USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 528 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 NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 15 HIS : no HE2:sc= -5.65! C(o=-5.7!,f=-11!) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 68 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 48:sc= 0.5 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-0.93) USER MOD Single : A 26 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.004) USER MOD Single : A 27 GLN :FLIP amide:sc= -7.67! C(o=-8.6!,f=-7.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 90:sc= 0.142 USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= -0.215 (180deg=-0.891) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 161:sc= -0.0274 (180deg=-0.531) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.7!) USER MOD Single : A 71 SER OG : rot 57:sc= 0.765 USER MOD Single : A 74 SER OG : rot -17:sc= 0.463 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.112 -17.817 14.685 1.00 0.00 N ATOM 2 CA GLY A 1 22.684 -16.774 13.772 1.00 0.00 C ATOM 3 C GLY A 1 22.236 -15.519 14.495 1.00 0.00 C ATOM 4 O GLY A 1 22.988 -14.947 15.284 1.00 0.00 O ATOM 0 H1 GLY A 1 23.408 -18.653 14.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.911 -17.473 15.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.324 -18.073 15.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.503 -16.528 13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.865 -17.147 13.157 1.00 0.00 H new ATOM 8 N SER A 2 21.008 -15.088 14.224 1.00 0.00 N ATOM 9 CA SER A 2 20.463 -13.890 14.851 1.00 0.00 C ATOM 10 C SER A 2 18.980 -13.735 14.529 1.00 0.00 C ATOM 11 O SER A 2 18.580 -13.757 13.365 1.00 0.00 O ATOM 12 CB SER A 2 21.229 -12.651 14.383 1.00 0.00 C ATOM 13 OG SER A 2 20.548 -11.462 14.747 1.00 0.00 O ATOM 0 H SER A 2 20.372 -15.551 13.575 1.00 0.00 H new ATOM 0 HA SER A 2 20.574 -13.992 15.930 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.227 -12.650 14.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.355 -12.685 13.301 1.00 0.00 H new ATOM 0 HG SER A 2 21.059 -10.685 14.438 1.00 0.00 H new ATOM 19 N SER A 3 18.168 -13.580 15.570 1.00 0.00 N ATOM 20 CA SER A 3 16.728 -13.426 15.400 1.00 0.00 C ATOM 21 C SER A 3 16.406 -12.151 14.627 1.00 0.00 C ATOM 22 O SER A 3 16.249 -11.080 15.211 1.00 0.00 O ATOM 23 CB SER A 3 16.033 -13.399 16.763 1.00 0.00 C ATOM 24 OG SER A 3 16.602 -12.413 17.606 1.00 0.00 O ATOM 0 H SER A 3 18.483 -13.558 16.540 1.00 0.00 H new ATOM 0 HA SER A 3 16.361 -14.279 14.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.970 -13.198 16.629 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.115 -14.378 17.236 1.00 0.00 H new ATOM 0 HG SER A 3 16.687 -11.570 17.113 1.00 0.00 H new ATOM 30 N GLY A 4 16.308 -12.276 13.306 1.00 0.00 N ATOM 31 CA GLY A 4 16.005 -11.128 12.473 1.00 0.00 C ATOM 32 C GLY A 4 14.617 -10.576 12.728 1.00 0.00 C ATOM 33 O GLY A 4 13.629 -11.308 12.666 1.00 0.00 O ATOM 0 H GLY A 4 16.433 -13.152 12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.742 -10.346 12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.093 -11.411 11.424 1.00 0.00 H new ATOM 37 N SER A 5 14.540 -9.281 13.019 1.00 0.00 N ATOM 38 CA SER A 5 13.263 -8.632 13.291 1.00 0.00 C ATOM 39 C SER A 5 12.499 -8.373 11.996 1.00 0.00 C ATOM 40 O SER A 5 13.065 -8.440 10.905 1.00 0.00 O ATOM 41 CB SER A 5 13.484 -7.316 14.039 1.00 0.00 C ATOM 42 OG SER A 5 14.087 -7.542 15.301 1.00 0.00 O ATOM 0 H SER A 5 15.348 -8.660 13.072 1.00 0.00 H new ATOM 0 HA SER A 5 12.670 -9.300 13.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.116 -6.657 13.