.095 -2.132 2.305 1.00 0.00 C ATOM 653 O PRO A 47 -16.501 -1.728 3.395 1.00 0.00 O ATOM 654 CB PRO A 47 -17.899 -3.867 1.848 1.00 0.00 C ATOM 655 CG PRO A 47 -18.141 -4.707 3.091 1.00 0.00 C ATOM 656 CD PRO A 47 -16.790 -5.178 3.605 1.00 0.00 C ATOM 0 HA PRO A 47 -16.013 -3.607 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.490 -2.951 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.190 -4.409 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -18.657 -4.122 3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -18.779 -5.559 2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -16.638 -4.886 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -16.708 -6.264 3.564 1.00 0.00 H new ATOM 661 N GLY A 48 -15.376 -1.412 1.458 1.00 0.00 N ATOM 662 CA GLY A 48 -15.077 -0.016 1.728 1.00 0.00 C ATOM 663 C GLY A 48 -13.607 0.167 2.109 1.00 0.00 C ATOM 664 O GLY A 48 -13.064 1.264 1.993 1.00 0.00 O ATOM 0 H GLY A 48 -14.991 -1.769 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.306 0.585 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.713 0.346 2.536 1.00 0.00 H new ATOM 668 N LYS A 49 -13.005 -0.925 2.556 1.00 0.00 N ATOM 669 CA LYS A 49 -11.636 -0.880 3.041 1.00 0.00 C ATOM 670 C LYS A 49 -10.685 -1.275 1.911 1.00 0.00 C ATOM 671 O LYS A 49 -11.114 -1.823 0.897 1.00 0.00 O ATOM 672 CB LYS A 49 -11.485 -1.736 4.300 1.00 0.00 C ATOM 673 CG LYS A 49 -12.242 -1.119 5.477 1.00 0.00 C ATOM 674 CD LYS A 49 -12.180 -2.028 6.707 1.00 0.00 C ATOM 675 CE LYS A 49 -12.899 -1.390 7.897 1.00 0.00 C ATOM 676 NZ LYS A 49 -12.095 -0.278 8.453 1.00 0.00 N ATOM 0 H LYS A 49 -13.440 -1.847 2.593 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.371 0.134 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.861 -2.741 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.429 -1.834 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.815 -0.145 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.282 -0.951 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.636 -2.991 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.140 -2.223 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.875 -1.020 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.075 -2.140 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.528 0.055 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.128 -0.610 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.063 0.504 7.768 1.00 0.00 H new ATOM 686 N SER A 50 -9.409 -0.982 2.123 1.00 0.00 N ATOM 687 CA SER A 50 -8.412 -1.188 1.086 1.00 0.00 C ATOM 688 C SER A 50 -7.295 -2.093 1.609 1.00 0.00 C ATOM 689 O SER A 50 -7.406 -2.659 2.695 1.00 0.00 O ATOM 690 CB SER A 50 -7.835 0.145 0.606 1.00 0.00 C ATOM 691 OG SER A 50 -8.820 1.174 0.575 1.00 0.00 O ATOM 0 H SER A 50 -9.044 -0.604 2.997 1.00 0.00 H new ATOM 0 HA SER A 50 -8.895 -1.671 0.236 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.019 0.444 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.411 0.019 -0.390 1.00 0.00 H new ATOM 0 HG SER A 50 -9.608 0.858 0.086 1.00 0.00 H new ATOM 696 N ILE A 51 -6.243 -2.202 0.809 1.00 0.00 N ATOM 697 CA ILE A 51 -4.964 -2.671 1.316 1.00 0.00 C ATOM 698 C ILE A 51 -4.109 -1.468 1.720 1.00 0.00 C ATOM 699 O ILE A 51 -4.293 -0.369 1.200 1.00 0.00 O ATOM 700 CB ILE A 51 -4.290 -3.591 0.297 1.00 0.00 C ATOM 701 CG1 ILE A 51 -5.247 -4.690 -0.169 1.00 0.00 C ATOM 702 CG2 ILE A 51 -2.986 -4.166 0.856 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.246 -5.868 0.807 1.00 0.00 C ATOM 0 H ILE A 51 -6.251 -1.974 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.107 -3.276 2.212 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.031 -2.997 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.256 -4.286 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.955 -5.035 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.527 -4.817 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.303 -3.351 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.199 -4.740 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.934 -6.635 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.241 -6.285 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.562 -5.525 1.792 1.00 0.00 H new ATOM 714 N GLY A 52 -3.191 -1.718 2.643 1.00 0.00 N ATOM 715 CA GLY A 52 -2.158 -0.745 2.954 1.00 0.00 C ATOM 716 C GLY A 52 -1.380 -1.153 4.207 1.00 0.00 C ATOM 717 O GLY A 52 -1.886 -1.904 5.039 1.00 0.00 O ATOM 0 H GLY A 52 -3.142 -2.581 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.474 -0.653 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.610 0.235 3.105 1.00 0.00 H new ATOM 721 N GLY A 53 -0.162 -0.641 4.300 1.00 0.00 N ATOM 722 CA GLY A 53 0.694 -0.949 5.432 1.00 0.00 C ATOM 723 C GLY A 53 1.689 -2.058 5.083 1.00 0.00 C ATOM 724 O GLY A 53 2.670 -2.264 5.795 1.00 0.00 O ATOM 0 H GLY A 53 0.252 -0.015 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.235 -0.053 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.083 -1.257 6.281 1.00 0.00 H new ATOM 728 N ASP A 54 1.399 -2.743 3.986 1.00 0.00 N ATOM 729 CA ASP A 54 2.245 -3.839 3.544 1.00 0.00 C ATOM 730 C ASP A 54 3.654 -3.310 3.265 1.00 0.00 C ATOM 731 O ASP A 54 3.885 -2.103 3.297 1.00 0.00 O ATOM 732 CB ASP A 54 1.710 -4.462 2.253 1.00 0.00 C ATOM 733 CG ASP A 54 0.589 -5.485 2.445 1.00 0.00 C ATOM 734 OD1 ASP A 54 0.932 -6.677 2.608 1.00 0.00 O ATOM 735 OD2 ASP A 54 -0.583 -5.054 2.425 1.00 0.00 O ATOM 0 H ASP A 54 0.591 -2.560 3.391 1.00 0.00 H new ATOM 0 HA ASP A 54 2.257 -4.594 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.346 -3.664 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.536 -4.944 1.731 1.00 0.00 H new ATOM 739 N ILE A 55 4.558 -4.240 2.999 1.00 0.00 N ATOM 740 CA ILE A 55 5.899 -3.879 2.570 1.00 0.00 C ATOM 741 C ILE A 55 5.926 -3.757 1.045 1.00 0.00 C ATOM 742 O ILE A 55 5.148 -4.411 0.352 1.00 0.00 O ATOM 743 CB ILE A 55 6.925 -4.870 3.125 1.00 0.00 C ATOM 744 CG1 ILE A 55 6.793 -5.002 4.644 1.00 0.00 C ATOM 745 CG2 ILE A 55 8.344 -4.484 2.704 1.00 0.00 C ATOM 746 CD1 ILE A 55 6.559 -3.637 5.295 1.00 0.00 C ATOM 0 H ILE A 55 4.389 -5.243 3.072 1.00 0.00 H new ATOM 0 HA ILE A 55 6.179 -2.906 2.974 1.00 0.00 H new ATOM 0 HB ILE A 55 6.719 -5.851 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.966 -5.670 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.697 -5.454 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.053 -5.204 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.413 -4.483 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.578 -3.490 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.469 -3.759 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.399 -2.979 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.642 -3.199 4.902 1.00 0.00 H new ATOM 757 N PHE A 56 6.829 -2.914 0.566 1.00 0.00 N ATOM 758 CA PHE A 56 7.071 -2.809 -0.863 1.00 0.00 C ATOM 759 C PHE A 56 8.411 -3.445 -1.240 1.00 0.00 C ATOM 760 O PHE A 56 9.394 -3.306 -0.515 1.00 0.00 O ATOM 761 CB PHE A 56 7.116 -1.317 -1.199 1.00 0.00 C ATOM 762 CG PHE A 56 7.715 -1.006 -2.572 1.00 0.00 C ATOM 763 CD1 PHE A 56 7.135 -1.508 -3.697 1.00 0.00 C ATOM 764 CD2 PHE A 56 8.827 -0.230 -2.669 1.00 0.00 C ATOM 765 CE1 PHE A 56 7.691 -1.219 -4.970 1.00 0.00 C ATOM 766 CE2 PHE A 56 9.383 0.058 -3.944 1.00 0.00 C ATOM 767 CZ PHE A 56 8.803 -0.443 -5.068 1.00 0.00 C ATOM 0 H PHE A 56 7.402 -2.297 1.142 1.00 0.00 H new ATOM 0 HA PHE A 56 6.286 -3.327 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.104 -0.915 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.697 -0.800 