USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 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 Single : A 1 ALA N :NH3+ -126:sc= 0.132 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -7.15! C(o=-7.2!,f=-8.2!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 102:sc= 0.0779 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 16 THR OG1 : rot 73:sc= 0.741 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.64 F(o=-2.4,f=-1.6) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.54! C(o=-3.5!,f=-7.6!) USER MOD Single : A 24 TYR OH : rot -22:sc= 0.346 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.396 (180deg=-1.61!) USER MOD Single : A 41 ASN : amide:sc= -4.55! C(o=-4.6!,f=-9!) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0195 (180deg=-0.419) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0981 USER MOD Single : A 58 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.176) USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= -0.267 (180deg=-1.3!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.423 K(o=-0.42,f=-2.6!) USER MOD Single : A 78 TYR OH : rot -8:sc= -0.422 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 80 SER OG : rot 54:sc= 0.0607 USER MOD Single : A 84 ASN : amide:sc= -3.24 X(o=-3.2,f=-3.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 72:sc= -5.25! USER MOD Single : A 91 SER OG : rot 100:sc= 0.894 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.15! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 69:sc= 0.0122 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot -103:sc= -1.35 USER MOD Single : A 104 GLN : amide:sc= -0.989 K(o=-0.99,f=-5!) USER MOD Single : A 105 THR OG1 : rot 111:sc= 0.82 USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.442 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.490 17.115 5.548 1.00 0.00 N ATOM 2 CA ALA A 1 9.095 17.570 5.811 1.00 0.00 C ATOM 3 C ALA A 1 8.200 16.353 6.051 1.00 0.00 C ATOM 4 O ALA A 1 8.672 15.244 6.209 1.00 0.00 O ATOM 5 CB ALA A 1 8.577 18.353 4.604 1.00 0.00 C ATOM 0 H1 ALA A 1 11.141 17.594 6.203 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.552 16.086 5.688 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.752 17.347 4.569 1.00 0.00 H new ATOM 0 HA ALA A 1 9.082 18.211 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.557 18.686 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.215 19.220 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.589 17.712 3.722 1.00 0.00 H new ATOM 13 N GLN A 2 6.911 16.550 6.080 1.00 0.00 N ATOM 14 CA GLN A 2 5.987 15.404 6.311 1.00 0.00 C ATOM 15 C GLN A 2 5.590 14.790 4.967 1.00 0.00 C ATOM 16 O GLN A 2 5.014 15.444 4.120 1.00 0.00 O ATOM 17 CB GLN A 2 4.735 15.900 7.036 1.00 0.00 C ATOM 18 CG GLN A 2 5.098 16.293 8.470 1.00 0.00 C ATOM 19 CD GLN A 2 3.819 16.473 9.290 1.00 0.00 C ATOM 20 OE1 GLN A 2 3.510 15.662 10.140 1.00 0.00 O ATOM 21 NE2 GLN A 2 3.056 17.508 9.067 1.00 0.00 N ATOM 0 H GLN A 2 6.457 17.455 5.954 1.00 0.00 H new ATOM 0 HA GLN A 2 6.486 14.650 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.312 16.755 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.973 15.121 7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.726 15.525 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.675 17.217 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.316 18.189 8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.200 17.636 9.607 1.00 0.00 H new ATOM 30 N VAL A 3 5.892 13.536 4.765 1.00 0.00 N ATOM 31 CA VAL A 3 5.531 12.880 3.476 1.00 0.00 C ATOM 32 C VAL A 3 4.166 12.203 3.613 1.00 0.00 C ATOM 33 O VAL A 3 3.667 12.007 4.704 1.00 0.00 O ATOM 34 CB VAL A 3 6.589 11.828 3.128 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.848 12.522 2.606 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.935 11.023 4.382 1.00 0.00 C ATOM 0 H VAL A 3 6.373 12.938 5.437 1.00 0.00 H new ATOM 0 HA VAL A 3 5.487 13.629 2.686 1.00 0.00 H new ATOM 0 HB VAL A 3 6.199 11.160 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.600 11.773 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.603 13.098 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.240 13.190 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.688 10.274 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.326 11.693 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.039 10.528 4.756 1.00 0.00 H new ATOM 46 N ILE A 4 3.556 11.844 2.516 1.00 0.00 N ATOM 47 CA ILE A 4 2.224 11.179 2.587 1.00 0.00 C ATOM 48 C ILE A 4 2.415 9.663 2.644 1.00 0.00 C ATOM 49 O ILE A 4 2.390 8.985 1.636 1.00 0.00 O ATOM 50 CB ILE A 4 1.404 11.543 1.348 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.293 13.065 1.236 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.003 10.939 1.466 1.00 0.00 C ATOM 53 CD1 ILE A 4 1.498 13.486 -0.220 1.00 0.00 C ATOM 0 H ILE A 4 3.922 11.982 1.574 1.00 0.00 H new ATOM 0 HA ILE A 4 1.698 11.514 3.481 1.00 0.00 H new ATOM 0 HB ILE A 4 1.897 11.148 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.316 13.396 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.038 13.542 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.581 11.199 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.080 9.855 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.489 11.333 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.419 14.570 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.485 13.169 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.736 13.020 -0.844 1.00 0.00 H new ATOM 65 N ASN A 5 2.610 9.122 3.817 1.00 0.00 N ATOM 66 CA ASN A 5 2.804 7.650 3.937 1.00 0.00 C ATOM 67 C ASN A 5 2.001 7.124 5.127 1.00 0.00 C ATOM 68 O ASN A 5 2.545 6.551 6.051 1.00 0.00 O ATOM 69 CB ASN A 5 4.289 7.347 4.147 1.00 0.00 C ATOM 70 CG ASN A 5 4.793 8.097 5.382 1.00 0.00 C ATOM 71 OD1 ASN A 5 5.135 9.260 5.302 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.855 7.476 6.528 1.00 0.00 N ATOM 0 H ASN A 5 2.643 9.637 4.697 1.00 0.00 H new ATOM 0 HA ASN A 5 2.460 7.163 3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.438 6.275 4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.860 7.647 3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.191 7.967 7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.568 6.500 6.595 1.00 0.00 H new ATOM 79 N THR A 6 0.710 7.312 5.115 1.00 0.00 N ATOM 80 CA THR A 6 -0.126 6.822 6.245 1.00 0.00 C ATOM 81 C THR A 6 -1.508 6.424 5.722 1.00 0.00 C ATOM 82 O THR A 6 -1.722 6.311 4.531 1.00 0.00 O ATOM 83 CB THR A 6 -0.275 7.932 7.288 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.097 9.194 6.661 1.00 0.00 O ATOM 85 CG2 THR A 6 0.777 7.749 8.383 1.00 0.00 C ATOM 0 H THR A 6 0.198 7.785 4.370 1.00 0.00 H new ATOM 0 HA THR A 6 0.352 5.956 6.702 1.00 0.00 H new ATOM 0 HB THR A 6 -1.269 7.884 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.194 9.907 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.671 8.540 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.638 6.780 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.773 7.797 7.942 1.00 0.00 H new ATOM 93 N PHE A 7 -2.447 6.211 6.602 1.00 0.00 N ATOM 94 CA PHE A 7 -3.812 5.821 6.152 1.00 0.00 C ATOM 95 C PHE A 7 -4.549 7.059 5.636 1.00 0.00 C ATOM 96 O PHE A 7 -4.954 7.119 4.494 1.00 0.00 O ATOM 97 CB PHE A 7 -4.585 5.223 7.329 1.00 0.00 C ATOM 98 CG PHE A 7 -4.110 3.813 7.578 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.276 2.831 6.594 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.504 3.487 8.797 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.836 1.523 6.828 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.064 2.179 9.032 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.229 1.197 8.047 1.00 0.00 C ATOM 0 H PHE A 7 -2.328 6.290 7.612 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.736 5.082 5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.437 5.831 8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.654 5.226 7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.744 3.083 5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.376 4.244 9.556 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.965 0.766 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.597 1.927 9.973 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.888 0.188 8.228 1.00 0.00 H new ATOM 113 N ASP A 8 -4.727 8.044 6.470 1.00 0.00 N ATOM 114 CA ASP A 8 -5.437 9.278 6.030 1.00 0.00 C ATOM 115 C ASP A 8 -4.555 10.065 5.055 1.00 0.00 C ATOM 116 O ASP A 8 -5.042 10.734 4.164 1.00 0.00 O ATOM 117 CB ASP A 8 -5.750 10.149 7.248 1.00 0.00 C ATOM 118 CG ASP A 8 -7.266 10.254 7.426 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.887 9.231 7.667 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.781 11.355 7.319 1.00 0.00 O ATOM 0 H ASP A 8 -4.411 8.049 7.440 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.365 8.999 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.297 9.719 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.319 11.142 7.119 1.00 0.00 H new ATOM 125 N GLY A 9 -3.262 9.997 5.219 1.00 0.00 N ATOM 126 CA GLY A 9 -2.354 10.747 4.306 1.00 0.00 C ATOM 127 C GLY A 9 -2.423 10.141 2.906 1.00 0.00 C ATOM 128 O GLY A 9 -2.685 10.825 1.934 1.00 0.00 O ATOM 0 H GLY A 9 -2.795 9.454 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.641 11.798 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.331 10.708 4.681 1.00 0.00 H new ATOM 132 N VAL A 10 -2.193 8.863 2.794 1.00 0.00 N ATOM 133 CA VAL A 10 -2.251 8.220 1.452 1.00 0.00 C ATOM 134 C VAL A 10 -3.670 8.341 0.904 1.00 0.00 C ATOM 135 O VAL A 10 -3.873 8.633 -0.257 1.00 0.00 O ATOM 136 CB VAL A 10 -1.865 6.744 1.567 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.919 6.094 0.184 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.446 6.631 2.127 1.00 0.00 C ATOM 0 H VAL A 10 -1.969 8.239 3.569 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.553 8.716 0.777 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.562 6.237 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.644 5.042 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.929 6.175 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.222 6.601 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.170 5.580 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.250 7.138 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.406 7.095 3.113 1.00 0.00 H new ATOM 148 N ALA A 11 -4.657 8.136 1.732 1.00 0.00 N ATOM 149 CA ALA A 11 -6.059 8.262 1.252 1.00 0.00 C ATOM 150 C ALA A 11 -6.255 9.678 0.718 1.00 0.00 C ATOM 151 O ALA A 11 -6.955 9.902 -0.249 1.00 0.00 O ATOM 152 CB ALA A 11 -7.026 8.011 2.412 1.00 0.00 C ATOM 0 H ALA A 11 -4.553 7.888 2.716 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.255 7.532 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.052 8.104 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.868 7.007 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.847 8.743 3.200 1.00 0.00 H new ATOM 158 N ASP A 12 -5.625 10.637 1.341 1.00 0.00 N ATOM 159 CA ASP A 12 -5.753 12.044 0.875 1.00 0.00 C ATOM 160 C ASP A 12 -5.138 12.170 -0.518 1.00 0.00 C ATOM 161 O ASP A 12 -5.784 12.588 -1.458 1.00 0.00 O ATOM 162 CB ASP A 12 -5.010 12.968 1.841 1.00 0.00 C ATOM 163 CG ASP A 12 -6.020 13.713 2.716 1.00 0.00 C ATOM 164 OD1 ASP A 12 -6.426 13.157 3.723 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.369 14.828 2.365 1.00 0.00 O ATOM 0 H ASP A 12 -5.025 10.504 2.155 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.806 12.324 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.331 12.388 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.401 13.680 1.284 1.00 0.00 H new ATOM 170 N TYR A 13 -3.892 11.804 -0.662 1.00 0.00 N ATOM 171 CA TYR A 13 -3.243 11.902 -2.000 1.00 0.00 C ATOM 172 C TYR A 13 -3.998 11.015 -2.991 1.00 0.00 C ATOM 173 O TYR A 13 -3.910 11.190 -4.191 1.00 0.00 O ATOM 174 CB TYR A 13 -1.792 11.432 -1.904 1.00 0.00 C ATOM 175 CG TYR A 13 -1.054 11.839 -3.157 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.129 11.040 -4.304 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.297 13.016 -3.171 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.446 11.419 -5.467 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.386 13.395 -4.333 1.00 0.00 C ATOM 180 CZ TYR A 13 0.312 12.596 -5.481 1.00 0.00 C ATOM 181 OH TYR A 13 0.985 12.969 -6.626 1.00 0.00 O ATOM 0 H TYR A 13 -3.299 11.443 0.085 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.265 12.938 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.313 11.869 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.755 10.350 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.713 10.132 -4.292 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.240 13.632 -2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.504 10.803 -6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.970 14.303 -4.344 1.00 0.00 H new ATOM 0 HH TYR A 13 0.484 13.675 -7.085 1.00 0.00 H new ATOM 191 N LEU A 14 -4.744 10.066 -2.496 1.00 0.00 N ATOM 192 CA LEU A 14 -5.511 9.165 -3.401 1.00 0.00 C ATOM 193 C LEU A 14 -6.699 9.928 -3.985 1.00 0.00 C ATOM 194 O LEU A 14 -6.791 10.127 -5.175 1.00 0.00 O ATOM 195 CB LEU A 14 -6.009 7.954 -2.607 1.00 0.00 C ATOM 196 CG LEU A 14 -5.017 6.796 -2.759 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.028 5.941 -1.490 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.423 5.928 -3.951 1.00 0.00 C