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.530 -6.806 14.174 1.00 0.00 H new ATOM 0 HG SER A 5 14.219 -6.685 15.758 1.00 0.00 H new ATOM 48 N SER A 6 11.210 -8.076 12.126 1.00 0.00 N ATOM 49 CA SER A 6 10.366 -7.810 10.967 1.00 0.00 C ATOM 50 C SER A 6 10.185 -6.309 10.760 1.00 0.00 C ATOM 51 O SER A 6 10.149 -5.539 11.719 1.00 0.00 O ATOM 52 CB SER A 6 9.002 -8.481 11.138 1.00 0.00 C ATOM 53 OG SER A 6 9.044 -9.836 10.724 1.00 0.00 O ATOM 0 H SER A 6 10.727 -8.014 13.022 1.00 0.00 H new ATOM 0 HA SER A 6 10.859 -8.224 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.695 -8.426 12.182 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.253 -7.943 10.557 1.00 0.00 H new ATOM 0 HG SER A 6 8.161 -10.243 10.845 1.00 0.00 H new ATOM 59 N GLY A 7 10.071 -5.901 9.500 1.00 0.00 N ATOM 60 CA GLY A 7 9.896 -4.495 9.188 1.00 0.00 C ATOM 61 C GLY A 7 8.436 -4.111 9.041 1.00 0.00 C ATOM 62 O GLY A 7 8.033 -3.558 8.019 1.00 0.00 O ATOM 0 H GLY A 7 10.097 -6.520 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.350 -3.892 9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.425 -4.263 8.263 1.00 0.00 H new ATOM 66 N SER A 8 7.643 -4.407 10.066 1.00 0.00 N ATOM 67 CA SER A 8 6.218 -4.094 10.044 1.00 0.00 C ATOM 68 C SER A 8 5.967 -2.670 10.530 1.00 0.00 C ATOM 69 O SER A 8 4.968 -2.397 11.194 1.00 0.00 O ATOM 70 CB SER A 8 5.444 -5.086 10.914 1.00 0.00 C ATOM 71 OG SER A 8 5.972 -5.132 12.228 1.00 0.00 O ATOM 0 H SER A 8 7.962 -4.862 10.921 1.00 0.00 H new ATOM 0 HA SER A 8 5.869 -4.174 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.393 -4.799 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.488 -6.079 10.466 1.00 0.00 H new ATOM 0 HG SER A 8 5.459 -5.772 12.764 1.00 0.00 H new ATOM 77 N GLU A 9 6.883 -1.767 10.193 1.00 0.00 N ATOM 78 CA GLU A 9 6.761 -0.371 10.596 1.00 0.00 C ATOM 79 C GLU A 9 5.840 0.391 9.647 1.00 0.00 C ATOM 80 O GLU A 9 5.072 1.255 10.071 1.00 0.00 O ATOM 81 CB GLU A 9 8.138 0.295 10.631 1.00 0.00 C ATOM 82 CG GLU A 9 8.171 1.584 11.435 1.00 0.00 C ATOM 83 CD GLU A 9 9.579 2.112 11.633 1.00 0.00 C ATOM 84 OE1 GLU A 9 10.341 2.157 10.645 1.00 0.00 O ATOM 85 OE2 GLU A 9 9.917 2.481 12.777 1.00 0.00 O ATOM 0 H GLU A 9 7.716 -1.977 9.643 1.00 0.00 H new ATOM 0 HA GLU A 9 6.327 -0.345 11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.860 -0.405 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.456 0.505 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.572 2.340 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.711 1.413 12.408 1.00 0.00 H new ATOM 92 N ALA A 10 5.923 0.064 8.362 1.00 0.00 N ATOM 93 CA ALA A 10 5.097 0.716 7.353 1.00 0.00 C ATOM 94 C ALA A 10 3.623 0.678 7.743 1.00 0.00 C ATOM 95 O ALA A 10 2.857 1.577 7.396 1.00 0.00 O ATOM 96 CB ALA A 10 5.303 0.058 5.997 1.00 0.00 C ATOM 0 H ALA A 10 6.554 -0.649 7.995 1.00 0.00 H new ATOM 0 HA ALA A 10 5.402 1.760 7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.680 0.555 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.351 0.142 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.026 -0.995 6.057 1.00 0.00 H new ATOM 102 N TRP A 11 3.233 -0.367 8.464 1.00 0.00 N ATOM 103 CA TRP A 11 1.850 -0.521 8.900 1.00 0.00 C ATOM 104 C TRP A 11 1.370 0.723 9.640 1.00 0.00 C ATOM 105 O TRP A 11 0.183 1.046 9.623 1.00 0.00 O ATOM 106 CB TRP A 11 1.711 -1.750 9.799 1.00 0.00 C ATOM 107 CG TRP A 11 1.445 -3.015 9.040 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.247 -4.118 8.978 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.297 -3.305 8.234 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.668 -5.076 8.181 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.471 -4.602 7.714 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.860 -2.595 7.903 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.470 -5.201 6.880 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.793 -3.191 7.075 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.594 -4.484 6.572 1.00 0.00 C ATOM 0 H TRP A 11 3.855 -1.120 8.759 1.00 0.00 H new ATOM 0 HA TRP A 11 1.229 -0.656 8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.624 -1.870 10.382 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.900 -1.583 10.508 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.197 -4.222 9.481 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.065 -5.992 7.971 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.022 -1.599 8.