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.252 -2.126 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.288 0.167 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.230 -1.616 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.266 0.675 -4.021 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.226 -0.224 -6.038 1.00 0.00 H new ATOM 776 N SER A 57 8.406 -4.127 -2.375 1.00 0.00 N ATOM 777 CA SER A 57 9.622 -4.738 -2.887 1.00 0.00 C ATOM 778 C SER A 57 10.483 -3.683 -3.585 1.00 0.00 C ATOM 779 O SER A 57 10.365 -3.481 -4.793 1.00 0.00 O ATOM 780 CB SER A 57 9.300 -5.883 -3.850 1.00 0.00 C ATOM 781 OG SER A 57 8.610 -6.947 -3.202 1.00 0.00 O ATOM 0 H SER A 57 7.580 -4.271 -2.955 1.00 0.00 H new ATOM 0 HA SER A 57 10.177 -5.153 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.693 -5.505 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.225 -6.262 -4.285 1.00 0.00 H new ATOM 0 HG SER A 57 8.421 -7.657 -3.850 1.00 0.00 H new ATOM 786 N ASN A 58 11.329 -3.038 -2.795 1.00 0.00 N ATOM 787 CA ASN A 58 12.371 -2.190 -3.347 1.00 0.00 C ATOM 788 C ASN A 58 13.472 -3.067 -3.948 1.00 0.00 C ATOM 789 O ASN A 58 14.569 -3.154 -3.397 1.00 0.00 O ATOM 790 CB ASN A 58 13.001 -1.314 -2.262 1.00 0.00 C ATOM 791 CG ASN A 58 14.027 -0.351 -2.863 1.00 0.00 C ATOM 792 OD1 ASN A 58 15.228 -0.530 -2.746 1.00 0.00 O ATOM 793 ND2 ASN A 58 13.488 0.678 -3.512 1.00 0.00 N ATOM 0 H ASN A 58 11.314 -3.086 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 58 11.920 -1.552 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.223 -0.749 -1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.483 -1.944 -1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.089 1.377 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.474 0.768 -3.572 1.00 0.00 H new ATOM 799 N ARG A 59 13.140 -3.694 -5.066 1.00 0.00 N ATOM 800 CA ARG A 59 14.013 -4.701 -5.646 1.00 0.00 C ATOM 801 C ARG A 59 14.906 -4.074 -6.719 1.00 0.00 C ATOM 802 O ARG A 59 16.117 -4.297 -6.732 1.00 0.00 O ATOM 803 CB ARG A 59 13.203 -5.839 -6.268 1.00 0.00 C ATOM 804 CG ARG A 59 14.098 -7.041 -6.580 1.00 0.00 C ATOM 805 CD ARG A 59 14.322 -7.897 -5.331 1.00 0.00 C ATOM 806 NE ARG A 59 13.037 -8.470 -4.872 1.00 0.00 N ATOM 807 CZ ARG A 59 12.419 -9.499 -5.467 1.00 0.00 C ATOM 808 NH1 ARG A 59 12.992 -10.113 -6.510 1.00 0.00 N ATOM 809 NH2 ARG A 59 11.227 -9.914 -5.017 1.00 0.00 N ATOM 0 H ARG A 59 12.279 -3.525 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 59 14.631 -5.106 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.408 -6.140 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.723 -5.491 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.640 -7.646 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 59 15.057 -6.695 -6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.029 -8.697 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.763 -7.291 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 59 12.594 -8.056 -4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.900 -9.797 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.521 -10.896 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.791 -9.447 -4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.756 -10.697 -5.469 1.00 0.00 H new ATOM 820 N GLU A 60 14.276 -3.302 -7.592 1.00 0.00 N ATOM 821 CA GLU A 60 14.995 -2.660 -8.678 1.00 0.00 C ATOM 822 C GLU A 60 15.734 -1.421 -8.167 1.00 0.00 C ATOM 823 O GLU A 60 16.638 -0.916 -8.831 1.00 0.00 O ATOM 824 CB GLU A 60 14.048 -2.300 -9.825 1.00 0.00 C ATOM 825 CG GLU A 60 13.726 -3.529 -10.677 1.00 0.00 C ATOM 826 CD GLU A 60 12.931 -4.560 -9.873 1.00 0.00 C ATOM 827 OE1 GLU A 60 11.842 -4.184 -9.388 1.00 0.00 O ATOM 828 OE2 GLU A 60 13.430 -5.700 -9.762 1.00 0.00 O ATOM 0 H GLU A 60 13.275 -3.107 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 60 15.732 -3.364 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.126 -1.881 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.502 -1.530 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.154 -3.228 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.651 -3.979 -11.038 1.00 0.00 H new ATOM 833 N GLY A 61 15.321 -0.968 -6.993 1.00 0.00 N ATOM 834 CA GLY A 61 15.891 0.237 -6.413 1.00 0.00 C ATOM 835 C GLY A 61 15.307 1.490 -7.069 1.00 0.00 C ATOM 836 O GLY A 61 16.021 2.467 -7.294 1.00 0.00 O ATOM 0 H GLY A 61 14.598 -1.413 -6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.694 0.258 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.974 0.228 -6.538 1.00 0.00 H new ATOM 840 N LYS A 62 14.016 1.422 -7.358 1.00 0.00 N ATOM 841 CA LYS A 62 13.333 2.531 -8.001 1.00 0.00 C ATOM 842 C LYS A 62 13.219 3.695 -7.013 1.00 0.00 C ATOM 843 O LYS A 62 13.389 4.853 -7.391 1.00 0.00 O ATOM 844 CB LYS A 62 11.988 2.075 -8.571 1.00 0.00 C ATOM 845 CG LYS A 62 12.189 1.129 -9.757 1.00 0.00 C ATOM 846 CD LYS A 62 12.217 1.903 -11.076 1.00 0.00 C ATOM 847 CE LYS A 62 12.231 0.948 -12.272 1.00 0.00 C ATOM 848 NZ LYS A 62 12.114 1.703 -13.540 1.00 0.00 N ATOM 0 H LYS A 62 13.425 0.615 -7.158 1.00 0.00 H new ATOM 0 HA LYS A 62 13.909 2.890 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.411 1.573 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.410 2.943 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.122 0.579 -9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.385 0.393 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.346 2.556 -11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.098 2.544 -11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.154 0.368 -12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.408 0.238 -12.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.091 1.038 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.238 2.264 -13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.931 2.339 -13.642 1.00 0.00 H new ATOM 858 N LEU A 63 12.931 3.346 -5.767 1.00 0.00 N ATOM 859 CA LEU A 63 12.973 4.319 -4.689 1.00 0.00 C ATOM 860 C LEU A 63 14.380 4.347 -4.087 1.00 0.00 C ATOM 861 O LEU A 63 15.154 3.408 -4.267 1.00 0.00 O ATOM 862 CB LEU A 63 11.873 4.033 -3.666 1.00 0.00 C ATOM 863 CG LEU A 63 10.436 4.123 -4.184 1.00 0.00 C ATOM 864 CD1 LEU A 63 9.450 3.537 -3.170 1.00 0.00 C ATOM 865 CD2 LEU A 63 10.079 5.562 -4.563 1.00 0.00 C ATOM 0 H LEU A 63 12.668 2.403 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 63 12.769 5.319 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.031 3.033 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.984 4.732 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 63 10.362 3.523 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.436 3.613 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.692 2.489 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.519 4.091 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.053 5.598 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.175 6.204 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.754 5.911 -5.344 1.00 0.00 H new ATOM 876 N PRO A 64 14.675 5.462 -3.368 1.00 0.00 N ATOM 877 CA PRO A 64 15.965 5.612 -2.716 1.00 0.00 C ATOM 878 C PRO A 64 16.051 4.739 -1.462 1.00 0.00 C ATOM 879 O PRO A 64 15.121 3.997 -1.155 1.00 0.00 O ATOM 880 CB PRO A 64 16.082 7.097 -2.415 1.00 0.00 C ATOM 881 CG PRO A 64 14.668 7.651 -2.486 1.00 0.00 C ATOM 882 CD PRO A 64 13.792 6.606 -3.157 1.00 0.00 C ATOM 0 HA PRO A 64 16.794 5.279 -3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.517 7.262 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.732 7.592 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.296 