USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 180:sc=0.000252 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -1.23 USER MOD Set 3.1: A 10 THR OG1 : rot 73:sc= 1.31 USER MOD Set 3.2: A 49 GLN : amide:sc= -0.0396 K(o=2.2,f=-0.58!) USER MOD Set 3.3: A 80 HIS : no HD1:sc= 0.972 K(o=2.2,f=-4.5!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.072 (180deg=-0.449) USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= 1.22 (180deg=0.625) USER MOD Single : A 22 TYR OH : rot -130:sc= -1.22 USER MOD Single : A 26 MET CE :methyl 131:sc= -0.96 (180deg=-1.19) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 29 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= -2.67! (180deg=-2.81!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.13) USER MOD Single : A 41 THR OG1 : rot 172:sc= -1.74! USER MOD Single : A 46 MET CE :methyl -146:sc= -0.872 (180deg=-3.4!) USER MOD Single : A 56 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 142:sc= -0.93 USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.14) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= 1.14 (180deg=-0.178!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 104:sc= -0.605! USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -15.324 0.697 -4.351 1.00 0.00 N ATOM 33 CA GLU A 3 -14.436 -0.120 -5.098 1.00 0.00 C ATOM 34 C GLU A 3 -13.536 -0.797 -4.111 1.00 0.00 C ATOM 35 O GLU A 3 -13.115 -0.171 -3.154 1.00 0.00 O ATOM 36 CB GLU A 3 -13.651 0.784 -6.059 1.00 0.00 C ATOM 37 CG GLU A 3 -12.788 0.078 -7.082 1.00 0.00 C ATOM 38 CD GLU A 3 -12.149 1.064 -8.031 1.00 0.00 C ATOM 39 OE1 GLU A 3 -12.871 1.639 -8.883 1.00 0.00 O ATOM 40 OE2 GLU A 3 -10.937 1.290 -7.951 1.00 0.00 O ATOM 0 HA GLU A 3 -14.952 -0.875 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.361 1.420 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.014 1.442 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.013 -0.496 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.394 -0.632 -7.645 1.00 0.00 H new ATOM 47 N VAL A 4 -13.276 -2.053 -4.312 1.00 0.00 N ATOM 48 CA VAL A 4 -12.474 -2.847 -3.399 1.00 0.00 C ATOM 49 C VAL A 4 -11.467 -3.663 -4.170 1.00 0.00 C ATOM 50 O VAL A 4 -11.756 -4.171 -5.262 1.00 0.00 O ATOM 51 CB VAL A 4 -13.332 -3.787 -2.470 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.239 -2.980 -1.549 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.157 -4.776 -3.288 1.00 0.00 C ATOM 0 H VAL A 4 -13.614 -2.573 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.962 -2.143 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.633 -4.352 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.817 -3.659 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.632 -2.331 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.918 -2.373 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.737 -5.409 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.833 -4.229 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.491 -5.397 -3.887 1.00 0.00 H new ATOM 63 N TYR A 5 -10.299 -3.756 -3.636 1.00 0.00 N ATOM 64 CA TYR A 5 -9.240 -4.474 -4.255 1.00 0.00 C ATOM 65 C TYR A 5 -8.675 -5.513 -3.315 1.00 0.00 C ATOM 66 O TYR A 5 -8.669 -5.311 -2.101 1.00 0.00 O ATOM 67 CB TYR A 5 -8.172 -3.524 -4.807 1.00 0.00 C ATOM 68 CG TYR A 5 -7.339 -2.733 -3.832 1.00 0.00 C ATOM 69 CD1 TYR A 5 -7.842 -1.632 -3.153 1.00 0.00 C ATOM 70 CD2 TYR A 5 -6.028 -3.076 -3.627 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.041 -0.911 -2.289 1.00 0.00 C ATOM 72 CE2 TYR A 5 -5.232 -2.369 -2.785 1.00 0.00 C ATOM 73 CZ TYR A 5 -5.727 -1.294 -2.117 1.00 0.00 C ATOM 74 OH TYR A 5 -4.900 -0.602 -1.265 1.00 0.00 O ATOM 0 H TYR A 5 -10.049 -3.329 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.641 -5.012 -5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.492 -4.112 -5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.669 -2.815 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.870 -1.336 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.619 -3.929 -4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.438 -0.060 -1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.202 -2.662 -2.645 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.010 -1.013 -1.268 1.00 0.00 H new ATOM 84 N ASP A 6 -8.312 -6.659 -3.861 1.00 0.00 N ATOM 85 CA ASP A 6 -7.682 -7.722 -3.080 1.00 0.00 C ATOM 86 C ASP A 6 -6.190 -7.520 -3.093 1.00 0.00 C ATOM 87 O ASP A 6 -5.584 -7.308 -4.165 1.00 0.00 O ATOM 88 CB ASP A 6 -7.988 -9.086 -3.664 1.00 0.00 C ATOM 89 CG ASP A 6 -7.388 -10.227 -2.853 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.056 -10.714 -1.912 1.00 0.00 O ATOM 91 OD2 ASP A 6 -6.280 -10.663 -3.167 1.00 0.00 O ATOM 0 H ASP A 6 -8.441 -6.884 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.074 -7.679 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.069 -9.217 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.607 -9.133 -4.684 1.00 0.00 H new ATOM 96 N LEU A 7 -5.617 -7.583 -1.949 1.00 0.00 N ATOM 97 CA LEU A 7 -4.237 -7.362 -1.762 1.00 0.00 C ATOM 98 C LEU A 7 -3.649 -8.577 -1.106 1.00 0.00 C ATOM 99 O LEU A 7 -4.339 -9.285 -0.377 1.00 0.00 O ATOM 100 CB LEU A 7 -3.988 -6.233 -0.744 1.00 0.00 C ATOM 101 CG LEU A 7 -4.698 -4.882 -0.878 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.157 -4.993 -0.518 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.025 -3.853 0.001 1.00 0.00 C ATOM 0 H LEU A 7 -6.117 -7.798 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.808 -7.127 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.238 -6.629 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.917 -6.033 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.630 -4.567 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.633 -4.018 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.643 -5.707 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.252 -5.334 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.537 -2.896 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.068 -4.178 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.984 -3.741 -0.301 1.00 0.00 H new ATOM 115 N GLU A 8 -2.405 -8.801 -1.337 1.00 0.00 N ATOM 116 CA GLU A 8 -1.681 -9.763 -0.574 1.00 0.00 C ATOM 117 C GLU A 8 -0.713 -8.980 0.260 1.00 0.00 C ATOM 118 O GLU A 8 0.089 -8.213 -0.269 1.00 0.00 O ATOM 119 CB GLU A 8 -0.958 -10.773 -1.450 1.00 0.00 C ATOM 120 CG GLU A 8 -0.139 -11.788 -0.670 1.00 0.00 C ATOM 121 CD GLU A 8 0.548 -12.790 -1.558 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.691 -12.547 -1.996 1.00 0.00 O ATOM 123 OE2 GLU A 8 -0.037 -13.836 -1.833 1.00 0.00 O ATOM 0 H GLU A 8 -1.859 -8.327 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.361 -10.353 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.691 -11.302 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.300 -10.239 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.609 -11.264 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.790 -12.314 0.028 1.00 0.00 H new ATOM 130 N ILE A 9 -0.819 -9.110 1.534 1.00 0.00 N ATOM 131 CA ILE A 9 0.002 -8.349 2.430 1.00 0.00 C ATOM 132 C ILE A 9 1.197 -9.160 2.831 1.00 0.00 C ATOM 133 O ILE A 9 1.065 -10.332 3.216 1.00 0.00 O ATOM 134 CB ILE A 9 -0.772 -7.944 3.719 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.088 -7.213 3.392 1.00 0.00 C ATOM 136 CG2 ILE A 9 0.104 -7.091 4.646 1.00 0.00 C ATOM 137 CD1 ILE A 9 -1.921 -5.935 2.595 1.00 0.00 C ATOM 0 H ILE A 9 -1.474 -9.744 1.993 1.00 0.00 H new ATOM 0 HA ILE A 9 0.306 -7.443 1.905 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.028 -8.866 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.735 -7.890 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.599 -6.979 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.463 -6.823 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.988 -7.659 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.410 -6.184 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.899 -5.490 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.303 -5.234 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.441 -6.160 1.643 1.00 0.00 H new ATOM 149 N THR A 10 2.334 -8.564 2.722 1.00 0.00 N ATOM 150 CA THR A 10 3.543 -9.162 3.165 1.00 0.00 C ATOM 151 C THR A 10 4.199 -8.255 4.154 1.00 0.00 C ATOM 152 O THR A 10 4.053 -7.040 4.094 1.00 0.00 O ATOM 153 CB THR A 10 4.540 -9.483 2.020 1.00 0.00 C ATOM 154 OG1 THR A 10 4.840 -8.310 1.239 1.00 0.00 O ATOM 155 CG2 THR A 10 4.020 -10.574 1.129 1.00 0.00 C ATOM 0 H THR A 10 2.450 -7.635 2.317 1.00 0.00 H new ATOM 0 HA THR A 10 3.275 -10.118 3.616 1.00 0.00 H new ATOM 0 HB THR A 10 5.461 -9.830 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.413 -7.709 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.743 -10.773 0.338 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.865 -11.480 1.715 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.074 -10.262 0.686 1.00 0.00 H new ATOM 163 N THR A 11 4.897 -8.816 5.043 1.00 0.00 N ATOM 164 CA THR A 11 5.600 -8.076 6.015 1.00 0.00 C ATOM 165 C THR A 11 6.957 -8.718 6.115 1.00 0.00 C ATOM 166 O THR A 11 7.162 -9.814 5.611 1.00 0.00 O ATOM 167 CB THR A 11 4.905 -8.162 7.390 1.00 0.00 C ATOM 168 OG1 THR A 11 3.495 -8.016 7.228 1.00 0.00 O ATOM 169 CG2 THR A 11 5.376 -7.064 8.331 1.00 0.00 C ATOM 0 H THR A 11 5.005 -9.827 5.126 1.00 0.00 H new ATOM 0 HA THR A 11 5.649 -7.024 5.735 1.00 0.00 H new ATOM 0 HB THR A 11 5.157 -9.133 7.816 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.058 -8.073 8.103 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.863 -7.160 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.451 -7.154 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.152 -6.090 7.895 1.00 0.00 H new ATOM 177 N ASN A 12 7.843 -8.061 6.727 1.00 0.00 N ATOM 178 CA ASN A 12 9.188 -8.580 6.913 1.00 0.00 C ATOM 179 C ASN A 12 9.206 -9.476 