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.318 -6.197 6.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.690 -2.651 6.811 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.342 -4.923 5.929 1.00 0.00 H new ATOM 126 N GLU A 12 2.301 1.416 10.289 1.00 0.00 N ATOM 127 CA GLU A 12 1.971 2.624 11.035 1.00 0.00 C ATOM 128 C GLU A 12 1.318 3.663 10.128 1.00 0.00 C ATOM 129 O GLU A 12 0.661 4.590 10.601 1.00 0.00 O ATOM 130 CB GLU A 12 3.228 3.211 11.680 1.00 0.00 C ATOM 131 CG GLU A 12 3.895 2.277 12.676 1.00 0.00 C ATOM 132 CD GLU A 12 3.200 2.269 14.024 1.00 0.00 C ATOM 133 OE1 GLU A 12 2.720 3.341 14.450 1.00 0.00 O ATOM 134 OE2 GLU A 12 3.136 1.192 14.653 1.00 0.00 O ATOM 0 H GLU A 12 3.288 1.161 10.313 1.00 0.00 H new ATOM 0 HA GLU A 12 1.262 2.354 11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.943 3.464 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.966 4.141 12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.904 1.265 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.935 2.576 12.809 1.00 0.00 H new ATOM 141 N TYR A 13 1.506 3.501 8.823 1.00 0.00 N ATOM 142 CA TYR A 13 0.939 4.426 7.849 1.00 0.00 C ATOM 143 C TYR A 13 -0.253 3.799 7.132 1.00 0.00 C ATOM 144 O TYR A 13 -0.662 4.257 6.065 1.00 0.00 O ATOM 145 CB TYR A 13 2.001 4.840 6.829 1.00 0.00 C ATOM 146 CG TYR A 13 3.266 5.379 7.458 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.294 4.525 7.839 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.434 6.742 7.670 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.451 5.013 8.415 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.588 7.239 8.244 1.00 0.00 C ATOM 151 CZ TYR A 13 5.594 6.371 8.615 1.00 0.00 C ATOM 152 OH TYR A 13 6.746 6.861 9.186 1.00 0.00 O ATOM 0 H TYR A 13 2.046 2.738 8.415 1.00 0.00 H new ATOM 0 HA TYR A 13 0.594 5.311 8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.252 3.980 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.582 5.599 6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.187 3.462 7.682 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.649 7.425 7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.239 4.335 8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.702 8.301 8.401 1.00 0.00 H new ATOM 0 HH TYR A 13 6.687 7.837 9.255 1.00 0.00 H new ATOM 162 N PHE A 14 -0.806 2.747 7.727 1.00 0.00 N ATOM 163 CA PHE A 14 -1.951 2.055 7.146 1.00 0.00 C ATOM 164 C PHE A 14 -2.812 1.420 8.234 1.00 0.00 C ATOM 165 O PHE A 14 -2.349 1.189 9.352 1.00 0.00 O ATOM 166 CB PHE A 14 -1.481 0.983 6.161 1.00 0.00 C ATOM 167 CG PHE A 14 -0.688 1.533 5.010 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.618 1.959 5.191 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.250 1.626 3.747 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.350 2.465 4.134 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.523 2.131 2.685 1.00 0.00 C ATOM 172 CZ PHE A 14 0.778 2.552 2.879 1.00 0.00 C ATOM 0 H PHE A 14 -0.480 2.355 8.611 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.554 2.789 6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.873 0.252 6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.350 0.452 5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.069 1.895 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.268 1.300 3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.368 2.792 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.972 2.196 1.705 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.347 2.949 2.051 1.00 0.00 H new ATOM 182 N HIS A 15 -4.067 1.140 7.900 1.00 0.00 N ATOM 183 CA HIS A 15 -4.994 0.530 8.848 1.00 0.00 C ATOM 184 C HIS A 15 -5.927 -0.449 8.142 1.00 0.00 C ATOM 185 O HIS A 15 -6.568 -0.105 7.148 1.00 0.00 O ATOM 186 CB HIS A 15 -5.810 1.609 9.560 1.00 