7.877 -1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 64 14.651 8.583 -3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.942 6.340 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.388 6.974 -4.100 1.00 0.00 H new ATOM 887 N GLY A 65 17.177 4.858 -0.774 1.00 0.00 N ATOM 888 CA GLY A 65 17.315 4.258 0.542 1.00 0.00 C ATOM 889 C GLY A 65 18.703 3.639 0.719 1.00 0.00 C ATOM 890 O GLY A 65 19.452 3.499 -0.247 1.00 0.00 O ATOM 0 H GLY A 65 18.001 5.361 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.149 5.014 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.551 3.492 0.679 1.00 0.00 H new ATOM 894 N LYS A 66 19.004 3.285 1.959 1.00 0.00 N ATOM 895 CA LYS A 66 20.214 2.535 2.251 1.00 0.00 C ATOM 896 C LYS A 66 19.851 1.275 3.041 1.00 0.00 C ATOM 897 O LYS A 66 18.697 1.093 3.429 1.00 0.00 O ATOM 898 CB LYS A 66 21.241 3.426 2.953 1.00 0.00 C ATOM 899 CG LYS A 66 21.909 4.379 1.960 1.00 0.00 C ATOM 900 CD LYS A 66 22.931 5.275 2.663 1.00 0.00 C ATOM 901 CE LYS A 66 23.757 6.065 1.646 1.00 0.00 C ATOM 902 NZ LYS A 66 22.902 7.031 0.921 1.00 0.00 N ATOM 0 H LYS A 66 18.431 3.504 2.774 1.00 0.00 H new ATOM 0 HA LYS A 66 20.690 2.206 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.752 4.000 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.998 2.806 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 66 22.402 3.805 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.151 4.995 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.416 5.964 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 66 23.592 4.665 3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 66 24.562 6.594 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 66 24.224 5.381 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.492 7.616 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 22.201 6.515 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.411 7.641 1.605 1.00 0.00 H new ATOM 912 N SER A 67 20.857 0.440 3.257 1.00 0.00 N ATOM 913 CA SER A 67 20.681 -0.744 4.079 1.00 0.00 C ATOM 914 C SER A 67 20.315 -0.340 5.509 1.00 0.00 C ATOM 915 O SER A 67 21.194 -0.088 6.331 1.00 0.00 O ATOM 916 CB SER A 67 21.945 -1.607 4.079 1.00 0.00 C ATOM 917 OG SER A 67 22.199 -2.183 2.801 1.00 0.00 O ATOM 0 H SER A 67 21.796 0.560 2.877 1.00 0.00 H new ATOM 0 HA SER A 67 19.869 -1.335 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 67 22.799 -0.999 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.842 -2.400 4.820 1.00 0.00 H new ATOM 0 HG SER A 67 23.015 -2.725 2.843 1.00 0.00 H new ATOM 922 N GLY A 68 19.016 -0.288 5.761 1.00 0.00 N ATOM 923 CA GLY A 68 18.518 0.219 7.028 1.00 0.00 C ATOM 924 C GLY A 68 17.113 0.805 6.871 1.00 0.00 C ATOM 925 O GLY A 68 16.246 0.583 7.713 1.00 0.00 O ATOM 0 H GLY A 68 18.292 -0.589 5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 68 18.500 -0.585 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.194 0.984 7.409 1.00 0.00 H new ATOM 929 N ARG A 69 16.932 1.543 5.785 1.00 0.00 N ATOM 930 CA ARG A 69 15.617 2.052 5.436 1.00 0.00 C ATOM 931 C ARG A 69 14.739 0.925 4.889 1.00 0.00 C ATOM 932 O ARG A 69 15.231 0.019 4.219 1.00 0.00 O ATOM 933 CB ARG A 69 15.717 3.166 4.391 1.00 0.00 C ATOM 934 CG ARG A 69 14.332 3.558 3.874 1.00 0.00 C ATOM 935 CD ARG A 69 14.416 4.773 2.947 1.00 0.00 C ATOM 936 NE ARG A 69 14.906 5.949 3.701 1.00 0.00 N ATOM 937 CZ ARG A 69 15.606 6.952 3.155 1.00 0.00 C ATOM 938 NH1 ARG A 69 15.677 7.072 1.822 1.00 0.00 N ATOM 939 NH2 ARG A 69 16.237 7.835 3.941 1.00 0.00 N ATOM 0 H ARG A 69 17.675 1.800 5.135 1.00 0.00 H new ATOM 0 HA ARG A 69 15.168 2.459 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.206 4.037 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.339 2.835 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.888 2.718 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.676 3.783 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.085 4.560 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.435 4.986 2.522 1.00 0.00 H new ATOM 0 HE ARG A 69 14.698 5.999 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.198 6.399 1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.210 7.836 1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.184 7.743 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.770 8.599 3.525 1.00 0.00 H new ATOM 950 N THR A 70 13.453 1.019 5.195 1.00 0.00 N ATOM 951 CA THR A 70 12.468 0.162 4.559 1.00 0.00 C ATOM 952 C THR A 70 11.332 1.000 3.970 1.00 0.00 C ATOM 953 O THR A 70 11.134 2.148 4.366 1.00 0.00 O ATOM 954 CB THR A 70 11.996 -0.864 5.591 1.00 0.00 C ATOM 955 OG1 THR A 70 13.121 -1.038 6.447 1.00 0.00 O ATOM 956 CG2 THR A 70 11.773 -2.249 4.982 1.00 0.00 C ATOM 0 H THR A 70 13.071 1.676 5.875 1.00 0.00 H new ATOM 0 HA THR A 70 12.900 -0.379 3.717 1.00 0.00 H new ATOM 0 HB THR A 70 11.070 -0.517 6.050 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.902 -1.687 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.439 -2.938 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.014 -2.186 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.706 -2.612 4.552 1.00 0.00 H new ATOM 964 N TRP A 71 10.615 0.394 3.036 1.00 0.00 N ATOM 965 CA TRP A 71 9.518 1.079 2.373 1.00 0.00 C ATOM 966 C TRP A 71 8.232 0.300 2.660 1.00 0.00 C ATOM 967 O TRP A 71 8.261 -0.921 2.800 1.00 0.00 O ATOM 968 CB TRP A 71 9.797 1.243 0.878 1.00 0.00 C ATOM 969 CG TRP A 71 10.994 2.142 0.563 1.00 0.00 C ATOM 970 CD1 TRP A 71 12.282 1.792 0.446 1.00 0.00 C ATOM 971 CD2 TRP A 71 10.961 3.566 0.328 1.00 0.00 C ATOM 972 NE1 TRP A 71 13.078 2.880 0.154 1.00 0.00 N ATOM 973 CE2 TRP A 71 12.249 3.993 0.080 1.00 0.00 C ATOM 974 CE3 TRP A 71 9.878 4.462 0.325 1.00 0.00 C ATOM 975 CZ2 TRP A 71 12.575 5.328 -0.189 1.00 0.00 C ATOM 976 CZ3 TRP A 71 10.221 5.792 0.055 1.00 0.00 C ATOM 977 CH2 TRP A 71 11.512 6.239 -0.197 1.00 0.00 C ATOM 0 H TRP A 71 10.772 -0.564 2.722 1.00 0.00 H new ATOM 0 HA TRP A 71 9.405 2.092 2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 71 9.970 0.259 0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 71 8.910 1.655 0.396 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.651 0.784 0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.089 2.870 0.018 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.862 4.149 0.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.592 5.638 -0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.426 6.522 0.042 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.695 7.284 -0.398 1.00 0.00 H new ATOM 987 N ARG A 72 7.136 1.039 2.737 1.00 0.00 N ATOM 988 CA ARG A 72 5.817 0.428 2.708 1.00 0.00 C ATOM 989 C ARG A 72 5.017 0.950 1.512 1.00 0.00 C ATOM 990 O ARG A 72 5.411 1.925 0.875 1.00 0.00 O ATOM 991 CB ARG A 72 5.046 0.720 3.997 1.00 0.00 C ATOM 992 CG ARG A 72 5.769 0.138 5.212 1.00 0.00 C ATOM 993 CD ARG A 72 4.985 0.409 6.498 1.00 0.00 C ATOM 994 NE ARG A 72 5.733 -0.110 7.665 1.00 0.00 N ATOM 995 CZ ARG A 72 6.734 0.545 8.269 1.00 0.00 C ATOM 996 NH1 ARG A 72 7.163 1.715 7.775 1.00 0.00 N ATOM 997 NH2 ARG A 72 7.306 0.032 9.366 1.00 0.00 N ATOM 0 H ARG A 72 7.133 2.056 2.819 1.00 0.00 H new ATOM 0 HA ARG A 72 5.952 -0.650 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.930 1.797 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.044 0.297 3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.900 -0.936 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.765 0.574 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.815 1.480 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.005 -0.065 6.443 1.00 0.00 H new ATOM 0 HE ARG A 72 5.470 -1.024 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.728 2.106 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.925 2.214 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.980 -0.858 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.068 0.531 9.825 1.00 0.00 H new ATOM 1008 N GLU A 73 3.908 0.277 1.245 1.00 0.00 N ATOM 1009 CA GLU A 73 2.988 0.728 0.214 1.00 0.00 C ATOM 1010 C GLU A 73 1.573 0.853 0.781 1.00 0.00 C ATOM 1011 O GLU A 73 1.273 0.298 1.837 1.00 0.00 O ATOM 1012 CB GLU A 73 3.015 -0.211 -0.993 1.00 0.00 C ATOM 1013 CG GLU A 73 2.647 -1.639 -0.585 1.00 0.00 C ATOM 1014 CD GLU A 73 2.504 -2.540 -1.813 1.00 0.00 C ATOM 1015 OE1 GLU A 73 3.541 -3.096 -2.234 1.00 0.00 O ATOM 1016 OE2 GLU A 73 1.358 -2.653 -2.302 1.00 0.00 O ATOM 0 H GLU A 73 3.625 -0.578 1.725 1.00 0.00 H new ATOM 0 HA GLU A 73 3.309 1.713 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.318 0.145 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.008 -0.202 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.413 -2.041 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.712 -1.631 -0.024 1.00 0.00 H new ATOM 1021 N ALA A 74 0.741 1.586 0.057 1.00 0.00 N ATOM 1022 CA ALA A 74 -0.662 1.701 0.415 1.00 0.00 C ATOM 1023 C ALA A 74 -1.486 1.975 -0.845 1.00 0.00 C ATOM 1024 O ALA A 74 -0.996 2.595 -1.788 1.00 0.00 O ATOM 1025 CB ALA A 74 -0.830 2.795 1.472 1.00 0.00 C ATOM 0 H ALA A 74 1.012 2.107 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.025 0.769 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.883 2.882 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.249 2.538 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.478 3.746 1.071 1.00 0.00 H new ATOM 1031 N ASP A 75 -2.722 1.501 -0.819 1.00 0.00 N ATOM 1032 CA ASP A 75 -3.598 1.632 -1.972 1.00 0.00 C ATOM 1033 C ASP A 75 -4.029 3.093 -2.115 1.00 0.00 C ATOM 1034 O ASP A 75 -4.482 3.707 -1.151 1.00 0.00 O ATOM 1035 CB ASP A 75 -4.858 0.781 -1.806 1.00 0.00 C ATOM 1036 CG ASP A 75 -4.646 -0.726 -1.967 1.00 0.00 C ATOM 1037 OD1 ASP A 75 -3.474 -1.118 -2.147 1.00 0.00 O ATOM 1038 OD2 ASP A 75 -5.663 -1.451 -1.907 1.00 0.00 O ATOM 0 H ASP A 75 -3.139 1.026 -0.018 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.050 1.296 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.279 0.970 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.598 1.109 -2.536 1.00 0.00 H new ATOM 1042 N ILE A 76 -3.874 3.607 -3.326 1.00 0.00 N ATOM 1043 CA ILE A 76 -4.457 4.891 -3.676 1.00 0.00 C ATOM 1044 C ILE A 76 -5.629 4.670 -4.634 1.00 0.00 C ATOM 1045 O ILE A 76 -5.598 3.758 -5.459 1.00 0.00 O ATOM 1046 CB ILE A 76 -3.385 5.835 -4.222 1.00 0.00 C ATOM 1047 CG1 ILE A 76 -2.266 6.045 -3.200 1.00 0.00 C ATOM 1048 CG2 ILE A 76 -4.001 7.160 -4.677 1.00 0.00 C ATOM 1049 CD1 ILE A 76 -2.834 6.472 -1.845 1.00 0.00 C ATOM 0 H ILE A 76 -3.352 3.157 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.858 5.382 -2.789 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.936 5.370 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.696 5.123 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.574 6.805 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.217 7.813 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.732 6.970 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.493 7.642 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.018 6.615 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.383 7.407 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.507 5.699 -1.473 1.00 0.00 H new ATOM 1060 N ASN A 77 -6.635 5.521 -4.494 1.00 0.00 N ATOM 1061 CA ASN A 77 -7.645 5.662 -5.530 1.00 0.00 C ATOM 1062 C ASN A 77 -8.473 4.378 -5.607 1.00 0.00 C ATOM 1063 O ASN A 77 -9.238 4.185 -6.551 1.00 0.00 O ATOM 1064 CB ASN A 77 -7.002 5.894 -6.898 1.00 0.00 C ATOM 1065 CG ASN A 77 -6.472 7.324 -7.020 1.00 0.00 C ATOM 1066 OD1 ASN A 77 -6.571 8.131 -6.110 1.00 0.00 O ATOM 1067 ND2 ASN A 77 -5.906 7.593 -8.193 1.00 0.00 N ATOM 0 H ASN A 77 -6.773 6.120 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.271 6.518 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.186 5.186 -7.045 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.733 5.705 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.522 8.521 -8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.856 6.872 -8.912 1.00 0.00 H new ATOM 1073 N TYR A 78 -8.292 3.534 -4.602 1.00 0.00 N ATOM 1074 CA TYR A 78 -9.069 2.310 -4.505 1.00 0.00 C ATOM 1075 C TYR A 78 -10.568 2.602 -4.607 1.00 0.00 C ATOM 1076 O TYR A 78 -11.070 3.522 -3.963 1.00 0.00 O ATOM 1077 CB TYR A 78 -8.768 1.729 -3.121 1.00 0.00 C ATOM 1078 CG TYR A 78 -9.777 0.677 -2.655 1.00 0.00 C ATOM 1079 CD1 TYR A 78 -9.760 -0.588 -3.207 1.00 0.00 C ATOM 1080 CD2 TYR A 78 -10.704 0.995 -1.683 1.00 0.00 C ATOM 1081 CE1 TYR A 78 -10.711 -1.577 -2.767 1.00 0.00 C ATOM 1082 CE2 TYR A 78 -11.654 0.006 -1.244 1.00 0.00 C ATOM 1083 CZ TYR A 78 -11.611 -1.231 -1.808 1.00 0.00 C ATOM 1084 OH TYR A 78 -12.507 -2.166 -1.393 1.00 0.00 O ATOM 0 H TYR A 78 -7.619 3.673 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.809 1.625 -5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.773 1.283 -3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.744 2.541 -2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.035 -0.836 -3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.717 1.985 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.709 -2.571 -3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.384 0.241 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.343 -2.381 -0.451 1.00 0.00 H new ATOM 1093 N THR A 79 -11.239 1.801 -5.420 1.00 0.00 N ATOM 1094 CA THR A 79 -12.688 1.705 -5.348 1.00 0.00 C ATOM 1095 C THR A 79 -13.109 0.293 -4.934 1.00 0.00 C ATOM 1096 O THR A 79 -13.525 0.074 -3.798 1.00 0.00 O ATOM 1097 CB THR A 79 -13.258 2.137 -6.701 1.00 0.00 C ATOM 1098 OG1 THR A 79 -12.667 1.234 -7.631 1.00 0.00 O ATOM 1099 CG2 THR A 79 -12.746 3.511 -7.139 1.00 0.00 C ATOM 0 H THR A 79 -10.807 1.212 -6.132 1.00 0.00 H new ATOM 0 HA THR A 79 -13.091 2.368 -4.582 1.00 0.00 H new ATOM 0 HB THR A 79 -14.347 2.155 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.984 1.442 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.180 3.770 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.033 4.259 -6.400 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.660 3.484 -7.225 1.00 0.00 H new ATOM 1107 N SER A 80 -12.987 -0.627 -5.880 1.00 0.00 N ATOM 1108 CA SER A 80 -13.338 -2.014 -5.624 1.00 0.00 C ATOM 1109 C SER A 80 -12.625 -2.927 -6.622 1.00 0.00 C ATOM 1110 O SER A 80 -12.040 -2.453 -7.596 1.00 0.00 O ATOM 1111 CB SER A 80 -14.852 -2.222 -5.702 1.00 0.00 C ATOM 1112 OG SER A 80 -15.370 -1.897 -6.989 1.00 0.00 O ATOM 0 H SER A 80 -12.650 -0.439 -6.824 1.00 0.00 H new ATOM 0 HA SER A 80 -13.015 -2.268 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.088 -3.260 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.342 -1.606 -4.948 1.00 0.00 H new ATOM 0 HG SER A 80 -16.339 -2.045 -6.999 1.00 0.00 H new ATOM 1117 N GLY A 81 -12.694 -4.221 -6.346 1.00 0.00 N ATOM 1118 CA GLY A 81 -12.205 -5.214 -7.287 1.00 0.00 C ATOM 1119 C GLY A 81 -10.757 -5.599 -6.976 1.00 0.00 C ATOM 1120 O GLY A 81 -10.370 -5.685 -5.812 1.00 0.00 O ATOM 0 H GLY A 81 -13.081 -4.605 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.837 -6.101 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.271 -4.822 -8.302 1.00 0.00 H new ATOM 