ATOM 0 H LEU A 14 -4.856 9.875 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.869 8.823 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.119 8.216 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.993 7.652 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.017 7.199 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.322 5.118 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.741 6.554 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.029 5.541 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.717 5.105 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.424 5.529 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.418 6.531 -4.859 1.00 0.00 H new ATOM 210 N GLN A 15 -7.608 10.365 -3.161 1.00 0.00 N ATOM 211 CA GLN A 15 -8.779 11.124 -3.686 1.00 0.00 C ATOM 212 C GLN A 15 -8.321 12.512 -4.147 1.00 0.00 C ATOM 213 O GLN A 15 -9.070 13.253 -4.753 1.00 0.00 O ATOM 214 CB GLN A 15 -9.827 11.271 -2.581 1.00 0.00 C ATOM 215 CG GLN A 15 -9.335 12.282 -1.545 1.00 0.00 C ATOM 216 CD GLN A 15 -10.392 12.450 -0.452 1.00 0.00 C ATOM 217 OE1 GLN A 15 -11.532 12.765 -0.735 1.00 0.00 O ATOM 218 NE2 GLN A 15 -10.063 12.251 0.795 1.00 0.00 N ATOM 0 H GLN A 15 -7.593 10.231 -2.150 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.214 10.587 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.775 11.601 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.009 10.307 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.396 11.943 -1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.136 13.241 -2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.107 11.987 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.761 12.360 1.530 1.00 0.00 H new ATOM 227 N THR A 16 -7.098 12.873 -3.858 1.00 0.00 N ATOM 228 CA THR A 16 -6.598 14.217 -4.269 1.00 0.00 C ATOM 229 C THR A 16 -5.978 14.144 -5.660 1.00 0.00 C ATOM 230 O THR A 16 -6.471 14.724 -6.608 1.00 0.00 O ATOM 231 CB THR A 16 -5.545 14.697 -3.268 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.142 14.834 -1.985 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.989 16.049 -3.719 1.00 0.00 C ATOM 0 H THR A 16 -6.425 12.295 -3.355 1.00 0.00 H new ATOM 0 HA THR A 16 -7.434 14.916 -4.288 1.00 0.00 H new ATOM 0 HB THR A 16 -4.734 13.971 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.310 13.946 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.239 16.390 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.532 15.945 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.799 16.777 -3.770 1.00 0.00 H new ATOM 241 N TYR A 17 -4.899 13.441 -5.784 1.00 0.00 N ATOM 242 CA TYR A 17 -4.227 13.322 -7.111 1.00 0.00 C ATOM 243 C TYR A 17 -4.810 12.130 -7.871 1.00 0.00 C ATOM 244 O TYR A 17 -4.508 11.906 -9.026 1.00 0.00 O ATOM 245 CB TYR A 17 -2.725 13.111 -6.908 1.00 0.00 C ATOM 246 CG TYR A 17 -2.101 14.390 -6.398 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.086 14.662 -5.024 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.539 15.301 -7.299 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.508 15.847 -4.552 1.00 0.00 C ATOM 250 CE2 TYR A 17 -0.962 16.486 -6.827 1.00 0.00 C ATOM 251 CZ TYR A 17 -0.945 16.758 -5.453 1.00 0.00 C ATOM 252 OH TYR A 17 -0.375 17.926 -4.989 1.00 0.00 O ATOM 0 H TYR A 17 -4.444 12.937 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.390 14.235 -7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.553 12.302 -6.198 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.258 12.815 -7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.520 13.958 -4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.550 15.090 -8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.497 16.058 -3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.530 17.190 -7.522 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.030 18.445 -5.746 1.00 0.00 H new ATOM 262 N HIS A 18 -5.651 11.367 -7.230 1.00 0.00 N ATOM 263 CA HIS A 18 -6.266 10.191 -7.906 1.00 0.00 C ATOM 264 C HIS A 18 -5.169 9.255 -8.415 1.00 0.00 C ATOM 265 O HIS A 18 -5.112 8.919 -9.582 1.00 0.00 O ATOM 266 CB HIS A 18 -7.130 10.674 -9.068 1.00 0.00 C ATOM 267 CG HIS A 18 -8.401 11.258 -8.515 1.00 0.00 C ATOM 268 ND1 HIS A 18 -8.689 11.842 -7.304 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.585 11.273 -9.233 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -10.030 12.211 -7.270 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.523 11.846 -8.456 1.00 0.00 N flip ATOM 0 H HIS A 18 -5.940 11.508 -6.262 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.890 9.645 -7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.594 11.422 -9.652 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.356 9.846 -9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.729 10.894 -10.234 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.559 12.690 -6.459 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.493 11.985 -8.739 1.00 0.00 H new ATOM 279 N LYS A 19 -4.302 8.829 -7.536 1.00 0.00 N ATOM 280 CA LYS A 19 -3.201 7.906 -7.934 1.00 0.00 C ATOM 281 C LYS A 19 -2.105 7.958 -6.869 1.00 0.00 C ATOM 282 O LYS A 19 -1.653 9.018 -6.485 1.00 0.00 O ATOM 283 CB LYS A 19 -2.612 8.334 -9.280 1.00 0.00 C ATOM 284 CG LYS A 19 -2.402 9.849 -9.291 1.00 0.00 C ATOM 285 CD LYS A 19 -1.201 10.189 -10.177 1.00 0.00 C ATOM 286 CE LYS A 19 -1.462 11.509 -10.904 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.244 11.903 -11.669 1.00 0.00 N ATOM 0 H LYS A 19 -4.310 9.084 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.595 6.894 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.664 7.824 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.281 8.044 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.296 10.349 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.234 10.211 -8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.299 10.268 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.031 9.391 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.311 11.403 -11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.721 12.287 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.420 12.801 -12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.555 12.020 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.016 11.163 -12.364 1.00 0.00 H new ATOM 301 N LEU A 20 -1.673 6.825 -6.388 1.00 0.00 N ATOM 302 CA LEU A 20 -0.606 6.823 -5.349 1.00 0.00 C ATOM 303 C LEU A 20 0.488 7.815 -5.755 1.00 0.00 C ATOM 304 O LEU A 20 0.745 7.999 -6.928 1.00 0.00 O ATOM 305 CB LEU A 20 -0.004 5.420 -5.235 1.00 0.00 C ATOM 306 CG LEU A 20 -1.085 4.433 -4.793 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.438 3.093 -4.443 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.807 4.988 -3.562 1.00 0.00 C ATOM 0 H LEU A 20 -2.011 5.904 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.029 7.113 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.413 5.113 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.816 5.422 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.801 4.290 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.208 2.389 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.078 2.699 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.278 3.235 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.578 4.286 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.090 5.129 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.267 5.944 -3.810 1.00 0.00 H new ATOM 320 N PRO A 21 1.101 8.423 -4.773 1.00 0.00 N ATOM 321 CA PRO A 21 2.175 9.402 -5.010 1.00 0.00 C ATOM 322 C PRO A 21 3.269 8.797 -5.885 1.00 0.00 C ATOM 323 O PRO A 21 3.368 7.595 -6.032 1.00 0.00 O ATOM 324 CB PRO A 21 2.722 9.726 -3.616 1.00 0.00 C ATOM 325 CG PRO A 21 1.775 9.067 -2.580 1.00 0.00 C ATOM 326 CD PRO A 21 0.781 8.185 -3.354 1.00 0.00 C ATOM 0 HA PRO A 21 1.815 10.290 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.737 9.345 -3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.767 10.804 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.343 8.469 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.246 9.828 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.897 7.133 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.250 8.458 -3.129 1.00 0.00 H new ATOM 334 N ASP A 22 4.100 9.622 -6.458 1.00 0.00 N ATOM 335 CA ASP A 22 5.196 9.093 -7.312 1.00 0.00 C ATOM 336 C ASP A 22 6.209 8.365 -6.429 1.00 0.00 C ATOM 337 O ASP A 22 7.129 7.736 -6.912 1.00 0.00 O ATOM 338 CB ASP A 22 5.885 10.250 -8.038 1.00 0.00 C ATOM 339 CG ASP A 22 5.638 10.127 -9.542 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.637 10.651 -10.004 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.454 9.511 -10.208 1.00 0.00 O ATOM 0 H ASP A 22 4.067 10.638 -6.371 1.00 0.00 H new ATOM 0 HA ASP A 22 4.787 8.402 -8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.502 11.203 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.955 10.237 -7.832 1.00 0.00 H new ATOM 346 N ASN A 23 6.048 8.445 -5.136 1.00 0.00 N ATOM 347 CA ASN A 23 7.003 7.755 -4.226 1.00 0.00 C ATOM 348 C ASN A 23 6.475 6.358 -3.889 1.00 0.00 C ATOM 349 O ASN A 23 7.032 5.658 -3.068 1.00 0.00 O ATOM 350 CB ASN A 23 7.159 8.568 -2.938 1.00 0.00 C ATOM 351 CG ASN A 23 5.786 8.780 -2.298 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.044 7.839 -2.100 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.415 9.985 -1.963 1.00 0.00 N ATOM 0 H ASN A 23 5.298 8.957 -4.672 1.00 0.00 H new ATOM 0 HA ASN A 23 7.971 7.665 -4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.819 8.047 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.622 9.530 -3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.502 10.137 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.038 10.775 -2.129 1.00 0.00 H new ATOM 360 N TYR A 24 5.405 5.945 -4.515 1.00 0.00 N ATOM 361 CA TYR A 24 4.852 4.592 -4.221 1.00 0.00 C ATOM 362 C TYR A 24 5.276 3.612 -5.314 1.00 0.00 C ATOM 363 O TYR A 24 4.526 3.315 -6.224 1.00 0.00 O ATOM 364 CB TYR A 24 3.325 4.654 -4.160 1.00 0.00 C ATOM 365 CG TYR A 24 2.885 4.639 -2.717 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.771 3.424 -2.030 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.602 5.842 -2.061 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.374 3.414 -0.688 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.202 5.832 -0.720 1.00 0.00 C ATOM 370 CZ TYR A 24 2.089 4.618 -0.033 1.00 0.00 C ATOM 371 OH TYR A 24 1.696 4.608 1.290 1.00 0.00 O ATOM 0 H TYR A 24 4.893 6.483 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 24 5.238 4.254 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.966 5.558 -4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.893 3.807 -4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.989 2.495 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.692 6.779 -2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.287 2.477 -0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.981 6.761 -0.215 1.00 0.00 H new ATOM 0 HH TYR A 24 1.332 3.727 1.516 1.00 0.00 H new ATOM 381 N ILE A 25 6.467 3.092 -5.220 1.00 0.00 N ATOM 382 CA ILE A 25 6.936 2.116 -6.238 1.00 0.00 C ATOM 383 C ILE A 25 6.612 0.706 -5.744 1.00 0.00 C ATOM 384 O ILE A 25 6.954 0.336 -4.638 1.00 0.00 O ATOM 385 CB ILE A 25 8.447 2.258 -6.428 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.142 2.171 -5.066 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.756 3.612 -7.072 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.353 1.243 -5.170 1.00 0.00 C ATOM 0 H ILE A 25 7.137 3.302 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 25 6.440 2.302 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 25 8.809 1.458 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.457 3.163 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.447 1.797 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.833 3.713 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.261 3.675 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.395 4.413 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.848 1.181 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.025 0.249 -5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.051 1.637 -5.909 1.00 0.00 H new ATOM 400 N THR A 26 5.950 -0.081 -6.545 1.00 0.00 N ATOM 401 CA THR A 26 5.605 -1.460 -6.103 1.00 0.00 C ATOM 402 C THR A 26 6.848 -2.130 -5.517 1.00 0.00 C ATOM 403 O THR A 26 7.928 -1.572 -5.528 1.00 0.00 O ATOM 404 CB THR A 26 5.098 -2.274 -7.294 1.00 0.00 C ATOM 405 OG1 THR A 26 6.159 -2.485 -8.218 1.00 0.00 O ATOM 406 CG2 THR A 26 3.957 -1.525 -7.985 1.00 0.00 C ATOM 0 H THR A 26 5.634 0.169 -7.482 1.00 0.00 H new ATOM 0 HA THR A 26 4.824 -1.412 -5.344 1.00 0.00 H new ATOM 0 HB THR A 26 4.732 -3.237 -6.939 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.831 -3.008 -8.979 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.599 -2.109 -8.833 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.141 -1.373 -7.279 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.317 -0.558 -8.337 1.00 0.00 H new ATOM 414 N LYS A 27 6.713 -3.324 -5.010 1.00 0.00 N ATOM 415 CA LYS A 27 7.906 -4.009 -4.429 1.00 0.00 C ATOM 416 C LYS A 27 8.854 -4.412 -5.557 1.00 0.00 C ATOM 417 O LYS A 27 10.044 -4.185 -5.487 1.00 0.00 O ATOM 418 CB LYS A 27 7.515 -5.262 -3.628 1.00 0.00 C ATOM 419 CG LYS A 27 6.003 -5.320 -3.394 1.00 0.00 C ATOM 420 CD LYS A 27 5.329 -6.004 -4.584 1.00 0.00 C ATOM 421 CE LYS