0.00 C ATOM 187 CG HIS A 15 -7.113 1.916 8.887 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.127 0.992 8.751 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.564 3.055 8.310 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.145 1.548 8.120 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.829 2.800 7.841 1.00 0.00 N ATOM 0 H HIS A 15 -4.466 1.325 6.980 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.411 -0.021 9.587 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.006 1.289 10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.217 2.522 9.619 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.096 0.029 9.086 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.029 3.990 8.233 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.077 1.062 7.874 1.00 0.00 H new ATOM 199 N LEU A 16 -5.999 -1.669 8.662 1.00 0.00 N ATOM 200 CA LEU A 16 -6.854 -2.698 8.082 1.00 0.00 C ATOM 201 C LEU A 16 -8.327 -2.325 8.220 1.00 0.00 C ATOM 202 O LEU A 16 -8.734 -1.721 9.212 1.00 0.00 O ATOM 203 CB LEU A 16 -6.593 -4.046 8.757 1.00 0.00 C ATOM 204 CG LEU A 16 -5.229 -4.681 8.481 1.00 0.00 C ATOM 205 CD1 LEU A 16 -5.032 -5.917 9.346 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.093 -5.032 7.007 1.00 0.00 C ATOM 0 H LEU A 16 -5.476 -1.970 9.484 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.616 -2.777 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.701 -3.917 9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.368 -4.744 8.440 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.454 -3.958 8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.057 -6.356 9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.086 -5.637 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.813 -6.645 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.117 -5.483 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.875 -5.738 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.190 -4.127 6.407 1.00 0.00 H new ATOM 218 N ALA A 17 -9.121 -2.691 7.220 1.00 0.00 N ATOM 219 CA ALA A 17 -10.549 -2.398 7.231 1.00 0.00 C ATOM 220 C ALA A 17 -11.340 -3.549 7.844 1.00 0.00 C ATOM 221 O ALA A 17 -10.878 -4.688 7.905 1.00 0.00 O ATOM 222 CB ALA A 17 -11.040 -2.110 5.820 1.00 0.00 C ATOM 0 H ALA A 17 -8.800 -3.191 6.391 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.709 -1.513 7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.108 -1.893 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.504 -1.251 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.860 -2.979 5.188 1.00 0.00 H new ATOM 228 N PRO A 18 -12.561 -3.247 8.309 1.00 0.00 N ATOM 229 CA PRO A 18 -13.442 -4.243 8.926 1.00 0.00 C ATOM 230 C PRO A 18 -13.971 -5.255 7.914 1.00 0.00 C ATOM 231 O PRO A 18 -14.235 -4.914 6.762 1.00 0.00 O ATOM 232 CB PRO A 18 -14.590 -3.401 9.490 1.00 0.00 C ATOM 233 CG PRO A 18 -14.607 -2.173 8.648 1.00 0.00 C ATOM 234 CD PRO A 18 -13.176 -1.909 8.269 1.00 0.00 C ATOM 0 HA PRO A 18 -12.922 -4.837 9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.539 -3.935 9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.425 -3.159 10.540 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.225 -2.316 7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.027 -1.330 9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.099 -1.460 7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.695 -1.224 8.967 1.00 0.00 H new ATOM 242 N ALA A 19 -14.124 -6.499 8.354 1.00 0.00 N ATOM 243 CA ALA A 19 -14.623 -7.560 7.487 1.00 0.00 C ATOM 244 C ALA A 19 -15.894 -8.181 8.057 1.00 0.00 C ATOM 245 O ALA A 19 -16.242 -7.954 9.216 1.00 0.00 O ATOM 246 CB ALA A 19 -13.556 -8.625 7.288 1.00 0.00 C ATOM 0 H ALA A 19 -13.910 -6.797 9.306 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.866 -7.121 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.943 -9.411 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.675 -8.176 6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.285 -9.053 8.253 1.00 0.00 H new ATOM 252 N ARG A 20 -16.583 -8.966 7.235 1.00 0.00 N ATOM 253 CA ARG A 20 -17.817 -9.619 7.657 1.00 0.00 C ATOM 254 C ARG A 20 -17.574 -11.095 7.960 1.00 0.00 C ATOM 255 O ARG A 20 -16.690 -11.721 7.377 1.00 0.00 O ATOM 256 CB ARG A 20 -18.889 -9.478 6.576 1.00 0.00 C ATOM 257 CG ARG A 20 -18.478 -10.056 5.231 1.00 0.00 C ATOM 258 CD ARG A 20 -19.535 -9.800 4.168 1.00 0.00 C ATOM 259 NE ARG A 20 -20.556 -10.843 4.149 1.00 0.00 N ATOM 260 CZ ARG A 20 -21.772 -10.672 3.642 1.00 0.00 C ATOM 261 NH1 ARG A 20 -22.116 -9.506 3.114 1.00 0.00 N ATOM 262 NH2 ARG A 20 -22.647 -11.670 3.661 1.00 0.00 N ATOM 0 H ARG A 20 -16.308 -9.165 6.273 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.164 -9.131 8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.799 -9.974 6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.129 -8.422 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.532 -9.615 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.312 -11.129 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.007 -8.834 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.058 -9.742 3.190 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.323 -11.753 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.446 -8.737 3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.050 -9.378 2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.386 -12.569 4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.580 -11.537 3.271 1.00 0.00 H new ATOM 276 N ALA A 21 -18.367 -11.643 8.875 1.00 0.00 N ATOM 277 CA ALA A 21 -18.240 -13.045 9.253 1.00 0.00 C ATOM 278 C ALA A 21 -17.820 -13.900 8.062 1.00 0.00 C ATOM 279 O ALA A 21 -18.618 -14.164 7.164 1.00 0.00 O ATOM 280 CB ALA A 21 -19.549 -13.555 9.836 1.00 0.00 C ATOM 0 H ALA A 21 -19.103 -11.138 9.368 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.462 -13.121 10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.440 -14.603 10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.806 -12.970 10.719 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -20.341 -13.457 9.093 1.00 0.00 H new ATOM 286 N GLY A 22 -16.561 -14.329 8.061 1.00 0.00 N ATOM 287 CA GLY A 22 -16.058 -15.148 6.974 1.00 0.00 C ATOM 288 C GLY A 22 -14.657 -14.754 6.552 1.00 0.00 C ATOM 289 O GLY A 22 -13.692 -15.466 6.835 1.00 0.00 O ATOM 0 H GLY A 22 -15.881 -14.124 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.061 -16.194 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.729 -15.064 6.119 1.00 0.00 H new ATOM 293 N HIS A 23 -14.543 -13.618 5.872 1.00 0.00 N ATOM 294 CA HIS A 23 -13.248 -13.131 5.408 1.00 0.00 C ATOM 295 C HIS A 23 -12.526 -12.370 6.516 1.00 0.00 C ATOM 296 O HIS A 23 -13.147 -11.641 7.290 1.00 0.00 O ATOM 297 CB HIS A 23 -13.427 -12.228 4.187 1.00 0.00 C ATOM 298 CG HIS A 23 -14.346 -12.797 3.151 1.00 0.00 C ATOM 299 ND1 HIS A 23 -15.651 -12.379 2.991 1.00 0.00 N ATOM 300 CD2 HIS A 23 -14.144 -13.756 2.218 1.00 0.00 C ATOM 301 CE1 HIS A 23 -16.211 -13.057 2.006 1.00 0.00 C ATOM 302 NE2 HIS A 23 -15.317 -13.899 1.519 1.00 0.00 N ATOM 0 H HIS A 23 -15.331 -13.017 5.630 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.642 -13.993 5.128 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -13.814 -11.262 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.452 -12.045 3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.230 -14.307 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -17.227 -12.943 1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.473 -14.549 0.749 1.00 0.00 H new ATOM 310 N HIS A 24 -11.210 -12.546 6.588 1.00 0.00 N ATOM 311 CA HIS A 24 -10.403 -11.877 7.601 1.00 0.00 C ATOM 312 C HIS A 24 -10.161 -10.418 7.227 1.00 0.00 C ATOM 313 O HIS A 24 -10.258 -10.026 6.064 1.00 0.00 O ATOM 314 CB HIS A 24 -9.066 -12.598 7.778 1.00 0.00 C ATOM 315 CG HIS A 24 -8.487 -13.108 6.494 1.00 0.00 C ATOM 316 ND1 HIS A 24 -7.934 -12.282 5.538 1.00 0.00 N