1124 N PHE A 82 -9.996 -5.819 -8.037 1.00 0.00 N ATOM 1125 CA PHE A 82 -8.615 -6.248 -7.892 1.00 0.00 C ATOM 1126 C PHE A 82 -7.697 -5.056 -7.608 1.00 0.00 C ATOM 1127 O PHE A 82 -8.103 -3.906 -7.763 1.00 0.00 O ATOM 1128 CB PHE A 82 -8.204 -6.887 -9.220 1.00 0.00 C ATOM 1129 CG PHE A 82 -8.791 -8.282 -9.447 1.00 0.00 C ATOM 1130 CD1 PHE A 82 -10.084 -8.418 -9.847 1.00 0.00 C ATOM 1131 CD2 PHE A 82 -8.020 -9.385 -9.250 1.00 0.00 C ATOM 1132 CE1 PHE A 82 -10.629 -9.712 -10.058 1.00 0.00 C ATOM 1133 CE2 PHE A 82 -8.566 -10.679 -9.460 1.00 0.00 C ATOM 1134 CZ PHE A 82 -9.858 -10.815 -9.861 1.00 0.00 C ATOM 0 H PHE A 82 -10.309 -5.708 -9.001 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.528 -6.946 -7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.515 -6.236 -10.037 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.117 -6.951 -9.260 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.696 -7.542 -10.004 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.993 -9.277 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.656 -9.820 -10.375 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.955 -11.555 -9.301 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.272 -11.799 -10.023 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.479 -5.374 -7.197 1.00 0.00 N ATOM 1144 CA ARG A 83 -5.512 -4.344 -6.854 1.00 0.00 C ATOM 1145 C ARG A 83 -5.042 -3.617 -8.115 1.00 0.00 C ATOM 1146 O ARG A 83 -5.150 -4.147 -9.219 1.00 0.00 O ATOM 1147 CB ARG A 83 -4.301 -4.944 -6.137 1.00 0.00 C ATOM 1148 CG ARG A 83 -4.476 -4.881 -4.618 1.00 0.00 C ATOM 1149 CD ARG A 83 -5.490 -5.921 -4.140 1.00 0.00 C ATOM 1150 NE ARG A 83 -6.862 -5.491 -4.491 1.00 0.00 N ATOM 1151 CZ ARG A 83 -7.405 -4.328 -4.106 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -6.819 -3.600 -3.146 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.535 -3.894 -4.681 1.00 0.00 N ATOM 0 H ARG A 83 -6.139 -6.330 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.002 -3.637 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.166 -5.980 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.399 -4.404 -6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.516 -5.052 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.808 -3.884 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.275 -6.887 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.406 -6.053 -3.061 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.429 -6.119 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.959 -3.931 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.233 -2.715 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.981 -4.449 -5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.949 -3.009 -4.388 1.00 0.00 H new ATOM 1164 N ASN A 84 -4.529 -2.413 -7.908 1.00 0.00 N ATOM 1165 CA ASN A 84 -4.450 -1.438 -8.982 1.00 0.00 C ATOM 1166 C ASN A 84 -2.985 -1.067 -9.221 1.00 0.00 C ATOM 1167 O ASN A 84 -2.083 -1.823 -8.864 1.00 0.00 O ATOM 1168 CB ASN A 84 -5.209 -0.159 -8.624 1.00 0.00 C ATOM 1169 CG ASN A 84 -4.471 0.631 -7.542 1.00 0.00 C ATOM 1170 OD1 ASN A 84 -3.507 0.175 -6.952 1.00 0.00 O ATOM 1171 ND2 ASN A 84 -4.979 1.840 -7.315 1.00 0.00 N ATOM 0 H ASN A 84 -4.164 -2.091 -7.012 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.894 -1.882 -9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.327 0.459 -9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.211 -0.411 -8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.558 2.446 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.789 2.161 -7.846 1.00 0.00 H new ATOM 1177 N SER A 85 -2.794 0.098 -9.823 1.00 0.00 N ATOM 1178 CA SER A 85 -1.453 0.572 -10.126 1.00 0.00 C ATOM 1179 C SER A 85 -1.123 1.791 -9.263 1.00 0.00 C ATOM 1180 O SER A 85 -0.001 1.926 -8.777 1.00 0.00 O ATOM 1181 CB SER A 85 -1.315 0.919 -11.610 1.00 0.00 C ATOM 1182 OG SER A 85 -2.416 1.689 -12.084 1.00 0.00 O ATOM 0 H SER A 85 -3.544 0.727 -10.109 1.00 0.00 H new ATOM 0 HA SER A 85 -0.747 -0.227 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.390 1.474 -11.768 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.239 0.000 -12.191 1.00 0.00 H new ATOM 0 HG SER A 85 -2.092 2.549 -12.424 1.00 0.00 H new ATOM 1187 N ASP A 86 -2.120 2.649 -9.099 1.00 0.00 N ATOM 1188 CA ASP A 86 -1.983 3.796 -8.218 1.00 0.00 C ATOM 1189 C ASP A 86 -1.738 3.310 -6.789 1.00 0.00 C ATOM 1190 O ASP A 86 -2.605 2.676 -6.187 1.00 0.00 O ATOM 1191 CB ASP A 86 -3.255 4.645 -8.218 1.00 0.00 C ATOM 1192 CG ASP A 86 -3.834 4.945 -9.602 1.00 0.00 C ATOM 1193 OD1 ASP A 86 -3.039 4.913 -10.567 1.00 0.00 O ATOM 1194 OD2 ASP A 86 -5.056 5.200 -9.664 1.00 0.00 O ATOM 0 H ASP A 86 -3.026 2.572 -9.562 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.148 4.398 -8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.015 4.134 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.043 5.590 -7.717 1.00 0.00 H new ATOM 1198 N ARG A 87 -0.554 3.624 -6.284 1.00 0.00 N ATOM 1199 CA ARG A 87 -0.220 3.312 -4.905 1.00 0.00 C ATOM 1200 C ARG A 87 0.791 4.323 -4.362 1.00 0.00 C ATOM 1201 O ARG A 87 1.693 4.752 -5.080 1.00 0.00 O ATOM 1202 CB ARG A 87 0.364 1.903 -4.785 1.00 0.00 C ATOM 1203 CG ARG A 87 -0.697 0.843 -5.088 1.00 0.00 C ATOM 1204 CD ARG A 87 -0.205 -0.553 -4.697 1.00 0.00 C ATOM 1205 NE ARG A 87 -0.180 -1.433 -5.887 1.00 0.00 N ATOM 1206 CZ ARG A 87 -0.256 -2.769 -5.834 1.00 0.00 C ATOM 1207 NH1 ARG A 87 0.013 -3.411 -4.690 1.00 0.00 N ATOM 1208 NH2 ARG A 87 -0.603 -3.464 -6.927 1.00 0.00 N ATOM 0 H ARG A 87 0.187 4.092 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.139 3.363 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.201 1.792 -5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.757 1.753 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.613 1.075 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.942 0.862 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.792 -0.487 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.858 -0.977 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.100 -0.995 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.276 -2.882 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.045 -4.429 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.809 -2.975 -7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.661 -4.482 -6.887 1.00 0.00 H new ATOM 1219 N ILE A 88 0.606 4.676 -3.097 1.00 0.00 N ATOM 1220 CA ILE A 88 1.516 5.597 -2.437 1.00 0.00 C ATOM 1221 C ILE A 88 2.608 4.801 -1.720 1.00 0.00 C ATOM 1222 O ILE A 88 2.320 3.820 -1.036 1.00 0.00 O ATOM 1223 CB ILE A 88 0.743 6.546 -1.519 1.00 0.00 C ATOM 1224 CG1 ILE A 88 1.593 7.764 -1.150 1.00 0.00 C ATOM 1225 CG2 ILE A 88 0.227 5.812 -0.281 1.00 0.00 C ATOM 1226 CD1 ILE A 88 0.817 8.719 -0.242 1.00 0.00 C ATOM 0 H ILE A 88 -0.160 4.341 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 88 2.014 6.233 -3.169 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.128 6.913 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.503 7.438 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.899 8.286 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.319 6.510 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.438 5.004 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.069 5.398 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.444 9.576 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.080 9.062 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.534 8.200 0.674 1.00 0.00 H new ATOM 1237 N LEU A 89 3.840 5.254 -1.900 1.00 0.00 N ATOM 1238 CA LEU A 89 4.952 4.729 -1.124 1.00 0.00 C ATOM 1239 C LEU A 89 5.305 5.720 -0.013 1.00 0.00 C ATOM 1240 O LEU A 89 5.274 6.931 -0.224 1.00 0.00 O ATOM 1241 CB LEU A 89 6.129 4.386 -2.040 1.00 0.00 C ATOM 1242 CG LEU A 89 5.934 3.178 -2.958 1.00 0.00 C ATOM 1243 CD1 LEU A 89 6.027 1.869 -2.171 1.00 0.00 C ATOM 1244 CD2 LEU A 89 4.622 3.287 -3.737 1.00 0.00 C ATOM 0 H LEU A 89 4.093 5.979 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 89 4.672 3.794 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.348 5.256 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.007 4.208 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 89 6.743 3.171 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.885 1.027 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.008 1.796 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.255 1.851 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.508 2.416 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.787 3.333 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.635 4.190 -4.347 1.00 0.00 H new ATOM 1255 N TYR A 90 5.631 5.167 1.146 1.00 0.00 N ATOM 1256 CA TYR A 90 6.190 5.966 2.224 1.00 0.00 C ATOM 1257 C TYR A 90 7.149 5.136 3.079 1.00 0.00 C ATOM 1258 O TYR A 90 6.823 4.020 3.481 1.00 0.00 O ATOM 1259 CB TYR A 90 5.002 6.399 3.086 1.00 0.00 C ATOM 1260 CG TYR A 90 4.175 5.237 3.638 1.00 0.00 C ATOM 1261 CD1 TYR A 90 3.266 4.590 2.824 1.00 0.00 C ATOM 1262 CD2 TYR A 90 4.338 4.834 4.947 1.00 0.00 C ATOM 1263 CE1 TYR A 90 2.487 3.496 3.343 1.00 0.00 C ATOM 1264 CE2 TYR A 90 3.559 3.740 5.466 1.00 0.00 C ATOM 1265 CZ TYR A 90 2.672 3.125 4.638 1.00 0.00 C ATOM 1266 OH TYR A 90 1.937 2.091 5.128 1.00 0.00 O ATOM 0 H TYR A 90 5.519 4.177 1.362 1.00 0.00 H new ATOM 0 HA TYR A 90 6.749 6.813 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.370 6.997 3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.353 7.044 2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.140 4.905 1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.050 5.339 5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.772 2.982 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.676 3.415 6.489 1.00 0.00 H new ATOM 0 HH TYR A 90 2.175 1.936 6.066 1.00 0.00 H new ATOM 1275 N SER A 91 8.314 5.713 3.334 1.00 0.00 N ATOM 1276 CA SER A 91 9.320 5.044 4.141 1.00 0.00 C ATOM 1277 C SER A 91 9.154 5.432 5.611 1.00 0.00 C ATOM 1278 O SER A 91 8.343 6.294 5.942 1.00 0.00 O ATOM 1279 CB SER A 91 10.731 5.389 3.659 1.00 0.00 C ATOM 1280 OG SER A 91 10.966 6.794 3.654 1.00 0.00 O ATOM 0 H SER A 91 8.584 6.637 2.996 1.00 0.00 H new ATOM 0 HA SER A 91 9.181 3.968 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.463 4.902 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.877 4.994 2.654 1.00 0.00 H new ATOM 0 HG SER A 91 11.744 6.998 4.214 1.00 0.00 H new ATOM 1285 N SER A 92 9.935 4.774 6.456 1.00 0.00 N ATOM 1286 CA SER A 92 9.903 5.055 7.881 1.00 0.00 C ATOM 1287 C SER A 92 10.286 6.515 8.134 1.00 0.00 C ATOM 1288 O SER A 92 9.687 7.180 8.978 1.00 0.00 O ATOM 1289 CB SER A 92 10.838 4.119 8.649 1.00 0.00 C ATOM 1290 OG SER A 92 12.200 4.530 8.554 1.00 0.00 O ATOM 0 H SER A 92 10.594 4.046 6.180 1.00 0.00 H new ATOM 0 HA SER A 92 8.888 4.884 8.241 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.540 4.089 9.697 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.737 3.106 8.260 1.00 0.00 H new ATOM 0 HG SER A 92 12.765 3.908 9.059 1.00 0.00 H new ATOM 1295 N ASP A 93 11.282 6.970 7.388 1.00 0.00 N ATOM 1296 CA ASP A 93 11.832 8.297 7.603 1.00 0.00 C ATOM 1297 C ASP A 93 10.955 9.329 6.890 1.00 0.00 C ATOM 1298 O ASP A 93 11.186 10.531 7.008 1.00 0.00 O ATOM 1299 CB ASP A 93 13.248 8.405 7.034 1.00 0.00 C ATOM 1300 CG ASP A 93 13.321 8.755 5.546 1.00 0.00 C ATOM 1301 OD1 ASP A 93 13.182 7.814 4.735 1.00 0.00 O ATOM 1302 OD2 ASP A 93 13.516 9.954 5.254 1.00 0.00 O ATOM 0 H ASP A 93 11.722 6.443 6.634 1.00 0.00 H new ATOM 0 HA ASP A 93 11.860 8.481 8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.793 9.162 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 93 13.761 7.457 7.195 1.00 0.00 H new ATOM 1306 N TRP A 94 9.968 8.821 6.167 1.00 0.00 N ATOM 1307 CA TRP A 94 8.933 9.675 5.609 1.00 0.00 C ATOM 1308 C TRP A 94 9.543 10.455 4.442 1.00 0.00 C ATOM 1309 O TRP A 94 9.414 11.676 4.373 1.00 0.00 O ATOM 1310 CB TRP A 94 8.331 10.580 6.684 1.00 0.00 C ATOM 1311 CG TRP A 94 7.831 9.832 7.920 1.00 0.00 C ATOM 1312 CD1 TRP A 94 8.318 9.881 9.169 1.00 0.00 C ATOM 1313 CD2 TRP A 94 6.718 8.914 7.979 1.00 0.00 C ATOM 1314 NE1 TRP A 94 7.604 9.064 10.022 1.00 0.00 N ATOM 1315 CE2 TRP A 94 6.600 8.457 9.275 1.00 0.00 C ATOM 1316 CE3 TRP A 94 5.841 8.483 6.967 1.00 0.00 C ATOM 1317 CZ2 TRP A 94 5.617 7.548 9.682 1.00 0.00 C ATOM 1318 CZ3 TRP A 94 4.864 7.574 7.389 1.00 0.00 C ATOM 1319 CH2 TRP A 94 4.732 7.105 8.692 1.00 0.00 C ATOM 0 H TRP A 94 9.863 7.829 5.955 1.00 0.00 H new ATOM 0 HA TRP A 94 8.102 9.079 5.233 1.00 0.00 H new ATOM 0 HB2 TRP A 94 9.081 11.309 6.992 1.00 0.00 H new ATOM 0 HB3 TRP A 94 7.502 11.139 6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 94 9.162 10.484 9.469 1.00 0.00 H new ATOM 0 HE1 TRP A 94 7.780 8.930 11.018 1.00 0.00 H new ATOM 0 HE3 TRP A 94 5.916 8.826 5.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 5.545 7.207 10.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 4.163 7.211 6.651 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.950 6.402 8.939 1.00 0.00 H new ATOM 1329 N LEU A 95 10.194 9.717 3.554 1.00 0.00 N ATOM 1330 CA LEU A 95 10.119 10.016 2.134 1.00 0.00 C ATOM 1331 C LEU A 95 8.844 9.399 1.554 1.00 0.00 C ATOM 1332 O LEU A 95 8.562 8.223 1.778 1.00 0.00 O ATOM 1333 CB LEU A 95 11.398 9.568 1.424 1.00 0.00 C ATOM 1334 CG LEU A 95 12.617 10.473 1.605 1.00 0.00 C ATOM 1335 CD1 LEU A 95 13.914 9.664 1.554 1.00 0.00 C ATOM 1336 CD2 LEU A 95 12.612 11.611 0.581 1.00 0.00 C ATOM 0 H LEU A 95 10.775 8.913 3.791 1.00 0.00 H new ATOM 0 HA LEU A 95 10.054 11.092 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.656 8.570 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.188 9.484 0.358 1.00 0.00 H new ATOM 0 HG LEU A 95 12.560 10.928 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.765 10.332 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.910 8.920 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.992 9.162 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.489 12.240 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.633 11.194 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.710 12.210 0.707 1.00 0.00 H new ATOM 1347 N ILE A 96 8.109 10.221 0.819 1.00 0.00 N ATOM 1348 CA ILE A 96 6.906 9.753 0.152 1.00 0.00 C ATOM 1349 C ILE A 96 7.046 9.970 -1.356 1.00 0.00 C ATOM 1350 O ILE A 96 7.434 11.050 -1.798 1.00 0.00 O ATOM 1351 CB ILE A 96 5.666 10.418 0.755 1.00 0.00 C ATOM 1352 CG1 ILE A 96 5.668 10.298 2.280 1.00 0.00 C ATOM 1353 CG2 ILE A 96 4.386 9.854 0.136 1.00 0.00 C ATOM 1354 CD1 ILE A 96 4.307 10.688 2.862 1.00 0.00 C ATOM 0 H ILE A 96 8.323 11.207 0.671 1.00 0.00 H new ATOM 0 HA ILE A 96 6.776 8.682 0.310 1.00 0.00 H new ATOM 0 HB ILE A 96 5.697 11.481 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.911 9.275 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.444 10.940 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.520 10.343 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.391 10.035 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.333 8.782 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.335 10.594 3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.078 