A 27 5.653 -7.500 -4.561 1.00 0.00 C ATOM 422 NZ LYS A 27 5.000 -8.168 -5.723 1.00 0.00 N ATOM 0 H LYS A 27 5.841 -3.851 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 27 8.392 -3.312 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.837 -6.155 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.034 -5.261 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.787 -5.867 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.605 -4.313 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.250 -5.854 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.676 -5.560 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.732 -7.650 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.304 -7.944 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.220 -9.184 -5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.970 -8.036 -5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.354 -7.751 -6.607 1.00 0.00 H new ATOM 436 N SER A 28 8.341 -5.003 -6.601 1.00 0.00 N ATOM 437 CA SER A 28 9.225 -5.403 -7.729 1.00 0.00 C ATOM 438 C SER A 28 10.025 -4.181 -8.173 1.00 0.00 C ATOM 439 O SER A 28 11.180 -4.275 -8.546 1.00 0.00 O ATOM 440 CB SER A 28 8.375 -5.911 -8.893 1.00 0.00 C ATOM 441 OG SER A 28 7.712 -7.107 -8.505 1.00 0.00 O ATOM 0 H SER A 28 7.353 -5.225 -6.721 1.00 0.00 H new ATOM 0 HA SER A 28 9.900 -6.198 -7.412 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.645 -5.155 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.004 -6.097 -9.764 1.00 0.00 H new ATOM 0 HG SER A 28 7.165 -7.434 -9.249 1.00 0.00 H new ATOM 447 N GLU A 29 9.416 -3.028 -8.124 1.00 0.00 N ATOM 448 CA GLU A 29 10.134 -1.793 -8.530 1.00 0.00 C ATOM 449 C GLU A 29 11.362 -1.625 -7.644 1.00 0.00 C ATOM 450 O GLU A 29 12.429 -1.278 -8.110 1.00 0.00 O ATOM 451 CB GLU A 29 9.210 -0.583 -8.368 1.00 0.00 C ATOM 452 CG GLU A 29 8.414 -0.371 -9.658 1.00 0.00 C ATOM 453 CD GLU A 29 8.581 1.075 -10.129 1.00 0.00 C ATOM 454 OE1 GLU A 29 9.647 1.396 -10.628 1.00 0.00 O ATOM 455 OE2 GLU A 29 7.640 1.837 -9.983 1.00 0.00 O ATOM 0 H GLU A 29 8.452 -2.891 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 29 10.439 -1.868 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.530 -0.741 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.796 0.307 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.761 -1.058 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.360 -0.590 -9.488 1.00 0.00 H new ATOM 462 N ALA A 30 11.231 -1.886 -6.372 1.00 0.00 N ATOM 463 CA ALA A 30 12.409 -1.755 -5.475 1.00 0.00 C ATOM 464 C ALA A 30 13.409 -2.848 -5.837 1.00 0.00 C ATOM 465 O ALA A 30 14.607 -2.647 -5.807 1.00 0.00 O ATOM 466 CB ALA A 30 11.969 -1.915 -4.019 1.00 0.00 C ATOM 0 H ALA A 30 10.366 -2.182 -5.920 1.00 0.00 H new ATOM 0 HA ALA A 30 12.867 -0.773 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.835 -1.818 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.240 -1.143 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.518 -2.898 -3.881 1.00 0.00 H new ATOM 472 N GLN A 31 12.922 -4.005 -6.194 1.00 0.00 N ATOM 473 CA GLN A 31 13.839 -5.109 -6.576 1.00 0.00 C ATOM 474 C GLN A 31 14.650 -4.664 -7.790 1.00 0.00 C ATOM 475 O GLN A 31 15.794 -5.040 -7.958 1.00 0.00 O ATOM 476 CB GLN A 31 13.023 -6.354 -6.930 1.00 0.00 C ATOM 477 CG GLN A 31 12.377 -6.919 -5.662 1.00 0.00 C ATOM 478 CD GLN A 31 12.389 -8.448 -5.720 1.00 0.00 C ATOM 479 OE1 GLN A 31 12.968 -9.095 -4.869 1.00 0.00 O ATOM 480 NE2 GLN A 31 11.772 -9.057 -6.694 1.00 0.00 N ATOM 0 H GLN A 31 11.928 -4.231 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 31 14.506 -5.347 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.255 -6.102 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.666 -7.105 -7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.918 -6.574 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.353 -6.556 -5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.286 -8.515 -7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.775 -10.076 -6.742 1.00 0.00 H new ATOM 489 N ALA A 32 14.066 -3.862 -8.641 1.00 0.00 N ATOM 490 CA ALA A 32 14.803 -3.391 -9.838 1.00 0.00 C ATOM 491 C ALA A 32 16.053 -2.631 -9.403 1.00 0.00 C ATOM 492 O ALA A 32 17.080 -2.666 -10.050 1.00 0.00 O ATOM 493 CB ALA A 32 13.906 -2.470 -10.666 1.00 0.00 C ATOM 0 H ALA A 32 13.110 -3.516 -8.554 1.00 0.00 H new ATOM 0 HA ALA A 32 15.094 -4.250 -10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.451 -2.126 -11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.016 -3.015 -10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.610 -1.611 -10.063 1.00 0.00 H new ATOM 499 N LEU A 33 15.959 -1.942 -8.310 1.00 0.00 N ATOM 500 CA LEU A 33 17.124 -1.162 -7.804 1.00 0.00 C ATOM 501 C LEU A 33 18.082 -2.082 -7.048 1.00 0.00 C ATOM 502 O LEU A 33 19.221 -1.743 -6.799 1.00 0.00 O ATOM 503 CB LEU A 33 16.617 -0.067 -6.874 1.00 0.00 C ATOM 504 CG LEU A 33 15.607 0.787 -7.633 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.193 0.448 -7.161 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.904 2.262 -7.376 1.00 0.00 C ATOM 0 H LEU A 33 15.119 -1.881 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 33 17.658 -0.716 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.153 -0.506 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.447 0.548 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 33 15.682 0.585 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.472 1.059 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.990 -0.606 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.108 0.649 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.185 2.877 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.828 2.468 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.912 2.495 -7.720 1.00 0.00 H new ATOM 518 N GLY A 34 17.623 -3.240 -6.681 1.00 0.00 N ATOM 519 CA GLY A 34 18.497 -4.191 -5.936 1.00 0.00 C ATOM 520 C GLY A 34 17.932 -4.405 -4.531 1.00 0.00 C ATOM 521 O GLY A 34 18.660 -4.470 -3.561 1.00 0.00 O ATOM 0 H GLY A 34 16.677 -3.574 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.554 -5.142 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.512 -3.799 -5.876 1.00 0.00 H new ATOM 525 N TRP A 35 16.637 -4.511 -4.414 1.00 0.00 N ATOM 526 CA TRP A 35 16.020 -4.718 -3.074 1.00 0.00 C ATOM 527 C TRP A 35 15.567 -6.176 -2.944 1.00 0.00 C ATOM 528 O TRP A 35 14.704 -6.634 -3.667 1.00 0.00 O ATOM 529 CB TRP A 35 14.816 -3.773 -2.922 1.00 0.00 C ATOM 530 CG TRP A 35 13.851 -4.306 -1.905 1.00 0.00 C ATOM 531 CD1 TRP A 35 14.046 -4.301 -0.566 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.548 -4.921 -2.124 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.946 -4.871 0.049 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.995 -5.269 -0.870 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.800 -5.208 -3.280 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.743 -5.878 -0.767 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.541 -5.820 -3.179 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.014 -6.155 -1.925 1.00 0.00 C ATOM 0 H TRP A 35 15.978 -4.463 -5.191 1.00 0.00 H new ATOM 0 HA TRP A 35 16.747 -4.501 -2.291 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.160 -2.783 -2.621 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.314 -3.658 -3.882 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.918 -3.915 -0.060 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.849 -4.984 1.058 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.197 -4.956 -4.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.341 -6.133 0.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.975 -6.034 -4.074 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.045 -6.627 -1.854 1.00 0.00 H new ATOM 549 N VAL A 36 16.131 -6.900 -2.020 1.00 0.00 N ATOM 550 CA VAL A 36 15.721 -8.319 -1.837 1.00 0.00 C ATOM 551 C VAL A 36 14.570 -8.371 -0.833 1.00 0.00 C ATOM 552 O VAL A 36 14.745 -8.105 0.338 1.00 0.00 O ATOM 553 CB VAL A 36 16.903 -9.131 -1.305 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.506 -10.605 -1.215 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.092 -8.982 -2.256 1.00 0.00 C ATOM 0 H VAL A 36 16.857 -6.571 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 36 15.402 -8.739 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 36 17.180 -8.766 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.347 -11.186 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.657 -10.713 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.231 -10.969 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.935 -9.560 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.815 -9.348 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.374 -7.931 -2.324 1.00 0.00 H new ATOM 565 N ALA A 37 13.392 -8.699 -1.283 1.00 0.00 N ATOM 566 CA ALA A 37 12.229 -8.753 -0.354 1.00 0.00 C ATOM 567 C ALA A 37 12.599 -9.561 0.894 1.00 0.00 C ATOM 568 O ALA A 37 12.393 -9.126 2.010 1.00 0.00 O ATOM 569 CB ALA A 37 11.045 -9.418 -1.058 1.00 0.00 C ATOM 0 H ALA A 37 13.184 -8.932 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 37 11.957 -7.739 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.193 -9.458 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.777 -8.841 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.320 -10.430 -1.355 1.00 0.00 H new ATOM 575 N SER A 38 13.137 -10.735 0.715 1.00 0.00 N ATOM 576 CA SER A 38 13.513 -11.571 1.891 1.00 0.00 C ATOM 577 C SER A 38 14.441 -10.782 2.816 1.00 0.00 C ATOM 578 O SER A 38 14.125 -10.535 3.964 1.00 0.00 O ATOM 579 CB SER A 38 14.228 -12.834 1.410 1.00 0.00 C ATOM 580 OG SER A 38 13.791 -13.944 2.183 1.00 0.00 O ATOM 0 H SER A 38 13.333 -11.153 -0.195 1.00 0.00 H new ATOM 0 HA SER A 38 12.611 -11.846 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.017 -13.006 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 38 15.307 -12.713 1.504 1.00 0.00 H new ATOM 0 HG SER A 38 14.246 -14.756 1.876 1.00 0.00 H new ATOM 586 N LYS A 39 15.587 -10.387 2.329 1.00 0.00 N ATOM 587 CA LYS A 39 16.538 -9.618 3.182 1.00 0.00 C ATOM 588 C LYS A 39 15.774 -8.566 3.992 1.00 0.00 C ATOM 589 O LYS A 39 16.011 -8.383 5.169 1.00 0.00 O ATOM 590 CB LYS A 39 17.575 -8.927 2.294 1.00 0.00 C ATOM 591 CG LYS A 39 18.462 -9.981 1.627 1.00 0.00 C ATOM 592 CD LYS A 39 19.933 -9.627 1.849 1.00 0.00 C ATOM 593 CE LYS A 39 20.379 -10.131 3.222 1.00 0.00 C ATOM 594 NZ LYS A 39 20.118 -11.595 3.322 1.00 0.00 N ATOM 0 H LYS A 39 15.906 -10.564 1.376 1.00 0.00 H new ATOM 0 HA LYS A 39 17.041 -10.301 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.076 -8.324 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.185 -8.248 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.248 -10.966 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.246 -10.030 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.547 -10.075 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.072 -8.548 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.440 -9.929 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.842 -9.600 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.809 -12.027 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.157 -11.752 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.206 -12.028 2.381 1.00 0.00 H new ATOM 608 N GLY A 40 14.857 -7.877 3.371 1.00 0.00 N ATOM 609 CA GLY A 40 14.078 -6.839 4.105 1.00 0.00 C ATOM 610 C GLY A 40 14.904 -5.555 4.218 1.00 0.00 C ATOM 611 O GLY A 40 14.875 -4.875 5.225 1.00 0.00 O ATOM 0 H GLY A 40 14.613 -7.987 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.143 -6.636 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.816 -7.203 5.099 1.00 0.00 H new ATOM 615 N ASN A 41 15.635 -5.216 3.192 1.00 0.00 N ATOM 616 CA ASN A 41 16.458 -3.974 3.243 1.00 0.00 C ATOM 617 C ASN A 41 15.906 -2.959 2.239 1.00 0.00 C ATOM 618 O ASN A 41 16.644 -2.327 1.510 1.00 0.00 O ATOM 619 CB ASN A 41 17.909 -4.306 2.889 1.00 0.00 C ATOM 620 CG ASN A 41 17.940 -5.261 1.695 1.00 0.00 C ATOM 621 OD1 ASN A 41 18.158 -6.446 1.855 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.732 -4.794 0.494 1.00 0.00 N ATOM 0 H ASN A 41 15.698 -5.744 2.322 1.00 0.00 H new ATOM 0 HA ASN A 41 16.419 -3.552 4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.454 -3.393 2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.408 -4.761 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.753 -5.423 -0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.549 -3.800 0.358 1.00 0.00 H new ATOM 629 N LEU A 42 14.612 -2.800 2.197 1.00 0.00 N ATOM 630 CA LEU A 42 14.007 -1.828 1.242 1.00 0.00 C ATOM 631 C LEU A 42 14.555 -0.433 1.515 1.00 0.00 C ATOM 632 O LEU A 42 15.209 0.164 0.689 1.00 0.00 O ATOM 633 CB LEU A 42 12.492 -1.803 1.433 1.00 0.00 C ATOM 634 CG LEU A 42 11.836 -1.026 0.288 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.428 -1.469 -1.051 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.332 -1.296 0.286 1.00 0.00 C ATOM 0 H LEU A 42 13.946 -3.302 2.784 1.00 0.00 H new ATOM 0 HA LEU A 42 14.251 -2.130 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.103 -2.821 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.245 -1.339 2.388 1.00 0.00 H new ATOM 0 HG LEU A 42 12.021 0.039 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.956 -0.911 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.501 -1.277 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.250 -2.535 