ATOM 317 CD2 HIS A 24 -8.375 -14.368 6.012 1.00 0.00 C ATOM 318 CE1 HIS A 24 -7.508 -13.012 4.522 1.00 0.00 C ATOM 319 NE2 HIS A 24 -7.763 -14.281 4.785 1.00 0.00 N ATOM 0 H HIS A 24 -10.680 -13.147 5.956 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.951 -11.907 8.543 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.354 -11.917 8.243 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.201 -13.434 8.464 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.705 -15.273 6.501 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.032 -12.635 3.629 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.541 -15.069 4.176 1.00 0.00 H new ATOM 327 N PRO A 25 -9.840 -9.593 8.235 1.00 0.00 N ATOM 328 CA PRO A 25 -9.578 -8.164 8.036 1.00 0.00 C ATOM 329 C PRO A 25 -8.275 -7.913 7.285 1.00 0.00 C ATOM 330 O PRO A 25 -7.870 -6.767 7.093 1.00 0.00 O ATOM 331 CB PRO A 25 -9.487 -7.618 9.463 1.00 0.00 C ATOM 332 CG PRO A 25 -9.077 -8.788 10.290 1.00 0.00 C ATOM 333 CD PRO A 25 -9.707 -9.992 9.646 1.00 0.00 C ATOM 0 HA PRO A 25 -10.350 -7.688 7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.759 -6.810 9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.444 -7.215 9.794 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.992 -8.884 10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.415 -8.675 11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.083 -10.879 9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.674 -10.226 10.091 1.00 0.00 H new ATOM 341 N ASN A 26 -7.624 -8.991 6.861 1.00 0.00 N ATOM 342 CA ASN A 26 -6.366 -8.886 6.131 1.00 0.00 C ATOM 343 C ASN A 26 -6.604 -8.953 4.625 1.00 0.00 C ATOM 344 O ASN A 26 -5.889 -9.649 3.905 1.00 0.00 O ATOM 345 CB ASN A 26 -5.410 -10.002 6.557 1.00 0.00 C ATOM 346 CG ASN A 26 -5.378 -10.192 8.062 1.00 0.00 C ATOM 347 OD1 ASN A 26 -5.753 -11.247 8.573 1.00 0.00 O ATOM 348 ND2 ASN A 26 -4.929 -9.168 8.778 1.00 0.00 N ATOM 0 H ASN A 26 -7.947 -9.947 7.010 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.917 -7.922 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.711 -10.936 6.082 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.406 -9.772 6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.885 -9.237 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.628 -8.312 8.311 1.00 0.00 H new ATOM 355 N GLN A 27 -7.614 -8.226 4.158 1.00 0.00 N ATOM 356 CA GLN A 27 -7.946 -8.203 2.739 1.00 0.00 C ATOM 357 C GLN A 27 -7.359 -6.969 2.062 1.00 0.00 C ATOM 358 O GLN A 27 -6.954 -7.019 0.900 1.00 0.00 O ATOM 359 CB GLN A 27 -9.463 -8.231 2.548 1.00 0.00 C ATOM 360 CG GLN A 27 -10.170 -7.006 3.106 1.00 0.00 C ATOM 361 CD GLN A 27 -10.400 -7.097 4.602 1.00 0.00 C ATOM 362 OE1 GLN A 27 -11.261 -8.019 5.014 1.00 0.00 O flip ATOM 363 NE2 GLN A 27 -9.810 -6.345 5.379 1.00 0.00 N flip ATOM 0 H GLN A 27 -8.216 -7.645 4.742 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.512 -9.089 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.685 -8.315 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.865 -9.123 3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.578 -6.118 2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.128 -6.883 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.156 -5.650 5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.975 -6.417 6.383 1.00 0.00 H new ATOM 372 N TYR A 28 -7.317 -5.862 2.795 1.00 0.00 N ATOM 373 CA TYR A 28 -6.783 -4.613 2.265 1.00 0.00 C ATOM 374 C TYR A 28 -6.293 -3.708 3.391 1.00 0.00 C ATOM 375 O TYR A 28 -6.661 -3.889 4.552 1.00 0.00 O ATOM 376 CB TYR A 28 -7.847 -3.888 1.439 1.00 0.00 C ATOM 377 CG TYR A 28 -8.098 -4.519 0.088 1.00 0.00 C ATOM 378 CD1 TYR A 28 -8.994 -5.571 -0.054 1.00 0.00 C ATOM 379 CD2 TYR A 28 -7.440 -4.061 -1.047 1.00 0.00 C ATOM 380 CE1 TYR A 28 -9.226 -6.150 -1.286 1.00 0.00 C ATOM 381 CE2 TYR A 28 -7.667 -4.633 -2.284 1.00 0.00 C ATOM 382 CZ TYR A 28 -8.561 -5.678 -2.398 1.00 0.00 C ATOM 383 OH TYR A 28 -8.790 -6.251 -3.628 1.00 0.00 O ATOM 0 H TYR A 28 -7.647 -5.804 3.759 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.936 -4.854 1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.781 -3.869 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.540 -2.852 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.518 -5.942 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.739 -3.244 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.925 -6.968 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.148 -4.265 -3.156 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.243 -5.801 -4.305 1.00 0.00 H new ATOM 393 N ALA A 29 -5.461 -2.734 3.039 1.00 0.00 N ATOM 394 CA ALA A 29 -4.922 -1.798 4.019 1.00 0.00 C ATOM 395 C ALA A 29 -5.241 -0.357 3.635 1.00 0.00 C ATOM 396 O ALA A 29 -5.097 0.034 2.476 1.00 0.00 O ATOM 397 CB ALA A 29 -3.419 -1.989 4.159 1.00 0.00 C ATOM 0 H ALA A 29 -5.145 -2.572 2.083 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.394 -2.003 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.030 -1.284 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.211 -3.007 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.939 -1.813 3.197 1.00 0.00 H new ATOM 403 N THR A 30 -5.676 0.429 4.614 1.00 0.00 N ATOM 404 CA THR A 30 -6.018 1.826 4.379 1.00 0.00 C ATOM 405 C THR A 30 -4.908 2.752 4.863 1.00 0.00 C ATOM 406 O THR A 30 -4.669 2.875 6.065 1.00 0.00 O ATOM 407 CB THR A 30 -7.334 2.209 5.080 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.333 1.216 4.823 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.826 3.567 4.604 1.00 0.00 C ATOM 0 H THR A 30 -5.800 0.121 5.579 1.00 0.00 H new ATOM 0 HA THR A 30 -6.142 1.944 3.303 1.00 0.00 H new ATOM 0 HB THR A 30 -7.146 2.265 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.166 1.466 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.757 3.816 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.076 4.325 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.998 3.535 3.528 1.00 0.00 H new ATOM 417 N CYS A 31 -4.234 3.404 3.922 1.00 0.00 N ATOM 418 CA CYS A 31 -3.149 4.320 4.253 1.00 0.00 C ATOM 419 C CYS A 31 -3.645 5.445 5.156 1.00 0.00 C ATOM 420 O CYS A 31 -4.608 6.139 4.830 1.00 0.00 O ATOM 421 CB CYS A 31 -2.541 4.906 2.977 1.00 0.00 C ATOM 422 SG CYS A 31 -0.942 5.741 3.230 1.00 0.00 S ATOM 0 H CYS A 31 -4.420 3.315 2.923 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.383 3.759 4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.409 4.105 2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.245 5.617 2.545 1.00 0.00 H new ATOM 427 N ARG A 32 -2.979 5.621 6.293 1.00 0.00 N ATOM 428 CA ARG A 32 -3.351 6.661 7.244 1.00 0.00 C ATOM 429 C ARG A 32 -2.726 7.998 6.860 1.00 0.00 C ATOM 430 O ARG A 32 -2.903 9.001 7.553 1.00 0.00 O ATOM 431 CB ARG A 32 -2.915 6.269 8.657 1.00 0.00 C ATOM 432 CG ARG A 32 -3.465 4.928 9.115 1.00 0.00 C ATOM 433 CD ARG A 32 -2.797 4.461 10.399 1.00 0.00 C ATOM 434 NE ARG A 32 -3.696 3.657 11.222 1.00 0.00 N ATOM 435 CZ ARG A 32 -3.290 2.923 12.252 1.00 0.00 C ATOM 436 NH1 ARG A 32 -2.006 2.892 12.583 1.00 0.00 N ATOM 437 NH2 ARG A 32 -4.168 2.218 12.953 1.00 0.00 N ATOM 0 H ARG A 32 -2.179 5.056 6.578 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.436 6.767 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.826 6.238 8.696 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.237 7.042 9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.541 5.009 9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.312 4.184 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.910 3.877 10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.461 5.327 10.969 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.690 3.659 10.994 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.328 3.433 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.697 2.328 13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.156 2.239 