11.719 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.537 10.029 2.461 1.00 0.00 H new ATOM 1365 N TYR A 97 6.726 8.924 -2.104 1.00 0.00 N ATOM 1366 CA TYR A 97 6.549 9.058 -3.540 1.00 0.00 C ATOM 1367 C TYR A 97 5.170 8.554 -3.972 1.00 0.00 C ATOM 1368 O TYR A 97 4.404 8.050 -3.152 1.00 0.00 O ATOM 1369 CB TYR A 97 7.623 8.177 -4.181 1.00 0.00 C ATOM 1370 CG TYR A 97 9.032 8.771 -4.121 1.00 0.00 C ATOM 1371 CD1 TYR A 97 9.738 8.756 -2.935 1.00 0.00 C ATOM 1372 CD2 TYR A 97 9.597 9.323 -5.253 1.00 0.00 C ATOM 1373 CE1 TYR A 97 11.064 9.315 -2.879 1.00 0.00 C ATOM 1374 CE2 TYR A 97 10.923 9.883 -5.197 1.00 0.00 C ATOM 1375 CZ TYR A 97 11.591 9.851 -4.012 1.00 0.00 C ATOM 1376 OH TYR A 97 12.843 10.380 -3.959 1.00 0.00 O ATOM 0 H TYR A 97 6.585 7.981 -1.743 1.00 0.00 H new ATOM 0 HA TYR A 97 6.630 10.103 -3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.627 7.207 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.359 8.000 -5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.296 8.325 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.045 9.335 -6.181 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.627 9.309 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.376 10.318 -6.075 1.00 0.00 H new ATOM 0 HH TYR A 97 13.090 10.726 -4.842 1.00 0.00 H new ATOM 1385 N LYS A 98 4.896 8.708 -5.259 1.00 0.00 N ATOM 1386 CA LYS A 98 3.716 8.101 -5.851 1.00 0.00 C ATOM 1387 C LYS A 98 4.135 7.247 -7.050 1.00 0.00 C ATOM 1388 O LYS A 98 5.222 7.428 -7.596 1.00 0.00 O ATOM 1389 CB LYS A 98 2.675 9.169 -6.190 1.00 0.00 C ATOM 1390 CG LYS A 98 3.233 10.180 -7.194 1.00 0.00 C ATOM 1391 CD LYS A 98 2.136 11.123 -7.691 1.00 0.00 C ATOM 1392 CE LYS A 98 1.415 10.534 -8.905 1.00 0.00 C ATOM 1393 NZ LYS A 98 2.272 10.623 -10.109 1.00 0.00 N ATOM 0 H LYS A 98 5.471 9.244 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 98 3.232 7.434 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.784 8.695 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.369 9.686 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.031 10.758 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.674 9.652 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.419 11.306 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.572 12.087 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.156 9.493 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.481 11.069 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.686 10.512 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.744 11.549 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.989 9.870 -10.081 1.00 0.00 H new ATOM 1403 N THR A 99 3.249 6.337 -7.425 1.00 0.00 N ATOM 1404 CA THR A 99 3.339 5.696 -8.726 1.00 0.00 C ATOM 1405 C THR A 99 1.945 5.338 -9.243 1.00 0.00 C ATOM 1406 O THR A 99 1.089 4.897 -8.477 1.00 0.00 O ATOM 1407 CB THR A 99 4.267 4.486 -8.594 1.00 0.00 C ATOM 1408 OG1 THR A 99 3.974 3.697 -9.743 1.00 0.00 O ATOM 1409 CG2 THR A 99 3.889 3.584 -7.417 1.00 0.00 C ATOM 0 H THR A 99 2.465 6.028 -6.851 1.00 0.00 H new ATOM 0 HA THR A 99 3.763 6.370 -9.470 1.00 0.00 H new ATOM 0 HB THR A 99 5.295 4.828 -8.474 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.502 4.018 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.578 2.741 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.946 4.153 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.873 3.214 -7.554 1.00 0.00 H new ATOM 1417 N THR A 100 1.759 5.541 -10.539 1.00 0.00 N ATOM 1418 CA THR A 100 0.459 5.325 -11.152 1.00 0.00 C ATOM 1419 C THR A 100 0.536 4.195 -12.180 1.00 0.00 C ATOM 1420 O THR A 100 -0.426 3.942 -12.902 1.00 0.00 O ATOM 1421 CB THR A 100 -0.012 6.655 -11.744 1.00 0.00 C ATOM 1422 OG1 THR A 100 1.147 7.179 -12.387 1.00 0.00 O ATOM 1423 CG2 THR A 100 -0.343 7.691 -10.667 1.00 0.00 C ATOM 0 H THR A 100 2.487 5.853 -11.182 1.00 0.00 H new ATOM 0 HA THR A 100 -0.277 5.002 -10.416 1.00 0.00 H new ATOM 0 HB THR A 100 -0.891 6.485 -12.365 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.931 8.041 -12.800 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.672 8.616 -11.141 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.138 7.309 -10.026 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.545 7.887 -10.066 1.00 0.00 H new ATOM 1431 N ASP A 101 1.691 3.546 -12.213 1.00 0.00 N ATOM 1432 CA ASP A 101 2.079 2.767 -13.378 1.00 0.00 C ATOM 1433 C ASP A 101 2.630 1.415 -12.920 1.00 0.00 C ATOM 1434 O ASP A 101 3.380 0.769 -13.649 1.00 0.00 O ATOM 1435 CB ASP A 101 3.173 3.477 -14.176 1.00 0.00 C ATOM 1436 CG ASP A 101 4.186 4.256 -13.334 1.00 0.00 C ATOM 1437 OD1 ASP A 101 4.768 3.629 -12.423 1.00 0.00 O ATOM 1438 OD2 ASP A 101 4.355 5.461 -13.621 1.00 0.00 O ATOM 0 H ASP A 101 2.371 3.543 -11.452 1.00 0.00 H new ATOM 0 HA ASP A 101 1.198 2.640 -14.008 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.709 2.735 -14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.701 4.165 -14.878 1.00 0.00 H new ATOM 1442 N HIS A 102 2.234 1.028 -11.716 1.00 0.00 N ATOM 1443 CA HIS A 102 2.625 -0.266 -11.180 1.00 0.00 C ATOM 1444 C HIS A 102 4.152 -0.348 -11.103 1.00 0.00 C ATOM 1445 O HIS A 102 4.764 -1.204 -11.739 1.00 0.00 O ATOM 1446 CB HIS A 102 2.011 -1.402 -12.001 1.00 0.00 C ATOM 1447 CG HIS A 102 2.025 -2.740 -11.303 1.00 0.00 C ATOM 1448 ND1 HIS A 102 1.045 -3.128 -10.406 1.00 0.00 N ATOM 1449 CD2 HIS A 102 2.909 -3.776 -11.378 1.00 0.00 C ATOM 1450 CE1 HIS A 102 1.336 -4.344 -9.968 1.00 0.00 C ATOM 1451 NE2 HIS A 102 2.492 -4.744 -10.571 1.00 0.00 N ATOM 0 H HIS A 102 1.647 1.587 -11.097 1.00 0.00 H new ATOM 0 HA HIS A 102 2.237 -0.377 -10.167 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.981 -1.143 -12.248 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.552 -1.489 -12.943 1.00 0.00 H new ATOM 0 HD2 HIS A 102 3.798 -3.804 -11.991 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.759 -4.918 -9.258 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.959 -5.639 -10.426 1.00 0.00 H new ATOM 1458 N TYR A 103 4.721 0.553 -10.316 1.00 0.00 N ATOM 1459 CA TYR A 103 6.136 0.478 -9.994 1.00 0.00 C ATOM 1460 C TYR A 103 6.988 0.477 -11.266 1.00 0.00 C ATOM 1461 O TYR A 103 7.883 -0.352 -11.416 1.00 0.00 O ATOM 1462 CB TYR A 103 6.332 -0.850 -9.262 1.00 0.00 C ATOM 1463 CG TYR A 103 5.325 -1.095 -8.137 1.00 0.00 C ATOM 1464 CD1 TYR A 103 5.241 -0.212 -7.080 1.00 0.00 C ATOM 1465 CD2 TYR A 103 4.500 -2.201 -8.179 1.00 0.00 C ATOM 1466 CE1 TYR A 103 4.292 -0.442 -6.022 1.00 0.00 C ATOM 1467 CE2 TYR A 103 3.552 -2.431 -7.120 1.00 0.00 C ATOM 1468 CZ TYR A 103 3.494 -1.541 -6.094 1.00 0.00 C ATOM 1469 OH TYR A 103 2.599 -1.759 -5.094 1.00 0.00 O ATOM 0 H TYR A 103 4.228 1.339 -9.892 1.00 0.00 H new ATOM 0 HA TYR A 103 6.439 1.335 -9.393 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.261 -1.664 -9.983 1.00 0.00 H new ATOM 0 HB3 TYR A 103 7.339 -0.879 -8.847 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.888 0.652 -7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.566 -2.893 -9.005 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.216 0.243 -5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.901 -3.292 -7.140 1.00 0.00 H new ATOM 0 HH TYR A 103 2.949 -1.391 -4.256 1.00 0.00 H new ATOM 1478 N GLN A 104 6.679 1.416 -12.148 1.00 0.00 N ATOM 1479 CA GLN A 104 7.577 1.738 -13.244 1.00 0.00 C ATOM 1480 C GLN A 104 8.383 2.997 -12.918 1.00 0.00 C ATOM 1481 O GLN A 104 9.612 2.977 -12.953 1.00 0.00 O ATOM 1482 CB GLN A 104 6.804 1.906 -14.554 1.00 0.00 C ATOM 1483 CG GLN A 104 6.180 