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.864 -0.743 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.154 -2.363 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.903 -0.975 1.235 1.00 0.00 H new ATOM 648 N ALA A 43 14.276 0.088 2.672 1.00 0.00 N ATOM 649 CA ALA A 43 14.760 1.456 3.023 1.00 0.00 C ATOM 650 C ALA A 43 16.279 1.557 2.828 1.00 0.00 C ATOM 651 O ALA A 43 16.835 2.638 2.813 1.00 0.00 O ATOM 652 CB ALA A 43 14.418 1.754 4.484 1.00 0.00 C ATOM 0 H ALA A 43 13.730 -0.375 3.398 1.00 0.00 H new ATOM 0 HA ALA A 43 14.273 2.179 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.770 2.752 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.338 1.703 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.902 1.020 5.128 1.00 0.00 H new ATOM 658 N ASP A 44 16.960 0.452 2.688 1.00 0.00 N ATOM 659 CA ASP A 44 18.439 0.509 2.507 1.00 0.00 C ATOM 660 C ASP A 44 18.779 0.871 1.057 1.00 0.00 C ATOM 661 O ASP A 44 19.737 1.573 0.794 1.00 0.00 O ATOM 662 CB ASP A 44 19.041 -0.857 2.843 1.00 0.00 C ATOM 663 CG ASP A 44 20.555 -0.721 3.011 1.00 0.00 C ATOM 664 OD1 ASP A 44 20.974 -0.206 4.034 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.271 -1.137 2.115 1.00 0.00 O ATOM 0 H ASP A 44 16.558 -0.485 2.691 1.00 0.00 H new ATOM 0 HA ASP A 44 18.851 1.270 3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.597 -1.247 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.815 -1.570 2.051 1.00 0.00 H new ATOM 670 N VAL A 45 18.014 0.398 0.111 1.00 0.00 N ATOM 671 CA VAL A 45 18.311 0.718 -1.316 1.00 0.00 C ATOM 672 C VAL A 45 17.238 1.655 -1.877 1.00 0.00 C ATOM 673 O VAL A 45 17.286 2.048 -3.026 1.00 0.00 O ATOM 674 CB VAL A 45 18.329 -0.576 -2.133 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.525 -1.432 -1.708 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.034 -1.354 -1.885 1.00 0.00 C ATOM 0 H VAL A 45 17.198 -0.195 0.263 1.00 0.00 H new ATOM 0 HA VAL A 45 19.283 1.208 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 45 18.412 -0.335 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.538 -2.354 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.448 -0.880 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.442 -1.673 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.046 -2.276 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.951 -1.595 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.181 -0.746 -2.186 1.00 0.00 H new ATOM 686 N ALA A 46 16.271 2.014 -1.080 1.00 0.00 N ATOM 687 CA ALA A 46 15.198 2.923 -1.575 1.00 0.00 C ATOM 688 C ALA A 46 14.648 3.747 -0.406 1.00 0.00 C ATOM 689 O ALA A 46 13.480 3.659 -0.086 1.00 0.00 O ATOM 690 CB ALA A 46 14.070 2.092 -2.189 1.00 0.00 C ATOM 0 H ALA A 46 16.176 1.718 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 46 15.608 3.593 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.285 2.756 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.461 1.505 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.659 1.422 -1.434 1.00 0.00 H new ATOM 696 N PRO A 47 15.510 4.524 0.199 1.00 0.00 N ATOM 697 CA PRO A 47 15.130 5.374 1.340 1.00 0.00 C ATOM 698 C PRO A 47 14.029 6.354 0.926 1.00 0.00 C ATOM 699 O PRO A 47 13.919 6.729 -0.224 1.00 0.00 O ATOM 700 CB PRO A 47 16.413 6.126 1.716 1.00 0.00 C ATOM 701 CG PRO A 47 17.538 5.641 0.765 1.00 0.00 C ATOM 702 CD PRO A 47 16.925 4.618 -0.204 1.00 0.00 C ATOM 0 HA PRO A 47 14.738 4.796 2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.268 7.202 1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.680 5.932 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.962 6.481 0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.351 5.189 1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.021 4.946 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.424 3.652 -0.128 1.00 0.00 H new ATOM 710 N GLY A 48 13.212 6.768 1.855 1.00 0.00 N ATOM 711 CA GLY A 48 12.118 7.720 1.515 1.00 0.00 C ATOM 712 C GLY A 48 11.314 7.172 0.335 1.00 0.00 C ATOM 713 O GLY A 48 11.157 7.826 -0.678 1.00 0.00 O ATOM 0 H GLY A 48 13.255 6.488 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.467 7.865 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.535 8.695 1.263 1.00 0.00 H new ATOM 717 N LYS A 49 10.805 5.976 0.453 1.00 0.00 N ATOM 718 CA LYS A 49 10.013 5.390 -0.666 1.00 0.00 C ATOM 719 C LYS A 49 8.749 4.729 -0.113 1.00 0.00 C ATOM 720 O LYS A 49 8.537 4.670 1.082 1.00 0.00 O ATOM 721 CB LYS A 49 10.857 4.340 -1.391 1.00 0.00 C ATOM 722 CG LYS A 49 11.856 5.037 -2.314 1.00 0.00 C ATOM 723 CD LYS A 49 11.834 4.364 -3.688 1.00 0.00 C ATOM 724 CE LYS A 49 12.954 4.940 -4.556 1.00 0.00 C ATOM 725 NZ LYS A 49 12.777 6.414 -4.681 1.00 0.00 N ATOM 0 H LYS A 49 10.903 5.380 1.275 1.00 0.00 H new ATOM 0 HA LYS A 49 9.733 6.181 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.386 3.720 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.214 3.677 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.604 6.093 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.858 4.986 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.961 3.287 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.869 4.524 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.924 4.716 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.939 4.476 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.329 6.762 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.771 6.632 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.108 6.878 -3.811 1.00 0.00 H new ATOM 739 N SER A 50 7.908 4.230 -0.977 1.00 0.00 N ATOM 740 CA SER A 50 6.656 3.571 -0.510 1.00 0.00 C ATOM 741 C SER A 50 6.308 2.418 -1.454 1.00 0.00 C ATOM 742 O SER A 50 6.389 2.545 -2.657 1.00 0.00 O ATOM 743 CB SER A 50 5.516 4.591 -0.509 1.00 0.00 C ATOM 744 OG SER A 50 5.774 5.580 0.479 1.00 0.00 O ATOM 0 H SER A 50 8.035 4.251 -1.989 1.00 0.00 H new ATOM 0 HA SER A 50 6.800 3.185 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.427 5.056 -1.491 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.568 4.094 -0.304 1.00 0.00 H new ATOM 0 HG SER A 50 5.047 6.237 0.482 1.00 0.00 H new ATOM 750 N ILE A 51 5.921 1.293 -0.917 1.00 0.00 N ATOM 751 CA ILE A 51 5.565 0.133 -1.785 1.00 0.00 C ATOM 752 C ILE A 51 4.043 0.063 -1.925 1.00 0.00 C ATOM 753 O ILE A 51 3.346 -0.305 -1.000 1.00 0.00 O ATOM 754 CB ILE A 51 6.075 -1.158 -1.143 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.583 -1.046 -0.891 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.792 -2.340 -2.073 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.346 -1.236 -2.205 1.00 0.00 C ATOM 0 H ILE A 51 5.836 1.126 0.086 1.00 0.00 H new ATOM 0 HA ILE A 51 6.021 0.254 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 51 5.563 -1.317 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.818 -0.072 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.896 -1.798 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.156 -3.259 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.718 -2.420 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.300 -2.184 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.417 -1.155 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.122 -2.220 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.042 -0.468 -2.916 1.00 0.00 H new ATOM 769 N GLY A 52 3.515 0.413 -3.067 1.00 0.00 N ATOM 770 CA GLY A 52 2.035 0.365 -3.241 1.00 0.00 C ATOM 771 C GLY A 52 1.687 0.318 -4.728 1.00 0.00 C ATOM 772 O GLY A 52 2.524 0.537 -5.580 1.00 0.00 O ATOM 0 H GLY A 52 4.041 0.728 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.629 -0.511 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.577 1.240 -2.779 1.00 0.00 H new ATOM 776 N GLY A 53 0.453 0.036 -5.044 1.00 0.00 N ATOM 777 CA GLY A 53 0.044 -0.022 -6.477 1.00 0.00 C ATOM 778 C GLY A 53 -0.087 -1.480 -6.919 1.00 0.00 C ATOM 779 O GLY A 53 -0.539 -1.770 -8.008 1.00 0.00 O ATOM 0 H GLY A 53 -0.290 -0.157 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.905 0.496 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.780 0.491 -7.096 1.00 0.00 H new ATOM 783 N ASP A 54 0.305 -2.403 -6.084 1.00 0.00 N ATOM 784 CA ASP A 54 0.202 -3.841 -6.463 1.00 0.00 C ATOM 785 C ASP A 54 -1.239 -4.314 -6.271 1.00 0.00 C ATOM 786 O ASP A 54 -2.012 -3.707 -5.560 1.00 0.00 O ATOM 787 CB ASP A 54 1.133 -4.669 -5.576 1.00 0.00 C ATOM 788 CG ASP A 54 2.044 -5.529 -6.453 1.00 0.00 C ATOM 789 OD1 ASP A 54 1.532 -6.423 -7.106 1.00 0.00 O ATOM 790 OD2 ASP A 54 3.238 -5.278 -6.458 1.00 0.00 O ATOM 0 H ASP A 54 0.692 -2.224 -5.157 1.00 0.00 H new ATOM 0 HA ASP A 54 0.490 -3.965 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.732 -4.011 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.548 -5.303 -4.909 1.00 0.00 H new ATOM 795 N ILE A 55 -1.606 -5.396 -6.900 1.00 0.00 N ATOM 796 CA ILE A 55 -2.998 -5.906 -6.752 1.00 0.00 C ATOM 797 C ILE A 55 -3.190 -6.455 -5.337 1.00 0.00 C ATOM 798 O ILE A 55 -2.289 -7.022 -4.753 1.00 0.00 O ATOM 799 CB ILE A 55 -3.247 -7.022 -7.769 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.338 -6.421 -9.174 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.557 -7.734 -7.433 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.330 -5.255 -9.170 1.00 0.00 C ATOM 0 H ILE A 55 -1.003 -5.949 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.702 -5.093 -6.928 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.425 -7.737 -7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.356 -6.075 -9.497 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.658 -7.182 -9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.735 -8.529 -8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.492 -8.162 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.379 -7.019 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.394 -4.828 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.313 -5.615 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.991 -4.491 -8.471 1.00 0.00 H new ATOM 814 N PHE A 56 -4.359 -6.293 -4.781 1.00 0.00 N ATOM 815 CA PHE A 56 -4.606 -6.808 -3.404 1.00 0.00 C ATOM 816 C PHE A 56 -5.108 -8.252 -3.483 1.00 0.00 C ATOM 817 O PHE A 56 -5.841 -8.619 -4.379 1.00 0.00 O ATOM 818 CB PHE A 56 -5.656 -5.930 -2.712 1.00 0.00 C ATOM 819 CG PHE A 56 -6.198 -6.645 -1.495 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.324 -7.071 -0.487 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.572 -6.883 -1.378 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.827 -7.734 0.639 1.00 0.00 C ATOM 823 CE2 PHE A 56 -8.075 -7.546 -0.252 1.00 0.00 C ATOM 824 CZ PHE A 56 -7.201 -7.972 0.757 1.00 0.00 C ATOM 0 H PHE A 56 -5.153 -5.827 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.679 -6.780 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.212 -4.979 -2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.467 -5.703 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.263 -6.888 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.245 -6.555 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.154 -8.062 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.136 -7.729 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.588 -8.484 1.626 1.00 0.00 H new ATOM 834 N SER A 57 -4.720 -9.073 -2.545 1.00 0.00 N ATOM 835 CA SER A 57 -5.175 -10.491 -2.559 1.00 0.00 C ATOM 836 C SER A 57 -6.663 -10.548 -2.891 1.00 0.00 C ATOM 837 O SER A 57 -7.054 -10.638 -4.038 1.00 0.00 O ATOM 838 CB SER A 57 -4.932 -11.117 -1.184 1.00 0.00 C ATOM 839 OG SER A 57 -5.588 -12.377 -1.120 1.00 0.00 O ATOM 0 H SER A 57 -4.107 -8.822 -1.769 1.00 0.00 H new ATOM 0 HA SER A 57 -4.616 -11.044 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.863 -11.241 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.307 -10.459 -0.400 1.00 0.00 H new ATOM 0 HG SER A 57 -5.433 -12.782 -0.241 1.00 0.00 H new ATOM 845 N ASN A 58 -7.491 -10.498 -1.891 1.00 0.00 N ATOM 846 CA ASN A 58 -8.963 -10.549 -2.124 1.00 0.00 C ATOM 847 C ASN A 58 -9.387 -11.995 -2.386 1.00 0.00 C ATOM 848 O ASN A 58 -10.464 -12.256 -2.883 1.00 0.00 O ATOM 849 CB ASN A 58 -9.324 -9.684 -3.334 1.00 0.00 C ATOM 850 CG ASN A 58 -10.762 -9.182 -3.191 1.00 0.00 C ATOM 851 OD1 ASN A 58 -11.659 -9.679 -3.843 1.00 0.00 O ATOM 852 ND2 ASN A 58 -11.021 -8.210 -2.360 1.00 0.00 N ATOM 0 H ASN A 58 -7.212 -10.423 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.481 -10.171 -1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.638 -8.840 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.219 -10.262 -4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.976 -7.867 -2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.268 -7.793 -1.813 1.00 0.00 H new ATOM 859 N ARG A 59 -8.548 -12.938 -2.053 1.00 0.00 N ATOM 860 CA ARG A 59 -8.906 -14.367 -2.281 1.00 0.00 C ATOM 861 C ARG A 59 -10.225 -14.679 -1.570 1.00 0.00 C ATOM 862 O ARG A 59 -11.104 -15.311 -2.121 1.00 0.00 O ATOM 863 CB ARG A 59 -7.800 -15.264 -1.724 1.00 0.00 C ATOM 864 CG ARG A 59 -7.840 -16.623 -2.427 1.00 0.00 C ATOM 865 CD ARG A 59 -6.745 -16.679 -3.493 1.00 0.00 C ATOM 866 NE ARG A 59 -5.804 -17.792 -3.181 1.00 0.00 N ATOM 867 CZ ARG A 59 -4.976 -18.222 -4.094 1.00 0.00 C ATOM 868 NH1 ARG A 59 -4.142 -17.394 -4.661 1.00 0.00 N ATOM 869 NH2 ARG A 59 -4.983 -19.481 -4.440 1.00 0.00 N ATOM 0 H ARG A 59 -7.632 -12.781 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.017 -14.550 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.828 -14.795 