8.145 1.00 0.00 C ATOM 180 O ASN A 12 10.028 -10.383 8.274 1.00 0.00 O ATOM 181 CB ASN A 12 10.209 -7.427 7.041 1.00 0.00 C ATOM 182 CG ASN A 12 11.654 -7.905 7.150 1.00 0.00 C ATOM 183 OD1 ASN A 12 12.011 -8.971 6.642 1.00 0.00 O ATOM 184 ND2 ASN A 12 12.494 -7.122 7.782 1.00 0.00 N ATOM 0 H ASN A 12 7.689 -7.137 7.130 1.00 0.00 H new ATOM 0 HA ASN A 12 9.477 -9.168 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.116 -6.771 6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.964 -6.831 7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.475 -7.388 7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.166 -6.247 8.191 1.00 0.00 H new ATOM 191 N ALA A 13 8.260 -9.222 9.035 1.00 0.00 N ATOM 192 CA ALA A 13 8.102 -9.984 10.254 1.00 0.00 C ATOM 193 C ALA A 13 7.250 -11.229 10.042 1.00 0.00 C ATOM 194 O ALA A 13 7.194 -12.102 10.912 1.00 0.00 O ATOM 195 CB ALA A 13 7.469 -9.121 11.334 1.00 0.00 C ATOM 0 H ALA A 13 7.576 -8.473 8.926 1.00 0.00 H new ATOM 0 HA ALA A 13 9.097 -10.302 10.566 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.355 -9.706 12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.107 -8.260 11.532 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.490 -8.778 10.999 1.00 0.00 H new ATOM 201 N THR A 14 6.578 -11.310 8.912 1.00 0.00 N ATOM 202 CA THR A 14 5.701 -12.424 8.650 1.00 0.00 C ATOM 203 C THR A 14 6.217 -13.256 7.499 1.00 0.00 C ATOM 204 O THR A 14 6.721 -12.720 6.510 1.00 0.00 O ATOM 205 CB THR A 14 4.257 -11.953 8.332 1.00 0.00 C ATOM 206 OG1 THR A 14 4.270 -11.054 7.212 1.00 0.00 O ATOM 207 CG2 THR A 14 3.629 -11.256 9.532 1.00 0.00 C ATOM 0 H THR A 14 6.624 -10.618 8.164 1.00 0.00 H new ATOM 0 HA THR A 14 5.679 -13.030 9.556 1.00 0.00 H new ATOM 0 HB THR A 14 3.662 -12.834 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.355 -10.762 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.618 -10.937 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.592 -11.946 10.375 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.227 -10.386 9.801 1.00 0.00 H new ATOM 215 N ASP A 15 6.113 -14.542 7.636 1.00 0.00 N ATOM 216 CA ASP A 15 6.488 -15.453 6.586 1.00 0.00 C ATOM 217 C ASP A 15 5.296 -15.702 5.693 1.00 0.00 C ATOM 218 O ASP A 15 5.412 -15.733 4.467 1.00 0.00 O ATOM 219 CB ASP A 15 6.979 -16.773 7.168 1.00 0.00 C ATOM 220 CG ASP A 15 7.412 -17.755 6.106 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.594 -17.734 5.715 1.00 0.00 O ATOM 222 OD2 ASP A 15 6.590 -18.572 5.661 1.00 0.00 O ATOM 0 H ASP A 15 5.765 -14.996 8.480 1.00 0.00 H new ATOM 0 HA ASP A 15 7.298 -15.009 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.815 -16.580 7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.185 -17.219 7.767 1.00 0.00 H new ATOM 227 N PHE A 16 4.146 -15.841 6.311 1.00 0.00 N ATOM 228 CA PHE A 16 2.913 -16.103 5.595 1.00 0.00 C ATOM 229 C PHE A 16 2.287 -14.813 5.098 1.00 0.00 C ATOM 230 O PHE A 16 1.932 -13.942 5.902 1.00 0.00 O ATOM 231 CB PHE A 16 1.891 -16.828 6.483 1.00 0.00 C ATOM 232 CG PHE A 16 2.296 -18.194 6.942 1.00 0.00 C ATOM 233 CD1 PHE A 16 2.111 -19.291 6.126 1.00 0.00 C ATOM 234 CD2 PHE A 16 2.837 -18.384 8.195 1.00 0.00 C ATOM 235 CE1 PHE A 16 2.464 -20.551 6.550 1.00 0.00 C ATOM 236 CE2 PHE A 16 3.194 -19.639 8.628 1.00 0.00 C ATOM 237 CZ PHE A 16 3.009 -20.727 7.802 1.00 0.00 C ATOM 0 H PHE A 16 4.036 -15.776 7.323 1.00 0.00 H new ATOM 0 HA PHE A 16 3.172 -16.739 4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.695 -16.211 7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.952 -16.910 5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.684 -19.159 5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.983 -17.535 8.846 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.314 -21.401 5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.618 -19.772 9.612 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.291 -21.715 8.136 1.00 0.00 H new ATOM 247 N PRO A 17 2.161 -14.654 3.771 1.00 0.00 N ATOM 248 CA PRO A 17 1.454 -13.522 3.184 1.00 0.00 C ATOM 249 C PRO A 17 -0.026 -13.635 3.516 1.00 0.00 C ATOM 250 O PRO A 17 -0.559 -14.754 3.625 1.00 0.00 O ATOM 251 CB PRO A 17 1.670 -13.696 1.674 1.00 0.00 C ATOM 252 CG PRO A 17 2.782 -14.676 1.544 1.00 0.00 C ATOM 253 CD PRO A 17 2.695 -15.556 2.746 1.00 0.00 C ATOM 0 HA PRO A 17 1.802 -12.555 3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.766 -14.061 1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.925 -12.747 1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.685 -15.257 0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.746 -14.169 1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.038 -16.409 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.670 -15.955 3.027 1.00 0.00 H new ATOM 261 N MET A 18 -0.686 -12.529 3.679 1.00 0.00 N ATOM 262 CA MET A 18 -2.066 -12.557 4.094 1.00 0.00 C ATOM 263 C MET A 18 -2.925 -11.787 3.097 1.00 0.00 C ATOM 264 O MET A 18 -2.670 -10.616 2.840 1.00 0.00 O ATOM 265 CB MET A 18 -2.171 -11.928 5.487 1.00 0.00 C ATOM 266 CG MET A 18 -3.498 -12.133 6.184 1.00 0.00 C ATOM 267 SD MET A 18 -3.565 -11.294 7.780 1.00 0.00 S ATOM 268 CE MET A 18 -5.167 -11.819 8.375 1.00 0.00 C ATOM 0 H MET A 18 -0.299 -11.597 3.533 1.00 0.00 H new ATOM 0 HA MET A 18 -2.424 -13.586 4.130 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.381 -12.339 6.115 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.985 -10.857 5.401 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.302 -11.764 5.547 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.670 -13.200 6.328 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.353 -11.380 9.355 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.939 -11.491 7.679 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.187 -12.906 8.454 1.00 0.00 H new ATOM 278 N GLU A 19 -3.919 -12.443 2.527 1.00 0.00 N ATOM 279 CA GLU A 19 -4.810 -11.794 1.567 1.00 0.00 C ATOM 280 C GLU A 19 -5.841 -10.920 2.285 1.00 0.00 C ATOM 281 O GLU A 19 -6.361 -11.301 3.350 1.00 0.00 O ATOM 282 CB GLU A 19 -5.523 -12.827 0.675 1.00 0.00 C ATOM 283 CG GLU A 19 -6.391 -13.824 1.436 1.00 0.00 C ATOM 284 CD GLU A 19 -7.141 -14.758 0.527 1.00 0.00 C ATOM 285 OE1 GLU A 19 -8.239 -14.389 0.053 1.00 0.00 O ATOM 286 OE2 GLU A 19 -6.651 -15.879 0.269 1.00 0.00 O ATOM 0 H GLU A 19 -4.134 -13.423 2.708 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.195 -11.159 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.146 -12.298 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.773 -13.377 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.762 -14.407 2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.103 -13.279 2.057 1.00 0.00 H new ATOM 293 N LYS A 20 -6.109 -9.758 1.729 1.00 0.00 N ATOM 294 CA LYS A 20 -7.062 -8.835 2.255 1.00 0.00 C ATOM 295 C LYS A 20 -7.807 -8.086 1.168 1.00 0.00 C ATOM 296 O LYS A 20 -7.332 -7.956 0.064 1.00 0.00 O ATOM 297 CB LYS A 20 -6.390 -7.850 3.170 1.00 0.00 C ATOM 298 CG LYS A 20 -6.151 -8.370 4.564 1.00 0.00 C ATOM 299 CD LYS A 20 -5.485 -7.342 5.416 1.00 0.00 C ATOM 300 CE LYS A 20 -5.377 -7.791 6.863 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.713 -7.995 7.472 1.00 0.00 N ATOM 0 H LYS A 20 -5.653 -9.431 0.877 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.791 -9.423 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.435 -7.558 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.002 -6.950 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.100 -8.660 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.532 -9.266 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.489 -7.136 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.047 -6.409 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.807 -8.719 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.825 -7.045 7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.628 -7.982 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.353 -7.234 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.097 -8.912 7.168 1.00 0.00 H new ATOM 315 N LYS A 21 -8.979 -7.615 1.511 1.00 0.00 N ATOM 316 CA LYS A 21 -9.808 -6.813 0.676 1.00 0.00 C ATOM 317 C LYS A 21 -9.930 -5.419 1.280 1.00 0.00 C ATOM 318 O LYS A 21 -10.452 -5.264 2.398 1.00 0.00 O ATOM 319 CB LYS A 21 -11.210 -7.415 0.621 1.00 0.00 C ATOM 320 CG LYS A 21 -11.617 -8.096 -0.680 1.00 0.00 C ATOM 321 CD LYS A 21 -10.831 -9.360 -0.941 1.00 0.00 C ATOM 322 CE LYS A 21 -11.274 -10.026 -2.239 1.00 0.00 C ATOM 323 NZ LYS A 21 -10.550 -11.292 -2.484 1.00 0.00 N ATOM 0 H LYS A 21 -9.392 -7.794 2.426 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.370 -6.768 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.298 -8.143 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.928 -6.622 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.680 -8.334 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.472 -7.404 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.768 -9.126 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.964 -10.052 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.345 -10.222 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.106 -9.344 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.317 -11.369 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.673 -11.304 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.150 -12.095 -2.205 1.00 0.00 H new ATOM 337 N TYR A 22 -9.460 -4.426 0.585 1.00 0.00 N ATOM 338 CA TYR A 22 -9.608 -3.052 1.030 1.00 0.00 C ATOM 339 C TYR A 22 -10.259 -2.221 -0.042 1.00 0.00 C ATOM 340 O TYR A 22 -10.072 -2.489 -1.223 1.00 0.00 O ATOM 341 CB TYR A 22 -8.275 -2.404 1.451 1.00 0.00 C ATOM 342 CG TYR A 22 -7.685 -2.926 2.740 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.239 -2.572 3.963 1.00 0.00 C ATOM 344 CD2 TYR A 22 -6.569 -3.740 2.741 1.00 0.00 C ATOM 345 CE1 TYR A 22 -7.696 -3.017 5.146 