0.580 -14.996 1.00 0.00 C ATOM 1484 CD GLN A 104 6.983 -0.051 -16.134 1.00 0.00 C ATOM 1485 OE1 GLN A 104 7.817 -0.919 -15.933 1.00 0.00 O ATOM 1486 NE2 GLN A 104 6.687 0.431 -17.338 1.00 0.00 N ATOM 0 H GLN A 104 5.819 1.964 -12.126 1.00 0.00 H new ATOM 0 HA GLN A 104 8.272 0.909 -13.374 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.023 2.655 -14.426 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.474 2.274 -15.331 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.139 -0.107 -14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.153 0.747 -15.320 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.978 1.158 -17.436 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.169 0.074 -18.163 1.00 0.00 H new ATOM 1493 N THR A 105 7.658 4.061 -12.608 1.00 0.00 N ATOM 1494 CA THR A 105 8.290 5.335 -12.305 1.00 0.00 C ATOM 1495 C THR A 105 7.600 6.002 -11.114 1.00 0.00 C ATOM 1496 O THR A 105 6.404 5.811 -10.898 1.00 0.00 O ATOM 1497 CB THR A 105 8.268 6.187 -13.576 1.00 0.00 C ATOM 1498 OG1 THR A 105 6.926 6.081 -14.042 1.00 0.00 O ATOM 1499 CG2 THR A 105 9.104 5.578 -14.704 1.00 0.00 C ATOM 0 H THR A 105 6.639 4.068 -12.560 1.00 0.00 H new ATOM 0 HA THR A 105 9.329 5.200 -12.005 1.00 0.00 H new ATOM 0 HB THR A 105 8.639 7.187 -13.349 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.317 6.025 -13.276 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.054 6.222 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.141 5.486 -14.380 1.00 0.00 H new ATOM 0 HG23 THR A 105 8.713 4.592 -14.955 1.00 0.00 H new ATOM 1507 N PHE A 106 8.384 6.771 -10.372 1.00 0.00 N ATOM 1508 CA PHE A 106 7.881 7.414 -9.171 1.00 0.00 C ATOM 1509 C PHE A 106 8.184 8.914 -9.183 1.00 0.00 C ATOM 1510 O PHE A 106 9.149 9.349 -9.808 1.00 0.00 O ATOM 1511 CB PHE A 106 8.600 6.769 -7.983 1.00 0.00 C ATOM 1512 CG PHE A 106 8.390 5.258 -7.874 1.00 0.00 C ATOM 1513 CD1 PHE A 106 9.018 4.419 -8.741 1.00 0.00 C ATOM 1514 CD2 PHE A 106 7.575 4.754 -6.909 1.00 0.00 C ATOM 1515 CE1 PHE A 106 8.822 3.017 -8.639 1.00 0.00 C ATOM 1516 CE2 PHE A 106 7.379 3.351 -6.807 1.00 0.00 C ATOM 1517 CZ PHE A 106 8.008 2.512 -7.674 1.00 0.00 C ATOM 0 H PHE A 106 9.364 6.963 -10.580 1.00 0.00 H new ATOM 0 HA PHE A 106 6.800 7.290 -9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 106 9.668 6.972 -8.064 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.255 7.241 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.666 4.820 -9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.077 5.420 -6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.320 2.351 -9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.731 2.950 -6.042 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.861 1.445 -7.596 1.00 0.00 H new ATOM 1526 N THR A 107 7.342 9.660 -8.485 1.00 0.00 N ATOM 1527 CA THR A 107 7.550 11.092 -8.346 1.00 0.00 C ATOM 1528 C THR A 107 7.415 11.511 -6.881 1.00 0.00 C ATOM 1529 O THR A 107 6.495 11.077 -6.190 1.00 0.00 O ATOM 1530 CB THR A 107 6.566 11.805 -9.275 1.00 0.00 C ATOM 1531 OG1 THR A 107 6.960 11.392 -10.581 1.00 0.00 O ATOM 1532 CG2 THR A 107 6.767 13.322 -9.288 1.00 0.00 C ATOM 0 H THR A 107 6.514 9.301 -8.009 1.00 0.00 H new ATOM 0 HA THR A 107 8.561 11.375 -8.640 1.00 0.00 H new ATOM 0 HB THR A 107 5.546 11.577 -8.967 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.373 11.807 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.043 13.779 -9.963 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.624 13.717 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.777 13.552 -9.628 1.00 0.00 H new ATOM 1540 N LYS A 108 8.346 12.351 -6.451 1.00 0.00 N ATOM 1541 CA LYS A 108 8.404 12.752 -5.055 1.00 0.00 C ATOM 1542 C LYS A 108 7.273 13.740 -4.766 1.00 0.00 C ATOM 1543 O LYS A 108 7.139 14.754 -5.449 1.00 0.00 O ATOM 1544 CB LYS A 108 9.794 13.290 -4.710 1.00 0.00 C ATOM 1545 CG LYS A 108 9.893 13.640 -3.224 1.00 0.00 C ATOM 1546 CD LYS A 108 11.227 14.319 -2.908 1.00 0.00 C ATOM 1547 CE LYS A 108 12.378 13.311 -2.945 1.00 0.00 C ATOM 1548 NZ LYS A 108 13.617 13.919 -2.411 1.00 0.00 N ATOM 0 H LYS A 108 9.065 12.764 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 108 8.250 11.891 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.549 12.546 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.005 14.175 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.071 14.299 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.791 12.734 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.413 15.116 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.178 14.784 -1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.117 12.430 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.543 12.976 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.388 13.222 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.874 14.746 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.461 14.217 -1.427 1.00 0.00 H new ATOM 1558 N ILE A 109 6.486 13.410 -3.752 1.00 0.00 N ATOM 1559 CA ILE A 109 5.410 14.287 -3.324 1.00 0.00 C ATOM 1560 C ILE A 109 5.689 14.772 -1.899 1.00 0.00 C ATOM 1561 O ILE A 109 5.083 15.737 -1.438 1.00 0.00 O ATOM 1562 CB ILE A 109 4.056 13.591 -3.481 1.00 0.00 C ATOM 1563 CG1 ILE A 109 4.017 12.283 -2.689 1.00 0.00 C ATOM 1564 CG2 ILE A 109 3.719 13.377 -4.958 1.00 0.00 C ATOM 1565 CD1 ILE A 109 2.585 11.760 -2.565 1.00 0.00 C ATOM 0 H ILE A 109 6.572 12.547 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 109 5.364 15.171 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 109 3.287 14.242 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.639 11.536 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.437 12.442 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.752 12.881 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.678 14.341 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.487 12.757 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.585 10.829 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.971 12.499 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.177 11.579 -3.559 1.00 0.00 H new ATOM 1576 N ARG A 110 6.608 14.079 -1.242 1.00 0.00 N ATOM 1577 CA ARG A 110 6.674 14.110 0.209 1.00 0.00 C ATOM 1578 C ARG A 110 5.332 14.560 0.791 1.00 0.00 C ATOM 1579 O ARG A 110 5.225 15.662 1.275 1.00 0.00 O ATOM 1580 CB ARG A 110 7.773 15.057 0.691 1.00 0.00 C ATOM 1581 CG ARG A 110 9.158 14.437 0.492 1.00 0.00 C ATOM 1582 CD ARG A 110 9.782 14.049 1.834 1.00 0.00 C ATOM 1583 NE ARG A 110 10.054 15.262 2.636 1.00 0.00 N ATOM 1584 CZ ARG A 110 10.520 15.245 3.892 1.00 0.00 C ATOM 1585 NH1 ARG A 110 10.763 14.075 4.500 1.00 0.00 N ATOM 1586 NH2 ARG A 110 10.742 16.395 4.541 1.00 0.00 N ATOM 0 H ARG A 110 7.313 13.493 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 110 6.904 13.101 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.711 15.999 0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.622 15.288 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.078 13.556 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.807 15.145 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.110 13.386 2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.708 13.498 1.668 1.00 0.00 H new ATOM 0 HE ARG A 110 9.875 16.169 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.593 13.199 4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.118 14.061 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 110 10.556 17.285 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.097 16.381 5.497 1.00 0.00 H new TER 1597 ARG A 110