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.930 -15.395 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.697 -17.424 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.817 -16.779 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.188 -16.829 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.207 -15.732 -3.527 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.807 -18.218 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.137 -16.410 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.495 -17.730 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.635 -20.128 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.336 -19.817 -5.153 1.00 0.00 H new ATOM 883 N GLU A 60 -10.368 -14.241 -0.350 1.00 0.00 N ATOM 884 CA GLU A 60 -11.629 -14.512 0.397 1.00 0.00 C ATOM 885 C GLU A 60 -12.695 -13.495 -0.018 1.00 0.00 C ATOM 886 O GLU A 60 -13.678 -13.834 -0.647 1.00 0.00 O ATOM 887 CB GLU A 60 -11.368 -14.392 1.900 1.00 0.00 C ATOM 888 CG GLU A 60 -10.560 -15.601 2.378 1.00 0.00 C ATOM 889 CD GLU A 60 -11.419 -16.863 2.278 1.00 0.00 C ATOM 890 OE1 GLU A 60 -12.381 -16.962 3.023 1.00 0.00 O ATOM 891 OE2 GLU A 60 -11.102 -17.709 1.459 1.00 0.00 O ATOM 0 H GLU A 60 -9.666 -13.707 0.163 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.978 -15.519 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.825 -13.471 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.313 -14.337 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.660 -15.712 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.235 -15.450 3.408 1.00 0.00 H new ATOM 898 N GLY A 61 -12.508 -12.252 0.331 1.00 0.00 N ATOM 899 CA GLY A 61 -13.511 -11.214 -0.042 1.00 0.00 C ATOM 900 C GLY A 61 -13.820 -10.339 1.173 1.00 0.00 C ATOM 901 O GLY A 61 -14.961 -10.178 1.559 1.00 0.00 O ATOM 0 H GLY A 61 -11.705 -11.910 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.128 -10.600 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.424 -11.689 -0.402 1.00 0.00 H new ATOM 905 N LYS A 62 -12.812 -9.770 1.779 1.00 0.00 N ATOM 906 CA LYS A 62 -13.052 -8.904 2.968 1.00 0.00 C ATOM 907 C LYS A 62 -13.257 -7.458 2.513 1.00 0.00 C ATOM 908 O LYS A 62 -13.663 -6.606 3.278 1.00 0.00 O ATOM 909 CB LYS A 62 -11.848 -8.981 3.908 1.00 0.00 C ATOM 910 CG LYS A 62 -12.168 -9.920 5.073 1.00 0.00 C ATOM 911 CD LYS A 62 -12.591 -11.286 4.530 1.00 0.00 C ATOM 912 CE LYS A 62 -12.380 -12.352 5.608 1.00 0.00 C ATOM 913 NZ LYS A 62 -13.222 -12.030 6.795 1.00 0.00 N ATOM 0 H LYS A 62 -11.835 -9.868 1.502 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.943 -9.247 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.973 -9.341 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.603 -7.988 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.295 -10.028 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.965 -9.498 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.638 -11.261 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.009 -11.532 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.642 -13.336 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.329 -12.392 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.253 -12.852 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.815 -11.217 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.186 -11.796 6.483 1.00 0.00 H new ATOM 927 N LEU A 63 -12.984 -7.180 1.270 1.00 0.00 N ATOM 928 CA LEU A 63 -13.169 -5.795 0.754 1.00 0.00 C ATOM 929 C LEU A 63 -14.488 -5.726 -0.023 1.00 0.00 C ATOM 930 O LEU A 63 -14.912 -6.707 -0.601 1.00 0.00 O ATOM 931 CB LEU A 63 -12.007 -5.436 -0.177 1.00 0.00 C ATOM 932 CG LEU A 63 -10.749 -5.156 0.647 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.535 -5.101 -0.280 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.892 -3.812 1.367 1.00 0.00 C ATOM 0 H LEU A 63 -12.640 -7.854 0.586 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.193 -5.091 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.822 -6.253 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.264 -4.561 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.617 -5.951 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.638 -4.901 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.427 -6.056 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.673 -4.307 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.994 -3.616 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.026 -3.018 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.757 -3.844 2.029 1.00 0.00 H new ATOM 946 N PRO A 64 -15.097 -4.568 -0.014 1.00 0.00 N ATOM 947 CA PRO A 64 -16.374 -4.351 -0.715 1.00 0.00 C ATOM 948 C PRO A 64 -16.218 -4.645 -2.209 1.00 0.00 C ATOM 949 O PRO A 64 -15.970 -3.761 -3.004 1.00 0.00 O ATOM 950 CB PRO A 64 -16.702 -2.868 -0.485 1.00 0.00 C ATOM 951 CG PRO A 64 -15.581 -2.272 0.404 1.00 0.00 C ATOM 952 CD PRO A 64 -14.563 -3.388 0.689 1.00 0.00 C ATOM 0 HA PRO A 64 -17.164 -5.006 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.760 -2.337 -1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.672 -2.761 -0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.098 -1.435 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.996 -1.887 1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.571 -3.123 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.468 -3.574 1.759 1.00 0.00 H new ATOM 960 N GLY A 65 -16.360 -5.884 -2.597 1.00 0.00 N ATOM 961 CA GLY A 65 -16.220 -6.236 -4.038 1.00 0.00 C ATOM 962 C GLY A 65 -16.834 -7.614 -4.293 1.00 0.00 C ATOM 963 O GLY A 65 -16.727 -8.512 -3.481 1.00 0.00 O ATOM 0 H GLY A 65 -16.567 -6.667 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.715 -5.486 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.168 -6.238 -4.321 1.00 0.00 H new ATOM 967 N LYS A 66 -17.477 -7.789 -5.416 1.00 0.00 N ATOM 968 CA LYS A 66 -18.096 -9.108 -5.723 1.00 0.00 C ATOM 969 C LYS A 66 -17.085 -9.987 -6.462 1.00 0.00 C ATOM 970 O LYS A 66 -15.925 -9.645 -6.585 1.00 0.00 O ATOM 971 CB LYS A 66 -19.330 -8.900 -6.604 1.00 0.00 C ATOM 972 CG LYS A 66 -20.580 -8.825 -5.726 1.00 0.00 C ATOM 973 CD LYS A 66 -21.018 -7.366 -5.582 1.00 0.00 C ATOM 974 CE LYS A 66 -21.843 -6.957 -6.803 1.00 0.00 C ATOM 975 NZ LYS A 66 -23.073 -7.795 -6.874 1.00 0.00 N ATOM 0 H LYS A 66 -17.600 -7.075 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 66 -18.391 -9.596 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -19.225 -7.983 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -19.423 -9.719 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -21.383 -9.415 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -20.374 -9.252 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.607 -7.240 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.145 -6.721 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -22.112 -5.903 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.253 -7.080 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.838 -7.252 -7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.879 -8.649 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.361 -8.070 -5.913 1.00 0.00 H new ATOM 989 N SER A 67 -17.514 -11.116 -6.956 1.00 0.00 N ATOM 990 CA SER A 67 -16.575 -12.013 -7.687 1.00 0.00 C ATOM 991 C SER A 67 -16.183 -11.366 -9.018 1.00 0.00 C ATOM 992 O SER A 67 -16.988 -10.736 -9.674 1.00 0.00 O ATOM 993 CB SER A 67 -17.256 -13.355 -7.955 1.00 0.00 C ATOM 994 OG SER A 67 -16.432 -14.137 -8.810 1.00 0.00 O ATOM 0 H SER A 67 -18.473 -11.456 -6.885 1.00 0.00 H new ATOM 0 HA SER A 67 -15.682 -12.173 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.430 -13.882 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.231 -13.196 -8.416 1.00 0.00 H new ATOM 0 HG SER A 67 -16.865 -14.999 -8.983 1.00 0.00 H new ATOM 1000 N GLY A 68 -14.950 -11.517 -9.421 1.00 0.00 N ATOM 1001 CA GLY A 68 -14.507 -10.911 -10.708 1.00 0.00 C ATOM 1002 C GLY A 68 -13.967 -9.503 -10.451 1.00 0.00 C ATOM 1003 O GLY A 68 -13.304 -8.920 -11.285 1.00 0.00 O ATOM 0 H GLY A 68 -14.231 -12.034 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.736 -11.530 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.341 -10.870 -11.409 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.247 -8.952 -9.302 1.00 0.00 N ATOM 1008 CA ARG A 69 -13.752 -7.583 -8.989 1.00 0.00 C ATOM 1009 C ARG A 69 -12.328 -7.666 -8.435 1.00 0.00 C ATOM 1010 O ARG A 69 -11.915 -8.681 -7.909 1.00 0.00 O ATOM 1011 CB ARG A 69 -14.668 -6.936 -7.947 1.00 0.00 C ATOM 1012 CG ARG A 69 -14.618 -5.415 -8.096 1.00 0.00 C ATOM 1013 CD ARG A 69 -14.856 -4.762 -6.734 1.00 0.00 C ATOM 1014 NE ARG A 69 -15.112 -3.305 -6.920 1.00 0.00 N ATOM 1015 CZ ARG A 69 -15.625 -2.603 -5.947 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -16.773 -2.944 -5.430 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -14.988 -1.559 -5.491 1.00 0.00 N ATOM 0 H ARG A 69 -14.798 -9.392 -8.565 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.752 -6.981 -9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.690 -7.291 -8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.355 -7.224 -6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.650 -5.109 -8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.374 -5.083 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.705 -5.231 -6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.989 -4.911 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.886 -2.857 -7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.271 -3.760 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.173 -2.395 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.090 -1.293 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.388 -1.009 -4.730 1.00 0.00 H new ATOM 1031 N THR A 70 -11.573 -6.607 -8.546 1.00 0.00 N ATOM 1032 CA THR A 70 -10.177 -6.630 -8.024 1.00 0.00 C ATOM 1033 C THR A 70 -9.974 -5.460 -7.058 1.00 0.00 C ATOM 1034 O THR A 70 -10.868 -4.670 -6.827 1.00 0.00 O ATOM 1035 CB THR A 70 -9.195 -6.504 -9.191 1.00 0.00 C ATOM 1036 OG1 THR A 70 -9.918 -6.462 -10.413 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.251 -7.708 -9.196 1.00 0.00 C ATOM 0 H THR A 70 -11.862 -5.728 -8.975 1.00 0.00 H new ATOM 0 HA THR A 70 -10.000 -7.569 -7.499 1.00 0.00 H new ATOM 0 HB THR A 70 -8.613 -5.589 -9.081 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.291 -6.380 -11.161 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.552 -7.618 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.697 -7.740 -8.258 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.831 -8.624 -9.307 1.00 0.00 H new ATOM 1045 N TRP A 71 -8.804 -5.344 -6.490 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.544 -4.227 -5.538 1.00 0.00 C ATOM 1047 C TRP A 71 -7.078 -3.805 -5.632 1.00 0.00 C ATOM 1048 O TRP A 71 -6.265 -4.473 -6.240 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.836 -4.696 -4.110 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.276 -4.463 -3.785 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.308 -5.175 -4.290 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.859 -3.472 -2.891 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.489 -4.683 -3.764 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.265 -3.632 -2.897 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.312 -2.458 -2.083 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.098 -2.816 -2.130 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.148 -1.638 -1.309 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.537 -1.817 -1.332 1.00 0.00 C ATOM 0 H TRP A 71 -8.017 -5.975 -6.644 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.187 -3.383 -5.790 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.598 -5.755 -4.009 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.203 -4.158 -3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.224 -5.994 -4.989 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.413 -5.052 -3.989 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.243 -2.310 -2.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.169 -2.956 -2.