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.020 -4.194 3.918 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.587 -3.831 5.118 1.00 0.00 C ATOM 348 OH TYR A 22 -6.032 -4.274 6.292 1.00 0.00 O ATOM 0 H TYR A 22 -8.965 -4.533 -0.301 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.243 -3.083 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.549 -2.552 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.427 -1.329 1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.112 -1.936 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.119 -4.025 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.137 -2.730 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.149 -4.832 3.900 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.067 -4.105 6.282 1.00 0.00 H new ATOM 358 N PRO A 23 -11.072 -1.234 0.338 1.00 0.00 N ATOM 359 CA PRO A 23 -11.676 -0.315 -0.607 1.00 0.00 C ATOM 360 C PRO A 23 -10.644 0.627 -1.188 1.00 0.00 C ATOM 361 O PRO A 23 -9.806 1.149 -0.466 1.00 0.00 O ATOM 362 CB PRO A 23 -12.670 0.493 0.237 1.00 0.00 C ATOM 363 CG PRO A 23 -12.793 -0.253 1.507 1.00 0.00 C ATOM 364 CD PRO A 23 -11.490 -0.944 1.707 1.00 0.00 C ATOM 0 HA PRO A 23 -12.136 -0.842 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.308 1.507 0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.634 0.579 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.008 0.421 2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.612 -0.971 1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.770 -0.311 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.599 -1.853 2.299 1.00 0.00 H new ATOM 372 N ALA A 24 -10.717 0.863 -2.480 1.00 0.00 N ATOM 373 CA ALA A 24 -9.783 1.774 -3.135 1.00 0.00 C ATOM 374 C ALA A 24 -10.019 3.223 -2.686 1.00 0.00 C ATOM 375 O ALA A 24 -9.138 4.079 -2.773 1.00 0.00 O ATOM 376 CB ALA A 24 -9.874 1.633 -4.643 1.00 0.00 C ATOM 0 H ALA A 24 -11.408 0.442 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.770 1.505 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.171 2.319 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.630 0.610 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.887 1.869 -4.970 1.00 0.00 H new ATOM 382 N GLY A 25 -11.197 3.462 -2.165 1.00 0.00 N ATOM 383 CA GLY A 25 -11.568 4.786 -1.695 1.00 0.00 C ATOM 384 C GLY A 25 -11.133 5.040 -0.258 1.00 0.00 C ATOM 385 O GLY A 25 -11.411 6.092 0.305 1.00 0.00 O ATOM 0 H GLY A 25 -11.924 2.756 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.119 5.537 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.649 4.905 -1.770 1.00 0.00 H new ATOM 389 N MET A 26 -10.469 4.067 0.336 1.00 0.00 N ATOM 390 CA MET A 26 -9.956 4.196 1.692 1.00 0.00 C ATOM 391 C MET A 26 -8.591 4.910 1.685 1.00 0.00 C ATOM 392 O MET A 26 -7.898 4.927 0.666 1.00 0.00 O ATOM 393 CB MET A 26 -9.845 2.790 2.334 1.00 0.00 C ATOM 394 CG MET A 26 -9.204 2.754 3.712 1.00 0.00 C ATOM 395 SD MET A 26 -9.147 1.104 4.440 1.00 0.00 S ATOM 396 CE MET A 26 -10.884 0.811 4.739 1.00 0.00 C ATOM 0 H MET A 26 -10.269 3.168 -0.103 1.00 0.00 H new ATOM 0 HA MET A 26 -10.643 4.800 2.284 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.845 2.361 2.405 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.270 2.148 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.189 3.146 3.642 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.757 3.417 4.378 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.160 -0.169 4.349 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.079 0.844 5.811 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.474 1.579 4.239 1.00 0.00 H new ATOM 406 N SER A 27 -8.236 5.510 2.807 1.00 0.00 N ATOM 407 CA SER A 27 -6.946 6.137 2.990 1.00 0.00 C ATOM 408 C SER A 27 -5.951 5.086 3.385 1.00 0.00 C ATOM 409 O SER A 27 -6.328 4.035 3.931 1.00 0.00 O ATOM 410 CB SER A 27 -7.050 7.172 4.109 1.00 0.00 C ATOM 411 OG SER A 27 -7.539 6.583 5.310 1.00 0.00 O ATOM 0 H SER A 27 -8.844 5.575 3.623 1.00 0.00 H new ATOM 0 HA SER A 27 -6.630 6.622 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.071 7.615 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.713 7.980 3.800 1.00 0.00 H new ATOM 0 HG SER A 27 -7.594 7.266 6.010 1.00 0.00 H new ATOM 417 N LEU A 28 -4.682 5.336 3.110 1.00 0.00 N ATOM 418 CA LEU A 28 -3.639 4.408 3.517 1.00 0.00 C ATOM 419 C LEU A 28 -3.697 4.280 5.057 1.00 0.00 C ATOM 420 O LEU A 28 -3.472 3.220 5.599 1.00 0.00 O ATOM 421 CB LEU A 28 -2.263 4.950 3.097 1.00 0.00 C ATOM 422 CG LEU A 28 -1.127 3.941 2.778 1.00 0.00 C ATOM 423 CD1 LEU A 28 0.174 4.671 2.546 1.00 0.00 C ATOM 424 CD2 LEU A 28 -0.947 2.885 3.837 1.00 0.00 C ATOM 0 H LEU A 28 -4.351 6.163 2.613 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.789 3.438 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.409 5.572 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.909 5.604 3.894 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.428 3.420 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.961 3.950 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.062 5.357 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.440 5.234 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.137 2.215 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.704 3.360 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.870 2.315 3.943 1.00 0.00 H new ATOM 436 N ASN A 29 -4.069 5.380 5.733 1.00 0.00 N ATOM 437 CA ASN A 29 -4.121 5.417 7.215 1.00 0.00 C ATOM 438 C ASN A 29 -5.085 4.410 7.806 1.00 0.00 C ATOM 439 O ASN A 29 -4.777 3.780 8.820 1.00 0.00 O ATOM 440 CB ASN A 29 -4.440 6.817 7.778 1.00 0.00 C ATOM 441 CG ASN A 29 -3.324 7.829 7.591 1.00 0.00 C ATOM 442 OD1 ASN A 29 -2.414 7.921 8.417 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.408 8.628 6.568 1.00 0.00 N ATOM 0 H ASN A 29 -4.338 6.255 5.284 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.110 5.145 7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.342 7.194 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.660 6.728 8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.708 9.357 6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.174 8.525 5.902 1.00 0.00 H new ATOM 450 N ASP A 30 -6.232 4.236 7.182 1.00 0.00 N ATOM 451 CA ASP A 30 -7.245 3.328 7.724 1.00 0.00 C ATOM 452 C ASP A 30 -6.808 1.893 7.472 1.00 0.00 C ATOM 453 O ASP A 30 -7.022 1.002 8.296 1.00 0.00 O ATOM 454 CB ASP A 30 -8.597 3.586 7.071 1.00 0.00 C ATOM 455 CG ASP A 30 -9.771 3.052 7.882 1.00 0.00 C ATOM 456 OD1 ASP A 30 -10.071 1.845 7.847 1.00 0.00 O ATOM 457 OD2 ASP A 30 -10.428 3.871 8.559 1.00 0.00 O ATOM 0 H ASP A 30 -6.492 4.700 6.311 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.347 3.499 8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.723 4.659 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.609 3.127 6.083 1.00 0.00 H new ATOM 462 N LEU A 31 -6.139 1.699 6.338 1.00 0.00 N ATOM 463 CA LEU A 31 -5.612 0.394 5.941 1.00 0.00 C ATOM 464 C LEU A 31 -4.506 0.039 6.922 1.00 0.00 C ATOM 465 O LEU A 31 -4.425 -1.086 7.424 1.00 0.00 O ATOM 466 CB LEU A 31 -5.085 0.490 4.473 1.00 0.00 C ATOM 467 CG LEU A 31 -4.649 -0.815 3.740 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.392 -0.531 2.279 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.392 -1.403 4.331 1.00 0.00 C ATOM 0 H LEU A 31 -5.946 2.443 5.667 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.374 -0.385 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.865 0.959 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.232 1.168 4.473 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.463 -1.530 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.088 -1.450 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.302 -0.149 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.600 0.212 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.125 -2.311 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.580 -0.681 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.561 -1.643 5.381 1.00 0.00 H new ATOM 481 N LYS A 32 -3.667 1.018 7.182 1.00 0.00 N ATOM 482 CA LYS A 32 -2.616 0.931 8.170 1.00 0.00 C ATOM 483 C LYS A 32 -3.141 0.560 9.498 1.00 0.00 C ATOM 484 O LYS A 32 -2.699 -0.362 10.046 1.00 0.00 O ATOM 485 CB LYS A 32 -1.926 2.269 8.283 1.00 0.00 C ATOM 486 CG LYS A 32 -0.931 2.533 7.203 1.00 0.00 C ATOM 487 CD LYS A 32 0.333 1.735 7.428 1.00 0.00 C ATOM 488 CE LYS A 32 1.032 2.208 8.679 1.00 0.00 C ATOM 489 NZ LYS A 32 2.223 1.432 8.990 1.00 0.00 N ATOM 0 H LYS A 32 -3.698 1.917 6.701 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.919 0.158 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.679 3.057 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.423 2.326 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.361 2.275 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.694 3.597 7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.092 0.676 7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.996 1.841 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.308 3.256 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.339 2.153 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.735 1.882 9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.947 0.467 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.839 1.392 8.153 1.00 0.00 H new ATOM 503 N LYS A 33 -4.118 1.269 9.981 1.00 0.00 N ATOM 504 CA LYS A 33 -4.668 1.037 11.282 1.00 0.00 C ATOM 505 C LYS A 33 -5.258 -0.380 11.397 1.00 0.00 C ATOM 506 O LYS A 33 -5.351 -0.944 12.486 1.00 0.00 O ATOM 507 CB LYS A 33 -5.712 2.059 11.480 1.00 0.00 C ATOM 508 CG LYS A 33 -6.109 2.214 12.882 1.00 0.00 C ATOM 509 CD LYS A 33 -7.109 3.281 13.016 1.00 0.00 C ATOM 510 CE LYS A 33 -6.605 4.643 12.519 1.00 0.00 C ATOM 511 NZ LYS A 33 -7.622 5.699 12.689 1.00 0.00 N ATOM 0 H LYS A 33 -4.561 2.035 9.474 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.895 