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.717 -0.864 -0.691 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.174 -1.183 -0.733 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.732 -2.705 -5.022 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.317 -2.242 -5.061 1.00 0.00 C ATOM 1071 C ARG A 72 -4.826 -2.048 -3.627 1.00 0.00 C ATOM 1072 O ARG A 72 -5.528 -1.516 -2.790 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.230 -0.918 -5.820 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.586 -1.146 -7.291 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.950 -0.521 -7.589 1.00 0.00 C ATOM 1076 NE ARG A 72 -7.733 -1.427 -8.479 1.00 0.00 N ATOM 1077 CZ ARG A 72 -7.130 -2.108 -9.416 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -6.719 -1.506 -10.497 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -6.936 -3.390 -9.268 1.00 0.00 N ATOM 0 H ARG A 72 -7.370 -2.106 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.697 -2.981 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.910 -0.189 -5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.224 -0.506 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.824 -0.705 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.608 -2.214 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.493 -0.349 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.820 0.450 -8.066 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.742 -1.515 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.868 -0.503 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.248 -2.038 -11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.255 -3.860 -8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.465 -3.922 -10.000 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.634 -2.483 -3.327 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.120 -2.329 -1.938 1.00 0.00 C ATOM 1095 C GLU A 73 -1.921 -1.378 -1.918 1.00 0.00 C ATOM 1096 O GLU A 73 -1.193 -1.252 -2.885 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.687 -3.697 -1.404 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.440 -4.166 -2.156 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.998 -5.525 -1.615 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -1.864 -6.317 -1.280 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.199 -5.752 -1.543 1.00 0.00 O ATOM 0 H GLU A 73 -2.996 -2.937 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.911 -1.917 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.478 -3.633 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.493 -4.420 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.652 -4.239 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.637 -3.438 -2.040 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.708 -0.712 -0.813 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.555 0.226 -0.716 1.00 0.00 C ATOM 1110 C ALA A 74 0.067 0.121 0.680 1.00 0.00 C ATOM 1111 O ALA A 74 -0.595 -0.215 1.641 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.038 1.657 -0.953 1.00 0.00 C ATOM 0 H ALA A 74 -2.284 -0.779 0.026 1.00 0.00 H new ATOM 0 HA ALA A 74 0.190 -0.033 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.194 2.343 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.483 1.731 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.782 1.919 -0.201 1.00 0.00 H new ATOM 1118 N ASP A 75 1.337 0.404 0.799 1.00 0.00 N ATOM 1119 CA ASP A 75 1.998 0.321 2.134 1.00 0.00 C ATOM 1120 C ASP A 75 1.548 1.502 2.996 1.00 0.00 C ATOM 1121 O ASP A 75 1.430 2.614 2.523 1.00 0.00 O ATOM 1122 CB ASP A 75 3.517 0.369 1.955 1.00 0.00 C ATOM 1123 CG ASP A 75 4.118 -0.998 2.288 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.433 -1.787 2.917 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.253 -1.232 1.908 1.00 0.00 O ATOM 0 H ASP A 75 1.944 0.689 0.031 1.00 0.00 H new ATOM 0 HA ASP A 75 1.720 -0.613 2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.764 0.646 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.945 1.133 2.603 1.00 0.00 H new ATOM 1130 N ILE A 76 1.290 1.272 4.255 1.00 0.00 N ATOM 1131 CA ILE A 76 0.844 2.392 5.132 1.00 0.00 C ATOM 1132 C ILE A 76 1.647 2.386 6.436 1.00 0.00 C ATOM 1133 O ILE A 76 1.881 1.351 7.027 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.643 2.225 5.449 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.452 2.297 4.152 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -1.094 3.342 6.392 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.478 3.740 3.641 1.00 0.00 C ATOM 0 H ILE A 76 1.368 0.363 4.712 1.00 0.00 H new ATOM 0 HA ILE A 76 1.007 3.339 4.617 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.805 1.259 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.011 1.642 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.468 1.944 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.154 3.222 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.519 3.292 7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.931 4.309 5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.055 3.789 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.939 4.383 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.459 4.077 3.451 1.00 0.00 H new ATOM 1149 N ASN A 77 2.057 3.539 6.891 1.00 0.00 N ATOM 1150 CA ASN A 77 2.834 3.615 8.164 1.00 0.00 C ATOM 1151 C ASN A 77 4.251 3.076 7.951 1.00 0.00 C ATOM 1152 O ASN A 77 4.995 2.883 8.891 1.00 0.00 O ATOM 1153 CB ASN A 77 2.129 2.783 9.238 1.00 0.00 C ATOM 1154 CG ASN A 77 1.650 3.704 10.362 1.00 0.00 C ATOM 1155 OD1 ASN A 77 2.153 4.798 10.523 1.00 0.00 O ATOM 1156 ND2 ASN A 77 0.691 3.303 11.151 1.00 0.00 N ATOM 0 H ASN A 77 1.887 4.435 6.435 1.00 0.00 H new ATOM 0 HA ASN A 77 2.895 4.656 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.283 2.251 8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.810 2.030 9.635 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.363 3.908 11.904 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.269 2.384 11.015 1.00 0.00 H new ATOM 1163 N TYR A 78 4.633 2.831 6.729 1.00 0.00 N ATOM 1164 CA TYR A 78 5.997 2.308 6.471 1.00 0.00 C ATOM 1165 C TYR A 78 7.029 3.400 6.761 1.00 0.00 C ATOM 1166 O TYR A 78 6.802 4.566 6.504 1.00 0.00 O ATOM 1167 CB TYR A 78 6.113 1.870 5.010 1.00 0.00 C ATOM 1168 CG TYR A 78 7.433 1.170 4.797 1.00 0.00 C ATOM 1169 CD1 TYR A 78 7.893 0.242 5.739 1.00 0.00 C ATOM 1170 CD2 TYR A 78 8.197 1.449 3.658 1.00 0.00 C ATOM 1171 CE1 TYR A 78 9.117 -0.408 5.542 1.00 0.00 C ATOM 1172 CE2 TYR A 78 9.421 0.799 3.460 1.00 0.00 C ATOM 1173 CZ TYR A 78 9.882 -0.129 4.402 1.00 0.00 C ATOM 1174 OH TYR A 78 11.088 -0.769 4.206 1.00 0.00 O ATOM 0 H TYR A 78 4.057 2.971 5.899 1.00 0.00 H new ATOM 0 HA TYR A 78 6.183 1.452 7.120 1.00 0.00 H new ATOM 0 HB2 TYR A 78 5.290 1.203 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.039 2.736 4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.303 0.028 6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.842 2.166 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.471 -1.124 6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.010 1.013 2.580 1.00 0.00 H new ATOM 0 HH TYR A 78 11.317 -1.288 5.005 1.00 0.00 H new ATOM 1184 N THR A 79 8.162 3.033 7.295 1.00 0.00 N ATOM 1185 CA THR A 79 9.207 4.053 7.600 1.00 0.00 C ATOM 1186 C THR A 79 10.580 3.498 7.242 1.00 0.00 C ATOM 1187 O THR A 79 11.301 4.052 6.435 1.00 0.00 O ATOM 1188 CB THR A 79 9.170 4.395 9.092 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.234 3.197 9.853 1.00 0.00 O ATOM 1190 CG2 THR A 79 7.873 5.140 9.416 1.00 0.00 C ATOM 0 H THR A 79 8.410 2.073 7.533 1.00 0.00 H new ATOM 0 HA THR A 79 9.014 4.953 7.016 1.00 0.00 H new ATOM 0 HB THR A 79 10.021 5.029 9.340 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.212 3.415 10.808 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.848 5.383 10.478 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.826 6.060 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.019 4.509 9.168 1.00 0.00 H new ATOM 1198 N SER A 80 10.939 2.410 7.841 1.00 0.00 N ATOM 1199 CA SER A 80 12.266 1.794 7.555 1.00 0.00 C ATOM 1200 C SER A 80 12.321 0.393 8.165 1.00 0.00 C ATOM 1201 O SER A 80 11.524 0.042 9.013 1.00 0.00 O ATOM 1202 CB SER A 80 13.370 2.659 8.164 1.00 0.00 C ATOM 1203 OG SER A 80 14.116 3.272 7.120 1.00 0.00 O ATOM 0 H SER A 80 10.370 1.910 8.524 1.00 0.00 H new ATOM 0 HA SER A 80 12.410 1.726 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.936 3.420 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.026 2.048 8.785 1.00 0.00 H new ATOM 0 HG SER A 80 13.507 3.757 6.525 1.00 0.00 H new ATOM 1209 N GLY A 81 13.256 -0.414 7.740 1.00 0.00 N ATOM 1210 CA GLY A 81 13.363 -1.792 8.296 1.00 0.00 C ATOM 1211 C GLY A 81 12.382 -2.715 7.570 1.00 0.00 C ATOM 1212 O GLY A 81 11.676 -2.303 6.671 1.00 0.00 O ATOM 0 H GLY A 81 13.950 -0.177 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.381 -2.164 8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.146 -1.782 9.364 1.00 0.00 H new ATOM 1216 N PHE A 82 12.331 -3.963 7.952 1.00 0.00 N ATOM 1217 CA PHE A 82 11.396 -4.909 7.281 1.00 0.00 C ATOM 1218 C PHE A 82 10.024 -4.248 7.133 1.00 0.00 C ATOM 1219 O PHE A 82 9.704 -3.299 7.820 1.00 0.00 O ATOM 1220 CB PHE A 82 11.265 -6.179 8.124 1.00 0.00 C ATOM 1221 CG PHE A 82 12.159 -7.256 7.557 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.495 -7.345 7.967 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.653 -8.165 6.620 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.324 -8.343 7.442 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.482 -9.164 6.095 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.818 -9.252 6.505 1.00 0.00 C ATOM 0 H PHE A 82 12.896 -4.367 8.699 1.00 0.00 H new ATOM 0 HA PHE A 82 11.783 -5.167 6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.539 -5.971 9.158 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.229 -6.518 8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.886 -6.643 8.689 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.623 -8.096 6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.354 -8.412 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.091 -9.867 5.374 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.458 -10.021 6.098 1.00 0.00 H new ATOM 1236 N ARG A 83 9.210 -4.741 6.238 1.00 0.00 N ATOM 1237 CA ARG A 83 7.860 -4.138 6.046 1.00 0.00 C ATOM 1238 C ARG A 83 6.979 -4.452 7.259 1.00 0.00 C ATOM 1239 O ARG A 83 7.249 -5.363 8.016 1.00 0.00 O ATOM 1240 CB ARG A 83 7.216 -4.720 4.786 1.00 0.00 C ATOM 1241 CG ARG A 83 8.152 -4.521 3.592 1.00 0.00 C ATOM 1242 CD ARG A 83 7.460 -5.001 2.315 1.00 0.00 C ATOM 1243 NE ARG A 83 7.188 -6.463 2.418 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.351 -7.029 1.592 1.00 0.00 C ATOM 1245 NH1 ARG A 83 5.082 -7.090 1.887 1.00 0.00 N ATOM 1246 NH2 ARG A 83 6.785 -7.537 0.470 1.00 0.00 N ATOM 0 H ARG A 83 9.422 -5.534 5.633 1.00 0.00 H new ATOM 0 HA ARG A 83 7.959 -3.058 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.011 -5.781 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.259 -4.233 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.421 -3.469 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.078 -5.074 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.528 -4.456 2.167 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.089 -4.797 1.449 1.00 0.00 H new ATOM 0 HE ARG A 83 7.655 -7.020 3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.743 -6.695 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.429 -7.533 1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.778 -7.491 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.131 -7.980 -0.176 1.00 0.00 H new ATOM 1260 N ASN A 84 5.925 -3.704 7.446 1.00 0.00 N ATOM 1261 CA ASN A 84 5.024 -3.958 8.606 1.00 0.00 C ATOM 1262 C ASN A 84 3.734 -4.615 8.111 1.00 0.00 C ATOM 1263 O ASN A 84 3.647 -5.061 6.984 1.00 0.00 O ATOM 1264 CB ASN A 84 4.694 -2.631 9.293 1.00 0.00 C ATOM 1265 CG ASN A 84 4.525 -1.540 8.237 1.00 0.00 C ATOM 1266 OD1 ASN A 84 3.419 -1.209 7.859 1.00 0.00 O ATOM 1267 ND2 ASN A 84 5.584 -0.960 7.739 1.00 0.00 N ATOM 0 H ASN A 84 5.649 -2.928 6.845 1.00 0.00 H new ATOM 0 HA ASN A 84 5.519 -4.620 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.780 -2.730 9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.490 -2.360 9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.482 -0.230 7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.513 -1.237 8.055 1.00 0.00 H new ATOM 1274 N SER A 85 2.729 -4.681 8.943 1.00 0.00 N ATOM 1275 CA SER A 85 1.450 -5.312 8.514 1.00 0.00 C ATOM 1276 C SER A 85 0.391 -4.230 8.287 1.00 0.00 C ATOM 1277 O SER A 85 -0.793 -4.469 8.429 1.00 0.00 O ATOM 1278 CB SER A 85 0.968 -6.276 9.599 1.00 0.00 C ATOM 1279 OG SER A 85 2.089 -6.763 10.325 1.00 0.00 O ATOM 0 H SER A 85 2.739 -4.326 9.899 1.00 0.00 H new ATOM 0 HA SER A 85 1.612 -5.859 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.277 -5.768 10.272 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.423 -7.106 9.149 1.00 0.00 H new ATOM 0 HG SER A 85 1.784 -7.380 11.023 1.00 0.00 H new ATOM 1285 N ASP A 86 0.802 -3.042 7.934 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.188 -1.953 7.697 1.00 0.00 C ATOM 1287 C ASP A 86 -0.251 -1.631 6.203 1.00 0.00 C ATOM 1288 O ASP A 86 0.754 -1.375 5.568 1.00 0.00 O ATOM 1289 CB ASP A 86 0.228 -0.701 8.468 1.00 0.00 C ATOM 1290 CG ASP A 86 0.284 -1.017 9.963 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.504 -2.169 10.298 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.105 -0.100 10.749 1.00 0.00 O ATOM 0 H ASP A 86 1.778 -2.779 7.800 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.169 -2.281 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.202 -0.355 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.481 0.106 8.282 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.427 -1.638 5.640 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.560 -1.334 4.187 1.00 0.00 C ATOM 1299 C ARG A 87 -2.983 -0.856 3.891 1.00 0.00 C ATOM 1300 O ARG A 87 -3.937 -1.314 4.485 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.276 -2.601 3.375 1.00 0.00 C ATOM 1302 CG ARG A 87 0.235 -2.785 3.219 1.00 0.00 C ATOM 1303 CD ARG A 87 0.566 -3.069 1.752 1.00 0.00 C ATOM 1304 NE ARG A 87 1.918 -3.689 1.661 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.294 -4.279 0.558 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.835 -3.581 -0.403 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.129 -5.565 0.417 1.00 0.00 N ATOM 0 H ARG A 87 -2.302 -1.841 6.123 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.849 -0.554 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.708 -3.469 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.747 -2.529 