1.108 12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.351 3.016 11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.588 1.794 10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.517 1.275 13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.235 2.447 13.490 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.003 3.005 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.401 3.368 14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.702 4.917 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.332 4.568 11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.244 6.604 12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.475 5.450 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.864 5.789 13.696 1.00 0.00 H new ATOM 525 N LYS A 34 -5.639 -0.946 10.264 1.00 0.00 N ATOM 526 CA LYS A 34 -6.150 -2.300 10.213 1.00 0.00 C ATOM 527 C LYS A 34 -4.958 -3.262 10.315 1.00 0.00 C ATOM 528 O LYS A 34 -5.016 -4.283 11.002 1.00 0.00 O ATOM 529 CB LYS A 34 -6.872 -2.526 8.886 1.00 0.00 C ATOM 530 CG LYS A 34 -8.207 -3.245 9.002 1.00 0.00 C ATOM 531 CD LYS A 34 -9.232 -2.372 9.725 1.00 0.00 C ATOM 532 CE LYS A 34 -9.461 -1.058 8.972 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.416 -0.162 9.645 1.00 0.00 N ATOM 0 H LYS A 34 -5.602 -0.479 9.358 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.850 -2.471 11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.036 -1.560 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.221 -3.101 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.576 -3.500 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.075 -4.182 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.175 -2.912 9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.886 -2.160 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.508 -0.542 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.826 -1.280 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.541 0.701 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.332 -0.644 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.051 0.091 10.585 1.00 0.00 H new ATOM 547 N LEU A 35 -3.886 -2.911 9.621 1.00 0.00 N ATOM 548 CA LEU A 35 -2.641 -3.645 9.639 1.00 0.00 C ATOM 549 C LEU A 35 -1.962 -3.531 10.983 1.00 0.00 C ATOM 550 O LEU A 35 -1.625 -4.523 11.583 1.00 0.00 O ATOM 551 CB LEU A 35 -1.712 -3.122 8.545 1.00 0.00 C ATOM 552 CG LEU A 35 -2.055 -3.460 7.102 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.957 -2.954 6.179 1.00 0.00 C ATOM 554 CD2 LEU A 35 -2.257 -4.959 6.918 1.00 0.00 C ATOM 0 H LEU A 35 -3.862 -2.089 9.018 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.864 -4.696 9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.668 -2.036 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.710 -3.499 8.748 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.993 -2.966 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.208 -3.199 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.864 -1.873 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.012 -3.427 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.501 -5.168 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.342 -5.485 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.073 -5.297 7.557 1.00 0.00 H new ATOM 566 N GLU A 36 -1.810 -2.312 11.445 1.00 0.00 N ATOM 567 CA GLU A 36 -1.185 -1.963 12.690 1.00 0.00 C ATOM 568 C GLU A 36 -1.838 -2.674 13.853 1.00 0.00 C ATOM 569 O GLU A 36 -1.197 -2.962 14.842 1.00 0.00 O ATOM 570 CB GLU A 36 -1.245 -0.457 12.884 1.00 0.00 C ATOM 571 CG GLU A 36 -0.465 0.360 11.857 1.00 0.00 C ATOM 572 CD GLU A 36 0.952 -0.092 11.614 1.00 0.00 C ATOM 573 OE1 GLU A 36 1.760 -0.005 12.504 1.00 0.00 O ATOM 574 OE2 GLU A 36 1.253 -0.524 10.468 1.00 0.00 O ATOM 0 H GLU A 36 -2.139 -1.495 10.930 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.143 -2.282 12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.289 -0.144 12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.866 -0.219 13.878 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.005 0.333 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.446 1.400 12.183 1.00 0.00 H new ATOM 581 N LEU A 37 -3.117 -2.936 13.724 1.00 0.00 N ATOM 582 CA LEU A 37 -3.860 -3.691 14.717 1.00 0.00 C ATOM 583 C LEU A 37 -3.277 -5.114 14.858 1.00 0.00 C ATOM 584 O LEU A 37 -3.181 -5.655 15.958 1.00 0.00 O ATOM 585 CB LEU A 37 -5.337 -3.763 14.308 1.00 0.00 C ATOM 586 CG LEU A 37 -6.287 -4.497 15.258 1.00 0.00 C ATOM 587 CD1 LEU A 37 -6.349 -3.808 16.615 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.671 -4.602 14.641 1.00 0.00 C ATOM 0 H LEU A 37 -3.677 -2.633 12.927 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.778 -3.188 15.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.704 -2.744 14.183 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.395 -4.245 13.332 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.900 -5.504 15.417 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.031 -4.352 17.268 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.355 -3.793 17.061 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.706 -2.786 16.488 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.336 -5.126 15.327 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.061 -3.602 14.450 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.610 -5.153 13.703 1.00 0.00 H new ATOM 600 N VAL A 38 -2.884 -5.689 13.738 1.00 0.00 N ATOM 601 CA VAL A 38 -2.324 -7.032 13.700 1.00 0.00 C ATOM 602 C VAL A 38 -0.803 -6.978 13.889 1.00 0.00 C ATOM 603 O VAL A 38 -0.206 -7.856 14.507 1.00 0.00 O ATOM 604 CB VAL A 38 -2.647 -7.721 12.337 1.00 0.00 C ATOM 605 CG1 VAL A 38 -2.108 -9.148 12.286 1.00 0.00 C ATOM 606 CG2 VAL A 38 -4.141 -7.710 12.071 1.00 0.00 C ATOM 0 H VAL A 38 -2.943 -5.239 12.824 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.771 -7.609 14.509 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.148 -7.149 11.555 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.352 -9.595 11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.026 -9.133 12.415 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.561 -9.737 13.084 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.344 -8.195 11.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.656 -8.247 12.868 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.497 -6.680 12.038 1.00 0.00 H new ATOM 616 N VAL A 39 -0.197 -5.923 13.374 1.00 0.00 N ATOM 617 CA VAL A 39 1.252 -5.757 13.409 1.00 0.00 C ATOM 618 C VAL A 39 1.734 -5.241 14.769 1.00 0.00 C ATOM 619 O VAL A 39 2.852 -5.535 15.189 1.00 0.00 O ATOM 620 CB VAL A 39 1.734 -4.821 12.249 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.234 -4.650 12.258 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.299 -5.376 10.897 1.00 0.00 C ATOM 0 H VAL A 39 -0.692 -5.156 12.919 1.00 0.00 H new ATOM 0 HA VAL A 39 1.697 -6.741 13.261 1.00 0.00 H new ATOM 0 HB VAL A 39 1.274 -3.846 12.410 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.530 -3.994 11.439 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.544 -4.210 13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.712 -5.622 12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.643 -4.712 10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.731 -6.367 10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.212 -5.446 10.865 1.00 0.00 H new ATOM 632 N GLY A 40 0.889 -4.512 15.465 1.00 0.00 N ATOM 633 CA GLY A 40 1.253 -4.019 16.772 1.00 0.00 C ATOM 634 C GLY A 40 2.288 -2.909 16.719 1.00 0.00 C ATOM 635 O GLY A 40 2.874 -2.556 17.741 1.00 0.00 O ATOM 0 H GLY A 40 -0.045 -4.250 15.151 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.360 -3.652 17.278 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.642 -4.843 17.370 1.00 0.00 H new ATOM 639 N THR A 41 2.517 -2.364 15.550 1.00 0.00 N ATOM 640 CA THR A 41 3.504 -1.314 15.397 1.00 0.00 C ATOM 641 C THR A 41 2.759 0.056 15.265 1.00 0.00 C ATOM 642 O THR A 41 1.531 0.115 15.483 1.00 0.00 O ATOM 643 CB THR A 41 4.405 -1.657 14.152 1.00 0.00 C ATOM 644 OG1 THR A 41 4.889 -3.010 14.311 1.00 0.00 O ATOM 645 CG2 THR A 41 5.631 -0.747 14.033 1.00 0.00 C ATOM 0 H THR A 41 2.036 -2.627 14.689 1.00 0.00 H new ATOM 0 HA THR A 41 4.162 -1.239 16.263 1.00 0.00 H new ATOM 0 HB THR A 41 3.794 -1.523 13.259 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.345 -3.293 13.491 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.212 -1.033 13.156 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.307 0.289 13.932 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.248 -0.849 14.926 1.00 0.00 H new ATOM 653 N THR A 42 3.477 1.126 15.000 1.00 0.00 N ATOM 654 CA THR A 42 2.884 2.417 14.783 1.00 0.00 C ATOM 655 C THR A 42 3.000 2.843 13.309 1.00 0.00 C ATOM 656 O THR A 42 3.892 2.384 12.585 1.00 0.00 O ATOM 657 CB THR A 42 3.474 3.465 15.738 1.00 0.00 C ATOM 658 OG1 THR A 42 4.898 3.298 15.821 1.00 0.00 O ATOM 659 CG2 THR A 42 2.858 3.352 17.121 1.00 0.00 C ATOM 0 H THR A 42 4.495 1.119 14.930 1.00 0.00 H new ATOM 0 HA THR A 42 1.820 2.343 15.009 1.00 0.00 H new ATOM 0 HB THR A 42 3.245 4.455 15.345 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.271 3.969 16.430 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.294 4.106 17.776 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.781 3.509 17.054 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.055 2.360 17.527 1.00 0.00 H new ATOM 667 N VAL A 43 2.123 3.747 12.891 1.00 0.00 N ATOM 668 CA VAL A 43 1.974 4.139 11.487 1.00 0.00 C ATOM 669 C VAL A 43 3.256 4.713 10.868 1.00 0.00 C ATOM 670 O VAL A 43 3.644 4.311 9.767 1.00 0.00 O ATOM 671 CB VAL A 43 0.779 5.135 11.301 1.00 0.00 C ATOM 672 CG1 VAL A 43 0.659 5.634 9.861 1.00 0.00 C ATOM 673 CG2 VAL A 43 -0.527 4.480 11.733 1.00 0.00 C ATOM 0 H VAL A 43 1.487 4.236 13.520 1.00 0.00 H new ATOM 0 HA VAL