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.758 -1.889 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.579 -3.608 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.182 -3.735 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.538 -2.144 1.176 1.00 0.00 H new ATOM 0 HE ARG A 87 2.550 -3.653 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.964 -2.575 -0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.129 -4.041 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.706 -6.110 1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.423 -6.025 -0.444 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.136 0.056 2.972 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.499 0.555 2.636 1.00 0.00 C ATOM 1323 C ILE A 88 -4.960 -0.091 1.325 1.00 0.00 C ATOM 1324 O ILE A 88 -4.231 -0.130 0.351 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.459 2.078 2.483 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.882 2.635 2.478 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.771 2.444 1.171 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.847 4.113 2.090 1.00 0.00 C ATOM 0 H ILE A 88 -2.376 0.478 2.439 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.197 0.295 3.432 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.905 2.505 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.500 2.077 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.334 2.517 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.744 3.528 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.753 2.054 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.324 2.011 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.861 4.512 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.243 4.664 2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.412 4.218 1.096 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.163 -0.602 1.295 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.673 -1.248 0.052 1.00 0.00 C ATOM 1342 C LEU A 89 -7.655 -0.306 -0.650 1.00 0.00 C ATOM 1343 O LEU A 89 -8.794 -0.181 -0.248 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.404 -2.549 0.410 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.393 -3.628 0.799 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.319 -3.728 -0.281 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.743 -3.264 2.136 1.00 0.00 C ATOM 0 H LEU A 89 -6.815 -0.599 2.080 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.833 -1.466 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.095 -2.372 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.000 -2.886 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.903 -4.587 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.597 -4.497 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.783 -3.989 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.809 -2.769 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.023 -4.034 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.232 -2.306 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.511 -3.193 2.906 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.239 0.345 -1.703 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.178 1.256 -2.421 1.00 0.00 C ATOM 1361 C TYR A 90 -8.756 0.517 -3.632 1.00 0.00 C ATOM 1362 O TYR A 90 -8.071 -0.242 -4.289 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.456 2.532 -2.876 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.101 2.201 -3.454 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.000 2.027 -2.606 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -5.942 2.082 -4.840 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.742 1.733 -3.144 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.684 1.788 -5.377 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.583 1.612 -4.530 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.343 1.322 -5.060 1.00 0.00 O ATOM 0 H TYR A 90 -6.299 0.287 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.983 1.547 -1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.058 3.050 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.341 3.211 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.122 2.120 -1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.790 2.217 -5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.893 1.599 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.562 1.697 -6.446 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.115 0.389 -4.867 1.00 0.00 H new ATOM 1380 N SER A 91 -10.016 0.713 -3.921 1.00 0.00 N ATOM 1381 CA SER A 91 -10.634 -0.002 -5.077 1.00 0.00 C ATOM 1382 C SER A 91 -10.828 0.957 -6.256 1.00 0.00 C ATOM 1383 O SER A 91 -10.690 2.158 -6.126 1.00 0.00 O ATOM 1384 CB SER A 91 -11.990 -0.566 -4.656 1.00 0.00 C ATOM 1385 OG SER A 91 -12.047 -1.947 -4.986 1.00 0.00 O ATOM 0 H SER A 91 -10.642 1.335 -3.409 1.00 0.00 H new ATOM 0 HA SER A 91 -9.973 -0.812 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.137 -0.430 -3.584 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.793 -0.027 -5.159 1.00 0.00 H new ATOM 0 HG SER A 91 -11.867 -2.482 -4.185 1.00 0.00 H new ATOM 1391 N SER A 92 -11.151 0.429 -7.409 1.00 0.00 N ATOM 1392 CA SER A 92 -11.356 1.300 -8.603 1.00 0.00 C ATOM 1393 C SER A 92 -12.566 2.202 -8.376 1.00 0.00 C ATOM 1394 O SER A 92 -12.717 3.230 -9.006 1.00 0.00 O ATOM 1395 CB SER A 92 -11.591 0.430 -9.838 1.00 0.00 C ATOM 1396 OG SER A 92 -12.749 -0.370 -9.635 1.00 0.00 O ATOM 0 H SER A 92 -11.282 -0.569 -7.574 1.00 0.00 H new ATOM 0 HA SER A 92 -10.470 1.915 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.718 1.057 -10.720 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.724 -0.205 -10.021 1.00 0.00 H new ATOM 0 HG SER A 92 -12.904 -0.928 -10.426 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.422 1.828 -7.474 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.616 2.659 -7.192 1.00 0.00 C ATOM 1404 C ASP A 93 -14.270 3.668 -6.097 1.00 0.00 C ATOM 1405 O ASP A 93 -15.134 4.250 -5.472 1.00 0.00 O ATOM 1406 CB ASP A 93 -15.773 1.765 -6.734 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.497 1.247 -5.323 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.355 1.313 -4.902 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.434 0.793 -4.687 1.00 0.00 O ATOM 0 H ASP A 93 -13.345 0.977 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.919 3.189 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.707 2.327 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.893 0.928 -7.422 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.001 3.878 -5.874 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.560 4.848 -4.836 1.00 0.00 C ATOM 1416 C TRP A 94 -12.912 4.333 -3.440 1.00 0.00 C ATOM 1417 O TRP A 94 -13.089 5.100 -2.513 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.217 6.206 -5.079 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.275 7.066 -5.858 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.624 7.862 -6.893 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.834 7.220 -5.690 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.491 8.499 -7.370 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.363 8.135 -6.661 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.900 6.661 -4.798 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.012 8.480 -6.744 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.543 7.007 -4.881 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.100 7.914 -5.851 1.00 0.00 C ATOM 0 H TRP A 94 -12.244 3.412 -6.374 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.478 4.961 -4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.152 6.080 -5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.464 6.681 -4.129 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.624 7.982 -7.284 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.490 9.157 -8.150 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.230 5.961 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.675 9.180 -7.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.835 6.571 -4.192 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.054 8.176 -5.909 1.00 0.00 H new ATOM 1438 N LEU A 95 -12.987 3.041 -3.271 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.293 2.490 -1.923 1.00 0.00 C ATOM 1440 C LEU A 95 -11.976 2.356 -1.162 1.00 0.00 C ATOM 1441 O LEU A 95 -11.200 1.453 -1.406 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.945 1.111 -2.052 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.467 1.252 -2.049 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.105 -0.138 -2.016 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.906 2.041 -0.813 1.00 0.00 C ATOM 0 H LEU A 95 -12.850 2.347 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.981 3.152 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.618 0.629 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.629 0.471 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.784 1.780 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.191 -0.040 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.793 -0.702 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.786 -0.663 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.991 2.141 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.589 1.514 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.450 3.031 -0.833 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.701 3.257 -0.262 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.417 3.181 0.484 1.00 0.00 C ATOM 1459 C ILE A 96 -10.603 2.437 1.805 1.00 0.00 C ATOM 1460 O ILE A 96 -11.382 2.826 2.653 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.904 4.592 0.765 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.232 5.501 -0.421 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.391 4.543 0.968 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.623 6.885 -0.187 1.00 0.00 C ATOM 0 H ILE A 96 -12.307 4.039 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.694 2.638 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.382 4.985 1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.840 5.070 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.312 5.583 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.018 5.547 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.158 3.894 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.916 4.153 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.857 7.533 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.037 7.315 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.541 6.794 -0.087 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.867 1.376 1.988 1.00 0.00 N ATOM 1477 CA TYR A 97 -9.956 0.598 3.252 1.00 0.00 C ATOM 1478 C TYR A 97 -8.570 0.580 3.896 1.00 0.00 C ATOM 1479 O TYR A 97 -7.585 0.884 3.258 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.399 -0.835 2.944 1.00 0.00 C ATOM 1481 CG TYR A 97 -11.902 -0.936 3.054 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.710 -0.499 1.998 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.485 -1.465 4.210 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.103 -0.593 2.098 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -13.879 -1.560 4.311 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.688 -1.123 3.255 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.061 -1.215 3.354 1.00 0.00 O ATOM 0 H TYR A 97 -9.201 1.012 1.307 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.681 1.053 3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.078 -1.118 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.926 -1.530 3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.259 -0.089 1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.860 -1.800 5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.727 -0.257 1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.329 -1.970 5.203 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.301 -1.606 4.220 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.474 0.235 5.147 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.135 0.215 5.801 1.00 0.00 C ATOM 1499 C LYS A 98 -6.986 -1.057 6.639 1.00 0.00 C ATOM 1500 O LYS A 98 -7.929 -1.531 7.241 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.996 1.439 6.708 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.260 1.592 7.556 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.890 1.533 9.040 1.00 0.00 C ATOM 1504 CE LYS A 98 -8.337 2.824 9.729 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.204 3.791 9.754 1.00 0.00 N ATOM 0 H LYS A 98 -9.257 -0.033 5.743 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.360 0.234 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.124 1.330 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.838 2.334 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.750 2.539 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.970 0.801 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.367 0.673 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.814 1.402 9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.186 3.256 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.669 2.610 10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.507 4.669 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.406 3.377 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.907 4.003 8.780 1.00 0.00 H new ATOM 1519 N THR A 99 -5.803 -1.607 6.691 