A 43 1.758 3.218 10.946 1.00 0.00 H new ATOM 0 HB VAL A 43 0.981 6.000 11.933 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.183 6.321 9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.576 6.150 9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.499 4.787 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.349 5.183 11.598 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.707 3.592 11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.461 4.195 12.783 1.00 0.00 H new ATOM 683 N ASP A 44 3.907 5.605 11.564 1.00 0.00 N ATOM 684 CA ASP A 44 5.089 6.268 11.030 1.00 0.00 C ATOM 685 C ASP A 44 6.292 5.335 10.973 1.00 0.00 C ATOM 686 O ASP A 44 7.085 5.376 10.025 1.00 0.00 O ATOM 687 CB ASP A 44 5.414 7.520 11.838 1.00 0.00 C ATOM 688 CG ASP A 44 6.586 8.289 11.285 1.00 0.00 C ATOM 689 OD1 ASP A 44 6.446 8.889 10.203 1.00 0.00 O ATOM 690 OD2 ASP A 44 7.663 8.319 11.930 1.00 0.00 O ATOM 0 H ASP A 44 3.646 5.897 12.506 1.00 0.00 H new ATOM 0 HA ASP A 44 4.861 6.562 10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.538 8.169 11.860 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.626 7.236 12.869 1.00 0.00 H new ATOM 695 N SER A 45 6.395 4.473 11.953 1.00 0.00 N ATOM 696 CA SER A 45 7.500 3.588 12.083 1.00 0.00 C ATOM 697 C SER A 45 7.308 2.271 11.315 1.00 0.00 C ATOM 698 O SER A 45 8.172 1.386 11.337 1.00 0.00 O ATOM 699 CB SER A 45 7.692 3.325 13.530 1.00 0.00 C ATOM 700 OG SER A 45 7.889 4.537 14.248 1.00 0.00 O ATOM 0 H SER A 45 5.696 4.373 12.689 1.00 0.00 H new ATOM 0 HA SER A 45 8.381 4.057 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.822 2.801 13.926 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.551 2.670 13.673 1.00 0.00 H new ATOM 0 HG SER A 45 8.011 4.337 15.200 1.00 0.00 H new ATOM 706 N MET A 46 6.215 2.140 10.649 1.00 0.00 N ATOM 707 CA MET A 46 5.982 0.967 9.849 1.00 0.00 C ATOM 708 C MET A 46 5.808 1.421 8.403 1.00 0.00 C ATOM 709 O MET A 46 4.823 2.087 8.064 1.00 0.00 O ATOM 710 CB MET A 46 4.753 0.215 10.341 1.00 0.00 C ATOM 711 CG MET A 46 4.654 -1.204 9.822 1.00 0.00 C ATOM 712 SD MET A 46 6.032 -2.217 10.393 1.00 0.00 S ATOM 713 CE MET A 46 5.664 -3.762 9.601 1.00 0.00 C ATOM 0 H MET A 46 5.461 2.826 10.636 1.00 0.00 H new ATOM 0 HA MET A 46 6.825 0.280 9.925 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.765 0.193 11.431 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.860 0.764 10.043 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.714 -1.648 10.151 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.637 -1.193 8.732 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.977 -4.584 10.244 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.591 -3.832 9.420 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.197 -3.820 8.652 1.00 0.00 H new ATOM 723 N ARG A 47 6.733 1.044 7.564 1.00 0.00 N ATOM 724 CA ARG A 47 6.824 1.565 6.204 1.00 0.00 C ATOM 725 C ARG A 47 6.057 0.648 5.245 1.00 0.00 C ATOM 726 O ARG A 47 6.072 -0.573 5.408 1.00 0.00 O ATOM 727 CB ARG A 47 8.301 1.632 5.815 1.00 0.00 C ATOM 728 CG ARG A 47 8.609 2.405 4.552 1.00 0.00 C ATOM 729 CD ARG A 47 8.301 3.876 4.725 1.00 0.00 C ATOM 730 NE ARG A 47 8.698 4.650 3.558 1.00 0.00 N ATOM 731 CZ ARG A 47 8.819 5.980 3.523 1.00 0.00 C ATOM 732 NH1 ARG A 47 8.566 6.710 4.610 1.00 0.00 N ATOM 733 NH2 ARG A 47 9.194 6.565 2.402 1.00 0.00 N ATOM 0 H ARG A 47 7.456 0.362 7.794 1.00 0.00 H new ATOM 0 HA ARG A 47 6.384 2.560 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.855 2.081 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.674 0.615 5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.660 2.278 4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.025 2.003 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.233 4.006 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.818 4.255 5.606 1.00 0.00 H new ATOM 0 HE ARG A 47 8.900 4.137 2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.278 6.253 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.660 7.725 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.388 6.003 1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.290 7.580 2.364 1.00 0.00 H new ATOM 747 N ILE A 48 5.376 1.238 4.260 1.00 0.00 N ATOM 748 CA ILE A 48 4.522 0.482 3.358 1.00 0.00 C ATOM 749 C ILE A 48 5.041 0.525 1.919 1.00 0.00 C ATOM 750 O ILE A 48 5.143 1.600 1.308 1.00 0.00 O ATOM 751 CB ILE A 48 3.069 1.031 3.399 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.483 0.933 4.811 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.181 0.307 2.412 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.403 -0.483 5.367 1.00 0.00 C ATOM 0 H ILE A 48 5.403 2.240 4.071 1.00 0.00 H new ATOM 0 HA ILE A 48 4.532 -0.554 3.696 1.00 0.00 H new ATOM 0 HB ILE A 48 3.110 2.082 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.088 1.540 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.482 1.364 4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.171 0.714 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.574 0.440 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.157 -0.755 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.976 -0.457 6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.772 -1.093 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.403 -0.914 5.409 1.00 0.00 H new ATOM 766 N GLN A 49 5.340 -0.633 1.388 1.00 0.00 N ATOM 767 CA GLN A 49 5.840 -0.776 0.047 1.00 0.00 C ATOM 768 C GLN A 49 4.832 -1.498 -0.820 1.00 0.00 C ATOM 769 O GLN A 49 3.989 -2.231 -0.314 1.00 0.00 O ATOM 770 CB GLN A 49 7.154 -1.522 0.046 1.00 0.00 C ATOM 771 CG GLN A 49 8.214 -0.831 0.853 1.00 0.00 C ATOM 772 CD GLN A 49 9.518 -1.554 0.820 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.781 -2.416 1.645 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.352 -1.194 -0.112 1.00 0.00 N ATOM 0 H GLN A 49 5.241 -1.518 1.885 1.00 0.00 H new ATOM 0 HA GLN A 49 6.005 0.220 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.998 -2.525 0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.502 -1.636 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.354 0.181 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.878 -0.740 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.089 -0.469 -0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.269 -1.637 -0.175 1.00 0.00 H new ATOM 783 N LEU A 50 4.913 -1.283 -2.107 1.00 0.00 N ATOM 784 CA LEU A 50 4.002 -1.904 -3.053 1.00 0.00 C ATOM 785 C LEU A 50 4.808 -2.804 -3.991 1.00 0.00 C ATOM 786 O LEU A 50 5.735 -2.344 -4.677 1.00 0.00 O ATOM 787 CB LEU A 50 3.292 -0.798 -3.884 1.00 0.00 C ATOM 788 CG LEU A 50 1.986 -1.139 -4.672 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.513 0.070 -5.440 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.140 -2.317 -5.610 1.00 0.00 C ATOM 0 H LEU A 50 5.610 -0.674 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 50 3.255 -2.493 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.057 0.020 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.016 -0.416 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 50 1.243 -1.427 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.603 -0.179 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.309 0.885 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.285 0.378 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.196 -2.498 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.917 -2.099 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.418 -3.203 -5.039 1.00 0.00 H new ATOM 802 N PHE A 51 4.464 -4.050 -4.019 1.00 0.00 N ATOM 803 CA PHE A 51 5.062 -4.996 -4.931 1.00 0.00 C ATOM 804 C PHE A 51 3.957 -5.565 -5.783 1.00 0.00 C ATOM 805 O PHE A 51 2.846 -5.779 -5.291 1.00 0.00 O ATOM 806 CB PHE A 51 5.802 -6.118 -4.180 1.00 0.00 C ATOM 807 CG PHE A 51 6.996 -5.647 -3.389 1.00 0.00 C ATOM 808 CD1 PHE A 51 8.235 -5.537 -3.990 1.00 0.00 C ATOM 809 CD2 PHE A 51 6.881 -5.323 -2.055 1.00 0.00 C ATOM 810 CE1 PHE A 51 9.336 -5.110 -3.278 1.00 0.00 C ATOM 811 CE2 PHE A 51 7.981 -4.893 -1.337 1.00 0.00 C ATOM 812 CZ PHE A 51 9.208 -4.789 -1.949 1.00 0.00 C ATOM 0 H PHE A 51 3.754 -4.453 -3.408 1.00 0.00 H new ATOM 0 HA PHE A 51 5.806 -4.493 -5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.103 -6.610 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.130 -6.868 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.343 -5.790 -5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.922 -5.406 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.297 -5.028 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.877 -4.638 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.068 -4.456 -1.387 1.00 0.00 H new ATOM 822 N ASP A 52 4.212 -5.784 -7.044 1.00 0.00 N ATOM 823 CA ASP A 52 3.185 -6.278 -7.905 1.00 0.00 C ATOM 824 C ASP A 52 3.010 -7.774 -7.752 1.00 0.00 C ATOM 825 O ASP A 52 3.608 -8.403 -6.857 1.00 0.00 O ATOM 826 CB ASP A 52 3.435 -5.905 -9.362 1.00 0.00 C ATOM 827 CG ASP A 52 4.682 -6.520 -9.970 1.00 0.00 C ATOM 828 OD1 ASP A 52 4.622 -7.689 -10.410 1.00 0.00 O ATOM 829 OD2 ASP A 52 5.716 -5.851 -10.031 1.00 0.00 O ATOM 0 H ASP A 52 5.116 -5.628 -7.491 1.00 0.00 H new ATOM 0 HA ASP A 52 2.256 -5.797 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.571 -6.209 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.508 -4.820 -9.438 1.00 0.00 H new ATOM 834 N GLY A 53 2.193 -8.332 -8.613 1.00 0.00 N ATOM 835 CA GLY A 53 1.851 -9.748 -8.570 1.00 0.00 C ATOM 836 C GLY A 53 3.043 -10.685 -8.720 1.00 0.00 C ATOM 837 O GLY A 53 2.980 -11.840 -8.293 1.00 0.00 O ATOM 0 H GLY A 53 1.740 -7.820 -9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.353 -9.961 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.134 -9.961 -9.363 1.00 0.00 H new ATOM 841 N ASP A 54 4.114 -10.214 -9.320 1.00 0.00 N ATOM 842 CA ASP A 54 5.290 -11.031 -9.491 1.00 0.00 C ATOM 843 C ASP A 54 6.202 -10.956 -8.304 1.00 0.00 C ATOM 844 O ASP A 54 6.270 -11.898 -7.519 1.00 0.00 O ATOM 845 CB ASP A 54 6.047 -10.691 -10.765 1.00 0.00 C ATOM 846 CG ASP A 54 5.344 -11.149 -12.012 1.00 0.00 C ATOM 847 OD1 ASP A 54 4.445 -10.447 -12.495 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.687 -12.234 -12.533 1.00 0.00 O ATOM 0 H ASP A 54 4.193 -9.269 -9.697 1.00 0.00 H new ATOM 0 HA ASP A 54 4.935 -12.058 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.195 -9.612 -10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.036 -11.147 -10.725 1.00 0.00 H new ATOM 853 N ASP A 55 6.877 -9.825 -8.145 1.00 0.00 N ATOM 854 CA ASP A 55 7.847 -9.631 -7.062 1.00 0.00 C ATOM 855 C ASP A 55 8.423 -8.246 -7.112 1.00 0.00 C ATOM 856 O ASP A 55 8.751 -7.671 -6.086 1.00 0.00 O ATOM 857 CB ASP A 55 9.002 -10.653 -7.125 1.00 0.00 C ATOM 858 CG ASP A 55 10.011 -10.486 -5.993 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.742 -10.960 -4.871 1.00 0.00 O ATOM 860 OD2 ASP A 55 11.090 -9.877 -6.205 1.00 0.00 O ATOM 0 H ASP A 55 6.772 -9.016 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 55 7.306 -9.779 -6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.589 -11.661 -7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.517 -10.552 -8.080 1.00 0.00 H new ATOM 865 N GLN A 56 8.545 -7.729 -8.317 1.00 0.00 N ATOM 866 CA GLN A 56 9.133 -6.424 -8.569 1.00 0.00 C ATOM 867 C GLN A 56 8.483 -5.311 -7.756 1.00 0.00 C ATOM 868 O GLN A 56 7.282 -5.352 -7.425 1.00 0.00 O ATOM 869 CB GLN A 56 9.112 -6.054 -10.063 1.00 0.00 C ATOM 870 CG GLN A 56 9.934 -6.963 -11.003 1.00 0.00 C ATOM 871 CD GLN A 56 9.444 -8.406 -11.086 1.00 0.00 C ATOM 872 OE1 GLN A 56 9.865 -9.265 -10.319 1.00 0.00 O ATOM 873 NE2 GLN A 56 8.565 -8.678 -12.008 1.00 0.00 N ATOM 0 H GLN A 56 8.235 -8.208 -9.163 1.00 0.00 H new ATOM 0 HA GLN A 56 10.170 -6.513 -8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.076 -6.058 -10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.478 -5.033 -10.168 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.923 -6.532 -12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.971 -6.965 -10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.234 -7.941 -12.631 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.207 -9.628 -12.107 1.00 0.00 H new ATOM 882 N LEU A 57 9.282 -4.331 -7.449 1.00 0.00 N ATOM 883 CA LEU A 57 8.858 -3.196 -6.681 1.00 0.00 C ATOM 884 C LEU A 57 8.140 -2.236 -7.593 1.00 0.00 C ATOM 885 O LEU A 57 8.717 -1.734 -8.564 1.00 0.00 O ATOM 886 CB LEU A 57 10.070 -2.505 -6.028 1.00 0.00 C ATOM 887 CG LEU A 57 9.783 -1.257 -5.172 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.903 -1.594 -3.979 1.00 0.00 C ATOM 889 CD2 LEU A 57 11.081 -0.615 -4.713 1.00 0.00 C ATOM 0 H LEU A 57 10.262 -4.297 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 57 8.187 -3.523 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.580 -3.236 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.765 -2.222 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 57 9.242 -0.544 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.720 -0.692 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.954 -1.999 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.404 -2.334 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.858 0.265 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.649 -1.329 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.668 -0.320 -5.583 1.00 0.00 H new ATOM 901 N LYS A 58 6.901 -1.995 -7.300 1.00 0.00 N ATOM 902 CA LYS A 58 6.098 -1.113 -8.102 1.00 0.00 C ATOM 903 C LYS A 58 6.403 0.300 -7.607 1.00 0.00 C ATOM 904 O LYS A 58 6.600 1.226 -8.382 1.00 0.00 O ATOM 905 CB LYS A 58 4.618 -1.456 -7.863 1.00 0.00 C ATOM 906 CG LYS A 58 3.569 -1.156 -8.986 1.00 0.00 C ATOM 907 CD LYS A 58 3.490 0.297 -9.468 1.00 0.00 C ATOM 908 CE LYS A 58 4.589 0.633 -10.458 1.00 0.00 C ATOM 909 NZ LYS A 58 4.522 2.034 -10.910 1.00 0.00 N ATOM 0 H LYS A 58 6.414 -2.401 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 58 6.308 -1.204 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.561 -2.521 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.299 -0.924 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.795 -1.790 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.584 -1.450 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.519 0.472 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.558 0.967 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.559 0.448 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.514 -0.029 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.292 2.218 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.607 2.206 -11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.620 2.668 -10.091 1.00 0.00 H new ATOM 923 N GLY A 59 6.477 0.428 -6.304 1.00 0.00 N ATOM 924 CA GLY A 59 6.770 1.684 -5.700 1.00 0.00 C ATOM 925 C GLY A 59 6.533 1.618 -4.228 1.00 0.00 C ATOM 926 O GLY A 59 6.317 0.535 -3.681 1.00 0.00 O ATOM 0 H GLY A 59 6.335 -0.337 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.807 1.957 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.147 2.462 -6.141 1.00 0.00 H new ATOM 930 N GLU A 60 6.568 2.730 -3.584 1.00 0.00 N ATOM 931 CA GLU A 60 6.343 2.799 -2.194 1.00 0.00 C ATOM 932 C GLU A 60 5.196 3.772 -1.999 1.00 0.00 C ATOM 933 O GLU A 60 5.127 4.787 -2.708 1.00 0.00 O ATOM 934 CB GLU A 60 7.647 3.245 -1.520 1.00 0.00 C ATOM 935 CG GLU A 60 7.632 3.295 -0.014 1.00 0.00 C ATOM 936 CD GLU A 60 9.003 3.582 0.542 1.00 0.00 C ATOM 937 OE1 GLU A 60 9.465 4.744 0.458 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.640 2.658 1.086 1.00 0.00 O ATOM 0 H GLU A 60 6.758 3.632 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 60 6.069 1.845 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.443 2.570 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.905 4.236 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.935 4.064 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.270 2.345 0.379 1.00 0.00 H new ATOM 945 N LEU A 61 4.280 3.464 -1.098 1.00 0.00 N ATOM 946 CA LEU A 61 3.096 4.304 -0.926 1.00 0.00 C ATOM 947 C LEU A 61 3.437 5.593 -0.270 1.00 0.00 C ATOM 948 O LEU A 61 3.652 6.602 -0.937 1.00 0.00 O ATOM 949 CB LEU A 61 1.922 3.574 -0.224 1.00 0.00 C ATOM 950 CG LEU A 61 1.193 2.462 -1.021 1.00 0.00 C ATOM 951 CD1 LEU A 61 2.112 1.319 -1.381 1.00 0.00 C ATOM 952 CD2 LEU A 61 -0.013 1.950 -0.250 1.00 0.00 C ATOM 0 H LEU A 61 4.326 2.653 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 61 2.732 4.534 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.303 3.133 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.183 4.323 0.062 1.00 0.00 H new ATOM 0 HG LEU A 61 0.853 2.911 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.555 0.566 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.932 1.691 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.513 0.874 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.510 1.170 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.313 1.541 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.708 2.771 -0.075 1.00 0.00 H new ATOM 964 N THR A 62 3.448 5.553 1.006 1.00 0.00 N ATOM 965 CA THR A 62 3.944 6.634 1.859 1.00 0.00 C ATOM 966 C THR A 62 2.907 7.795 2.060 1.00 0.00 C ATOM 967 O THR A 62 3.135 8.714 2.842 1.00 0.00 O ATOM 968 CB THR A 62 5.312 7.146 1.302 1.00 0.00 C ATOM 969 OG1 THR A 62 6.185 6.024 1.113 1.00 0.00 O ATOM 970 CG2 THR A 62 5.999 8.124 2.220 1.00 0.00 C ATOM 0 H THR A 62 3.106 4.750 1.534 1.00 0.00 H new ATOM 0 HA THR A 62 4.097 6.229 2.859 1.00 0.00 H new ATOM 0 HB THR A 62 5.099 7.663 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.711 6.153 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.942 8.440 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.359 8.994 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.193 7.647 3.180 1.00 0.00 H new ATOM 978 N ASP A 63 1.757 7.717 1.401 1.00 0.00 N ATOM 979 CA ASP A 63 0.753 8.786 1.531 1.00 0.00 C ATOM 980 C ASP A 63 -0.582 8.221 1.904 1.00 0.00 C ATOM 981 O ASP A 63 -1.092 7.341 1.227 1.00 0.00 O ATOM 982 CB ASP A 63 0.575 9.581 0.230 1.00 0.00 C ATOM 983 CG ASP A 63 1.831 10.239 -0.274 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.135 11.374 0.149 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.525 9.649 -1.114 1.00 0.00 O ATOM 0 H ASP A 63 1.493 6.949 0.784 1.00 0.00 H new ATOM 0 HA ASP A 63 1.123 9.451 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.196 8.911 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.184 10.347 0.388 1.00 0.00 H new ATOM 990 N GLY A 64 -1.158 8.725 2.963 1.00 0.00 N ATOM 991 CA GLY A 64 -2.463 8.258 3.362 1.00 0.00 C ATOM 992 C GLY A 64 -3.439 9.368 3.511 1.00 0.00 C ATOM 993 O GLY A 64 -4.555 9.152 3.972 1.00 0.00 O ATOM 0 H GLY A 64 -0.754 9.448 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.834 7.548 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.381 7.721 4.307 1.00 0.00 H new ATOM 997 N ALA A 65 -3.026 10.568 3.147 1.00 0.00 N ATOM 998 CA ALA A 65 -3.922 11.709 3.138 1.00 0.00 C ATOM 999 C ALA A 65 -4.760 11.653 1.870 1.00 0.00 C ATOM 1000 O ALA A 65 -5.712 12.420 1.684 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.137 13.012 3.215 1.00 0.00 C ATOM 0 H ALA A 65 -2.072 10.778 2.853 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.575 11.673 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.829 13.854 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.553 13.031 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.467 13.084 2.358 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.380 10.740 0.999 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.079 10.470 -0.215 1.00 0.00 C ATOM 1009 C LYS A 66 -5.561 9.026 -0.196 1.00 0.00 C ATOM 1010 O LYS A 66 -5.188 8.256 0.711 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.191 