1.00 0.00 N ATOM 1520 CA THR A 99 -5.586 -2.844 7.497 1.00 0.00 C ATOM 1521 C THR A 99 -4.339 -2.664 8.366 1.00 0.00 C ATOM 1522 O THR A 99 -3.289 -2.282 7.889 1.00 0.00 O ATOM 1523 CB THR A 99 -5.388 -4.051 6.574 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.475 -4.956 7.177 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.834 -3.594 5.223 1.00 0.00 C ATOM 0 H THR A 99 -4.976 -1.253 6.210 1.00 0.00 H new ATOM 0 HA THR A 99 -6.459 -3.018 8.126 1.00 0.00 H new ATOM 0 HB THR A 99 -6.348 -4.543 6.416 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.892 -5.365 7.964 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.697 -4.459 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.534 -2.900 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.875 -3.097 5.372 1.00 0.00 H new ATOM 1533 N THR A 100 -4.446 -2.934 9.638 1.00 0.00 N ATOM 1534 CA THR A 100 -3.267 -2.776 10.534 1.00 0.00 C ATOM 1535 C THR A 100 -2.924 -4.123 11.174 1.00 0.00 C ATOM 1536 O THR A 100 -2.372 -4.186 12.255 1.00 0.00 O ATOM 1537 CB THR A 100 -3.594 -1.757 11.628 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.846 -2.083 12.216 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.664 -0.356 11.019 1.00 0.00 C ATOM 0 H THR A 100 -5.299 -3.257 10.095 1.00 0.00 H new ATOM 0 HA THR A 100 -2.414 -2.426 9.953 1.00 0.00 H new ATOM 0 HB THR A 100 -2.816 -1.780 12.391 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.057 -1.433 12.918 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.897 0.369 11.799 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.704 -0.107 10.568 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.441 -0.330 10.255 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.244 -5.203 10.514 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.934 -6.544 11.085 1.00 0.00 C ATOM 1549 C ASP A 101 -2.597 -7.515 9.952 1.00 0.00 C ATOM 1550 O ASP A 101 -2.710 -8.715 10.100 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.147 -7.063 11.859 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.411 -6.860 11.022 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.278 -6.631 9.830 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.491 -6.935 11.586 1.00 0.00 O ATOM 0 H ASP A 101 -3.706 -5.214 9.605 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.082 -6.463 11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.018 -8.120 12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.238 -6.536 12.809 1.00 0.00 H new ATOM 1559 N HIS A 102 -2.187 -7.001 8.821 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.841 -7.888 7.672 1.00 0.00 C ATOM 1561 C HIS A 102 -3.124 -8.318 6.961 1.00 0.00 C ATOM 1562 O HIS A 102 -3.533 -9.461 7.028 1.00 0.00 O ATOM 1563 CB HIS A 102 -1.095 -9.125 8.176 1.00 0.00 C ATOM 1564 CG HIS A 102 -0.173 -9.631 7.100 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.430 -10.794 6.392 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.011 -9.145 6.606 1.00 0.00 C ATOM 1567 CE1 HIS A 102 0.577 -10.969 5.518 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.484 -9.991 5.606 1.00 0.00 N ATOM 0 H HIS A 102 -2.077 -6.003 8.644 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.201 -7.345 6.977 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.525 -8.878 9.072 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.806 -9.903 8.455 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.502 -8.243 6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.645 -11.798 4.829 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.338 -9.887 5.059 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.763 -7.408 6.279 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.021 -7.754 5.561 1.00 0.00 C ATOM 1578 C TYR A 103 -5.898 -8.638 6.454 1.00 0.00 C ATOM 1579 O TYR A 103 -6.704 -9.412 5.976 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.680 -8.499 4.268 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.529 -7.804 3.579 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.731 -6.566 2.957 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.261 -8.397 3.560 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.666 -5.920 2.319 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.195 -7.752 2.921 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.397 -6.514 2.300 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.347 -5.877 1.670 1.00 0.00 O ATOM 0 H TYR A 103 -3.467 -6.436 6.188 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.565 -6.841 5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.415 -9.533 4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.549 -8.526 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.710 -6.109 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.105 -9.353 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.822 -4.964 1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.217 -8.210 2.907 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.179 -6.302 0.803 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.755 -8.520 7.747 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.589 -9.344 8.669 1.00 0.00 C ATOM 1599 C GLN A 104 -7.829 -8.545 9.064 1.00 0.00 C ATOM 1600 O GLN A 104 -8.810 -9.083 9.539 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.784 -9.691 9.923 1.00 0.00 C ATOM 1602 CG GLN A 104 -5.213 -11.106 9.794 1.00 0.00 C ATOM 1603 CD GLN A 104 -6.351 -12.124 9.883 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -7.507 -11.775 9.750 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -6.071 -13.380 10.105 1.00 0.00 N ATOM 0 H GLN A 104 -5.097 -7.889 8.204 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.886 -10.266 8.169 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.975 -8.973 10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.420 -9.624 10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.688 -11.213 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.484 -11.289 10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.101 -13.674 10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.823 -14.067 10.167 1.00 0.00 H new ATOM 1614 N THR A 105 -7.785 -7.261 8.863 1.00 0.00 N ATOM 1615 CA THR A 105 -8.948 -6.400 9.211 1.00 0.00 C ATOM 1616 C THR A 105 -8.982 -5.205 8.258 1.00 0.00 C ATOM 1617 O THR A 105 -7.962 -4.626 7.941 1.00 0.00 O ATOM 1618 CB THR A 105 -8.807 -5.902 10.652 1.00 0.00 C ATOM 1619 OG1 THR A 105 -8.825 -7.011 11.539 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.965 -4.959 10.984 1.00 0.00 C ATOM 0 H THR A 105 -6.986 -6.765 8.469 1.00 0.00 H new ATOM 0 HA THR A 105 -9.871 -6.973 9.120 1.00 0.00 H new ATOM 0 HB THR A 105 -7.864 -5.366 10.761 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.937 -7.126 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.863 -4.605 12.010 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.948 -4.108 10.303 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.910 -5.491 10.876 1.00 0.00 H new ATOM 1628 N PHE A 106 -10.141 -4.834 7.790 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.222 -3.681 6.851 1.00 0.00 C ATOM 1630 C PHE A 106 -11.182 -2.626 7.399 1.00 0.00 C ATOM 1631 O PHE A 106 -12.258 -2.934 7.873 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.726 -4.169 5.492 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.759 -5.181 4.927 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.632 -4.750 4.219 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.990 -6.548 5.113 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.734 -5.689 3.694 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -9.093 -7.486 4.588 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.966 -7.057 3.879 1.00 0.00 C ATOM 0 H PHE A 106 -11.032 -5.277 8.016 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.232 -3.239 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.715 -4.616 5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.829 -3.327 4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.454 -3.694 4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.860 -6.880 5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.864 -5.358 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.271 -8.542 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.275 -7.781 3.474 1.00 0.00 H new ATOM 1648 N THR A 107 -10.802 -1.381 7.328 1.00 0.00 N ATOM 1649 CA THR A 107 -11.689 -0.296 7.833 1.00 0.00 C ATOM 1650 C THR A 107 -11.896 0.736 6.723 1.00 0.00 C ATOM 1651 O THR A 107 -10.972 1.105 6.026 1.00 0.00 O ATOM 1652 CB THR A 107 -11.038 0.377 9.045 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.321 -0.595 9.794 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.120 1.008 9.923 1.00 0.00 C ATOM 0 H THR A 107 -9.912 -1.067 6.941 1.00 0.00 H new ATOM 0 HA THR A 107 -12.650 -0.715 8.130 1.00 0.00 H new ATOM 0 HB THR A 107 -10.352 1.154 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.037 -0.206 10.648 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.656 1.487 10.785 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.668 1.753 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.808 0.235 10.264 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.102 1.202 6.546 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.363 2.204 5.476 1.00 0.00 C ATOM 1664 C LYS A 108 -12.935 3.591 5.954 1.00 0.00 C ATOM 1665 O LYS A 108 -13.224 3.994 7.063 1.00 0.00 O ATOM 1666 CB LYS A 108 -14.856 2.217 5.143 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.156 3.366 4.180 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.120 2.887 3.094 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.384 3.749 3.116 1.00 0.00 C ATOM 1670 NZ LYS A 108 -17.120 5.038 2.417 1.00 0.00 N ATOM 0 H LYS A 108 -13.917 0.932 7.096 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.793 1.938 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.147 1.267 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.442 2.331 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.592 4.205 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.232 3.725 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.642 2.948 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.378 1.841 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.205 3.221 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.690 3.937 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.979 5.624 2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.349 5.543 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.847 4.849 1.431 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.247 4.327 5.124 1.00 0.00 N ATOM 1685 CA ILE A 109 -11.802 5.690 5.530 1.00 0.00 C ATOM 1686 C ILE A 109 -11.899 6.635 4.330 1.00 0.00 C ATOM 1687 O ILE A 109 -10.927 7.238 3.923 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.352 5.628 6.013 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.587 4.587 5.192 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.321 5.234 7.490 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.084 4.843 5.311 1.00 0.00 C ATOM 0 H ILE A 109 -11.974 4.043 4.183 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.439 6.057 6.335 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.886 6.605 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.824 3.584 5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.893 4.637 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.287 5.190 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.867 5.974 8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.787 4.257 7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.541 4.101 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.854 5.840 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.784 4.771 6.356 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.066 6.766 3.762 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.226 7.670 2.588 1.00 0.00 C ATOM 1705 C ARG A 110 -12.551 7.044 1.367 1.00 0.00 C ATOM 1706 O ARG A 110 -12.523 5.827 1.288 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.577 9.022 2.892 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.954 9.464 4.308 1.00 0.00 C ATOM 1709 CD ARG A 110 -12.540 10.922 4.514 1.00 0.00 C ATOM 1710 NE ARG A 110 -11.052 11.024 4.544 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.342 10.081 5.103 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -10.451 9.853 6.383 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.521 9.367 4.381 1.00 0.00 N ATOM 1714 OXT ARG A 110 -12.074 7.792 0.529 1.00 0.00 O ATOM 0 H ARG A 110 -13.916 6.286 4.060 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.287 7.814 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.494 8.946 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.907 9.767 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -14.028 9.355 4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.461 8.827 5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -12.940 11.540 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -12.959 11.301 5.446 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.588 11.831 4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.091 10.411 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.896 9.116 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.434 9.546 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.966 8.631 4.817 1.00 0.00 H new TER 1728 ARG A 110