10.751 -1.428 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.832 10.053 -1.396 1.00 0.00 C ATOM 1013 CD LYS A 66 -2.063 10.272 -2.692 1.00 0.00 C ATOM 1014 CE LYS A 66 -1.801 11.746 -2.990 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.219 11.923 -4.337 1.00 0.00 N ATOM 0 H LYS A 66 -3.554 10.157 1.131 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.943 11.130 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.722 10.444 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.031 11.827 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.248 10.430 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.974 8.985 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.111 9.744 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.623 9.834 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.733 12.306 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.123 12.156 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.161 12.937 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.265 11.509 -4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.820 11.448 -5.040 1.00 0.00 H new ATOM 1029 N SER A 67 -6.358 8.647 -1.169 1.00 0.00 N ATOM 1030 CA SER A 67 -6.920 7.344 -1.196 1.00 0.00 C ATOM 1031 C SER A 67 -5.949 6.372 -1.808 1.00 0.00 C ATOM 1032 O SER A 67 -4.990 6.761 -2.498 1.00 0.00 O ATOM 1033 CB SER A 67 -8.177 7.355 -2.040 1.00 0.00 C ATOM 1034 OG SER A 67 -9.002 8.438 -1.698 1.00 0.00 O ATOM 0 H SER A 67 -6.625 9.241 -1.954 1.00 0.00 H new ATOM 0 HA SER A 67 -7.149 7.042 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.910 7.415 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.721 6.421 -1.901 1.00 0.00 H new ATOM 0 HG SER A 67 -9.807 8.426 -2.257 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.221 5.129 -1.586 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.481 4.032 -2.150 1.00 0.00 C ATOM 1042 C LEU A 68 -5.608 4.059 -3.668 1.00 0.00 C ATOM 1043 O LEU A 68 -4.699 3.660 -4.401 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.071 2.755 -1.585 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.980 2.630 -0.061 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.800 1.469 0.448 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.530 2.497 0.381 1.00 0.00 C ATOM 0 H LEU A 68 -6.991 4.831 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.422 4.099 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.119 2.693 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.562 1.904 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.392 3.542 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.713 1.410 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.845 1.615 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.435 0.543 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.487 2.409 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.092 1.608 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.971 3.378 0.066 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.726 4.589 -4.126 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.009 4.687 -5.536 1.00 0.00 C ATOM 1061 C LYS A 69 -6.167 5.800 -6.157 1.00 0.00 C ATOM 1062 O LYS A 69 -5.678 5.661 -7.278 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.513 4.905 -5.762 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.966 4.834 -7.211 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.487 4.884 -7.300 1.00 0.00 C ATOM 1066 CE LYS A 69 -10.978 4.760 -8.735 1.00 0.00 C ATOM 1067 NZ LYS A 69 -10.509 3.513 -9.386 1.00 0.00 N ATOM 0 H LYS A 69 -7.461 4.963 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.740 3.753 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.062 4.158 -5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.787 5.880 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.536 5.663 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.599 3.915 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.912 4.079 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.845 5.821 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.068 4.786 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.633 5.619 -9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.199 3.216 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.588 3.683 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.410 2.764 -8.671 1.00 0.00 H new ATOM 1081 N ASP A 70 -5.970 6.901 -5.408 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.077 7.993 -5.867 1.00 0.00 C ATOM 1083 C ASP A 70 -3.659 7.455 -5.945 1.00 0.00 C ATOM 1084 O ASP A 70 -2.893 7.798 -6.833 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.086 9.167 -4.887 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.333 10.412 -5.411 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -3.092 10.360 -5.600 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -4.968 11.461 -5.599 1.00 0.00 O ATOM 0 H ASP A 70 -6.405 7.061 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.429 8.342 -6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.118 9.441 -4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.636 8.849 -3.947 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.347 6.553 -5.028 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.020 5.930 -4.958 1.00 0.00 C ATOM 1095 C LEU A 71 -1.829 4.941 -6.105 1.00 0.00 C ATOM 1096 O LEU A 71 -0.713 4.491 -6.368 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.846 5.183 -3.625 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.862 6.011 -2.335 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.742 5.099 -1.137 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.720 6.993 -2.342 1.00 0.00 C ATOM 0 H LEU A 71 -3.997 6.229 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.276 6.723 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.637 4.436 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.900 4.643 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.803 6.557 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.754 5.694 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.579 4.401 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.806 4.543 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.738 7.578 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.224 6.453 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.819 7.660 -3.198 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.920 4.610 -6.771 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.873 3.724 -7.906 1.00 0.00 C ATOM 1114 C GLY A 72 -2.803 2.284 -7.492 1.00 0.00 C ATOM 1115 O GLY A 72 -2.499 1.410 -8.307 1.00 0.00 O ATOM 0 H GLY A 72 -3.854 4.948 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.756 3.881 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.006 3.967 -8.520 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.097 2.026 -6.246 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.028 0.692 -5.722 1.00 0.00 C ATOM 1121 C VAL A 73 -4.368 0.019 -5.946 1.00 0.00 C ATOM 1122 O VAL A 73 -5.376 0.421 -5.375 1.00 0.00 O ATOM 1123 CB VAL A 73 -2.698 0.689 -4.210 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.446 -0.725 -3.725 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.497 1.570 -3.917 1.00 0.00 C ATOM 0 H VAL A 73 -3.389 2.732 -5.570 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.231 0.155 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.557 1.093 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.215 -0.709 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.336 -1.332 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.606 -1.153 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.285 1.552 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.631 1.199 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.712 2.593 -4.227 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.380 -0.962 -6.809 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.595 -1.669 -7.138 1.00 0.00 C ATOM 1137 C ARG A 74 -5.432 -3.152 -6.885 1.00 0.00 C ATOM 1138 O ARG A 74 -4.443 -3.581 -6.278 1.00 0.00 O ATOM 1139 CB ARG A 74 -6.006 -1.412 -8.586 1.00 0.00 C ATOM 1140 CG ARG A 74 -6.339 0.035 -8.884 1.00 0.00 C ATOM 1141 CD ARG A 74 -6.835 0.203 -10.301 1.00 0.00 C ATOM 1142 NE ARG A 74 -8.023 -0.617 -10.570 1.00 0.00 N ATOM 1143 CZ ARG A 74 -9.166 -0.171 -11.094 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -9.327 1.120 -11.358 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -10.153 -1.015 -11.347 1.00 0.00 N ATOM 0 H ARG A 74 -3.552 -1.295 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.389 -1.293 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.198 -1.731 -9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.873 -2.030 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.099 0.387 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.455 0.653 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.071 1.252 -10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.042 -0.069 -10.997 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.970 -1.609 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.574 1.779 -11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.204 1.453 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.040 -2.008 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.026 -0.673 -11.748 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.393 -3.929 -7.331 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.399 -5.364 -7.102 1.00 0.00 C ATOM 1161 C ASP A 75 -5.225 -6.042 -7.716 1.00 0.00 C ATOM 1162 O ASP A 75 -4.704 -5.634 -8.767 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.682 -6.012 -7.595 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.896 -5.815 -9.071 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.396 -4.758 -9.468 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.547 -6.708 -9.855 1.00 0.00 O ATOM 0 H ASP A 75 -7.194 -3.588 -7.863 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.337 -5.491 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.654 -7.079 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.529 -5.595 -7.049 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.789 -7.047 -7.038 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.676 -7.838 -7.493 1.00 0.00 C ATOM 1173 C GLY A 76 -2.340 -7.248 -7.115 1.00 0.00 C ATOM 1174 O GLY A 76 -1.292 -7.865 -7.338 1.00 0.00 O ATOM 0 H GLY A 76 -5.188 -7.352 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.755 -8.841 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.729 -7.940 -8.577 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.357 -6.059 -6.564 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.154 -5.449 -6.092 1.00 0.00 C ATOM 1180 C TYR A 77 -0.949 -5.862 -4.666 1.00 0.00 C ATOM 1181 O TYR A 77 -1.914 -6.089 -3.931 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.172 -3.928 -6.234 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.143 -3.419 -7.672 1.00 0.00 C ATOM 1184 CD1 TYR A 77 0.056 -3.299 -8.367 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -2.302 -3.033 -8.314 1.00 0.00 C ATOM 1186 CE1 TYR A 77 0.084 -2.808 -9.660 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -2.285 -2.552 -9.602 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.093 -2.438 -10.271 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.078 -1.937 -11.551 1.00 0.00 O ATOM 0 H TYR A 77 -3.199 -5.498 -6.434 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.321 -5.790 -6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.066 -3.542 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.315 -3.517 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.979 -3.594 -7.890 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.245 -3.111 -7.792 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.022 -2.716 -10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.207 -2.265 -10.085 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.993 -1.727 -11.831 1.00 0.00 H new ATOM 1199 N ARG A 78 0.272 -5.996 -4.275 1.00 0.00 N ATOM 1200 CA ARG A 78 0.565 -6.497 -2.979 1.00 0.00 C ATOM 1201 C ARG A 78 1.225 -5.450 -2.128 1.00 0.00 C ATOM 1202 O ARG A 78 2.123 -4.729 -2.579 1.00 0.00 O ATOM 1203 CB ARG A 78 1.407 -7.756 -3.096 1.00 0.00 C ATOM 1204 CG ARG A 78 0.718 -8.824 -3.926 1.00 0.00 C ATOM 1205 CD ARG A 78 1.503 -10.102 -3.969 1.00 0.00 C ATOM 1206 NE ARG A 78 2.786 -9.943 -4.623 1.00 0.00 N ATOM 1207 CZ ARG A 78 3.779 -10.820 -4.539 1.00 0.00 C ATOM 1208 NH1 ARG A 78 3.679 -11.881 -3.732 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.875 -10.623 -5.240 1.00 0.00 N ATOM 0 H ARG A 78 1.088 -5.763 -4.840 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.367 -6.759 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.368 -7.509 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.614 -8.148 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.271 -9.021 -3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.572 -8.455 -4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.659 -10.463 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.924 -10.863 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 78 2.936 -9.104 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.836 -12.021 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.446 -12.551 -3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.956 -9.803 -5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.644 -11.291 -5.183 1.00 0.00 H new ATOM 1223 N ILE A 79 0.783 -5.363 -0.912 1.00 0.00 N ATOM 1224 CA ILE A 79 1.266 -4.377 -0.001 1.00 0.00 C ATOM 1225 C ILE A 79 2.180 -5.013 1.015 1.00 0.00 C ATOM 1226 O ILE A 79 1.854 -6.023 1.628 1.00 0.00 O ATOM 1227 CB ILE A 79 0.107 -3.600 0.676 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.692 -2.812 -0.377 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.616 -2.676 1.769 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.128 -1.790 -1.144 1.00 0.00 C ATOM 0 H ILE A 79 0.071 -5.980 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 79 1.841 -3.644 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.554 -4.327 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.130 -3.515 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.518 -2.301 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.224 -2.149 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.128 -3.262 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.310 -1.953 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.510 -1.279 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.545 -1.062 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.939 -2.294 -1.670 1.00 0.00 H new ATOM 1242 N HIS A 80 3.311 -4.430 1.161 1.00 0.00 N ATOM 1243 CA HIS A 80 4.331 -4.913 2.019 1.00 0.00 C ATOM 1244 C HIS A 80 4.604 -3.928 3.137 1.00 0.00 C ATOM 1245 O HIS A 80 4.786 -2.750 2.896 1.00 0.00 O ATOM 1246 CB HIS A 80 5.588 -5.132 1.184 1.00 0.00 C ATOM 1247 CG HIS A 80 6.780 -5.539 1.961 1.00 0.00 C ATOM 1248 ND1 HIS A 80 6.987 -6.817 2.370 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.821 -4.811 2.418 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.098 -6.885 3.057 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.637 -5.678 3.105 1.00 0.00 N ATOM 0 H HIS A 80 3.563 -3.572 0.670 1.00 0.00 H new ATOM 0 HA HIS A 80 4.016 -5.850 2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.382 -5.895 0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.817 -4.211 0.648 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.981 -3.753 2.272 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.507 -7.777 3.509 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.510 -5.432 3.572 1.00 0.00 H new ATOM 1260 N ALA A 81 4.643 -4.416 4.333 1.00 0.00 N ATOM 1261 CA ALA A 81 4.959 -3.605 5.467 1.00 0.00 C ATOM 1262 C ALA A 81 6.333 -3.997 6.006 1.00 0.00 C ATOM 1263 O ALA A 81 6.674 -5.185 6.056 1.00 0.00 O ATOM 1264 CB ALA A 81 3.878 -3.750 6.529 1.00 0.00 C ATOM 0 H ALA A 81 4.456 -5.394 4.554 1.00 0.00 H new ATOM 0 HA ALA A 81 4.995 -2.556 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.127 -3.129 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.919 -3.433 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.812 -4.792 6.841 1.00 0.00 H new ATOM 1270 N VAL A 82 7.118 -3.022 6.371 1.00 0.00 N ATOM 1271 CA VAL A 82 8.439 -3.260 6.893 1.00 0.00 C ATOM 1272 C VAL A 82 8.687 -2.319 8.074 1.00 0.00 C ATOM 1273 O VAL A 82 8.262 -1.157 8.049 1.00 0.00 O ATOM 1274 CB VAL A 82 9.526 -3.089 5.779 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.591 -1.672 5.235 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.892 -3.568 6.241 1.00 0.00 C ATOM 0 H VAL A 82 6.861 -2.036 6.316 1.00 0.00 H new ATOM 0 HA VAL A 82 8.510 -4.290 7.243 1.00 0.00 H new ATOM 0 HB VAL A 82 9.215 -3.728 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.361 -1.612 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.627 -1.403 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.832 -0.982 6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.616 -3.431 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.204 -2.992 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.837 -4.624 6.504 1.00 0.00 H new ATOM 1286 N ASP A 83 9.317 -2.827 9.098 1.00 0.00 N ATOM 1287 CA ASP A 83 9.557 -2.060 10.315 1.00 0.00 C ATOM 1288 C ASP A 83 10.724 -1.119 10.162 1.00 0.00 C ATOM 1289 O ASP A 83 11.838 -1.528 9.837 1.00 0.00 O ATOM 1290 CB ASP A 83 9.808 -2.977 11.516 1.00 0.00 C ATOM 1291 CG ASP A 83 10.103 -2.201 12.794 1.00 0.00 C ATOM 1292 OD1 ASP A 83 11.271 -1.812 13.022 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.177 -1.968 13.592 1.00 0.00 O ATOM 0 H ASP A 83 9.682 -3.779 9.124 1.00 0.00 H new ATOM 0 HA ASP A 83 8.654 -1.476 10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.935 -3.611 11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.646 -3.638 11.295 1.00 0.00 H new ATOM 1298 N VAL A 84 10.482 0.126 10.411 1.00 0.00 N ATOM 1299 CA VAL A 84 11.525 1.094 10.368 1.00 0.00 C ATOM 1300 C VAL A 84 11.699 1.689 11.768 1.00 0.00 C ATOM 1301 O VAL A 84 12.409 2.672 11.984 1.00 0.00 O ATOM 1302 CB VAL A 84 11.274 2.182 9.273 1.00 0.00 C ATOM 1303 CG1 VAL A 84 10.073 3.057 9.560 1.00 0.00 C ATOM 1304 CG2 VAL A 84 12.507 3.009 9.005 1.00 0.00 C ATOM 0 H VAL A 84 9.562 0.498 10.648 1.00 0.00 H new ATOM 0 HA VAL A 84 12.457 0.610 10.076 1.00 0.00 H new ATOM 0 HB VAL A 84 11.038 1.631 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.957 3.789 8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.178 2.438 9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.218 3.575 10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.287 3.752 8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.813 3.513 9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.313 2.360 8.661 1.00 0.00 H new ATOM 1314 N THR A 85 11.087 1.025 12.735 1.00 0.00 N ATOM 1315 CA THR A 85 11.162 1.459 14.115 1.00 0.00 C ATOM 1316 C THR A 85 12.530 1.071 14.658 1.00 0.00 C ATOM 1317 O THR A 85 13.141 1.792 15.443 1.00 0.00 O ATOM 1318 CB THR A 85 10.106 0.726 14.963 1.00 0.00 C ATOM 1319 OG1 THR A 85 8.869 0.662 14.252 1.00 0.00 O ATOM 1320 CG2 THR A 85 9.880 1.440 16.288 1.00 0.00 C ATOM 0 H THR A 85 10.532 0.182 12.586 1.00 0.00 H new ATOM 0 HA THR A 85 10.994 2.535 14.162 1.00 0.00 H new ATOM 0 HB THR A 85 10.474 -0.281 15.162 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.744 -0.242 13.894 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.130 0.902 16.868 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.815 1.474 16.847 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.533 2.456 16.099 1.00 0.00 H new