12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.855 1.655 13.744 1.00 0.00 H new ATOM 451 N LEU A 33 -1.995 8.007 5.751 1.00 0.00 N ATOM 452 CA LEU A 33 -1.343 9.221 5.273 1.00 0.00 C ATOM 453 C LEU A 33 -2.219 9.945 4.256 1.00 0.00 C ATOM 454 O LEU A 33 -2.468 11.145 4.378 1.00 0.00 O ATOM 455 CB LEU A 33 0.012 8.884 4.649 1.00 0.00 C ATOM 456 CG LEU A 33 1.091 8.391 5.613 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.326 7.942 4.847 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.449 9.479 6.615 1.00 0.00 C ATOM 0 H LEU A 33 -1.839 7.187 5.165 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.188 9.881 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.142 8.121 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.386 9.772 4.140 1.00 0.00 H new ATOM 0 HG LEU A 33 0.698 7.535 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.083 7.594 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.059 7.130 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.722 8.779 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.219 9.110 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.823 10.354 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.562 9.753 7.187 1.00 0.00 H new ATOM 470 N CYS A 34 -2.684 9.209 3.252 1.00 0.00 N ATOM 471 CA CYS A 34 -3.534 9.779 2.214 1.00 0.00 C ATOM 472 C CYS A 34 -4.909 9.119 2.213 1.00 0.00 C ATOM 473 O CYS A 34 -5.923 9.772 1.971 1.00 0.00 O ATOM 474 CB CYS A 34 -2.877 9.616 0.842 1.00 0.00 C ATOM 475 SG CYS A 34 -2.663 7.883 0.321 1.00 0.00 S ATOM 0 H CYS A 34 -2.486 8.215 3.135 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.661 10.841 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.480 10.136 0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.902 10.102 0.858 1.00 0.00 H new ATOM 480 N GLY A 35 -4.936 7.818 2.487 1.00 0.00 N ATOM 481 CA GLY A 35 -6.191 7.091 2.513 1.00 0.00 C ATOM 482 C GLY A 35 -6.351 6.167 1.322 1.00 0.00 C ATOM 483 O GLY A 35 -7.470 5.838 0.928 1.00 0.00 O ATOM 0 H GLY A 35 -4.110 7.255 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.250 6.508 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.018 7.801 2.532 1.00 0.00 H new ATOM 487 N ARG A 36 -5.229 5.748 0.745 1.00 0.00 N ATOM 488 CA ARG A 36 -5.250 4.859 -0.410 1.00 0.00 C ATOM 489 C ARG A 36 -5.223 3.398 0.028 1.00 0.00 C ATOM 490 O ARG A 36 -4.465 3.022 0.922 1.00 0.00 O ATOM 491 CB ARG A 36 -4.059 5.150 -1.326 1.00 0.00 C ATOM 492 CG ARG A 36 -4.149 6.492 -2.034 1.00 0.00 C ATOM 493 CD ARG A 36 -4.770 6.353 -3.415 1.00 0.00 C ATOM 494 NE ARG A 36 -6.224 6.492 -3.378 1.00 0.00 N ATOM 495 CZ ARG A 36 -7.056 5.470 -3.209 1.00 0.00 C ATOM 496 NH1 ARG A 36 -6.581 4.241 -3.062 1.00 0.00 N ATOM 497 NH2 ARG A 36 -8.366 5.677 -3.187 1.00 0.00 N ATOM 0 H ARG A 36 -4.294 6.010 1.059 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.174 5.039 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.142 5.120 -0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.984 4.359 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.743 7.182 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.153 6.925 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.350 7.109 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.509 5.381 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.622 7.425 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.574 4.078 -3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.222 3.458 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.735 6.621 -3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.004 4.892 -3.057 1.00 0.00 H new ATOM 511 N GLN A 37 -6.054 2.579 -0.608 1.00 0.00 N ATOM 512 CA GLN A 37 -6.126 1.160 -0.283 1.00 0.00 C ATOM 513 C GLN A 37 -4.974 0.395 -0.926 1.00 0.00 C ATOM 514 O GLN A 37 -4.786 0.442 -2.142 1.00 0.00 O ATOM 515 CB GLN A 37 -7.462 0.576 -0.744 1.00 0.00 C ATOM 516 CG GLN A 37 -8.670 1.351 -0.243 1.00 0.00 C ATOM 517 CD GLN A 37 -9.980 0.649 -0.544 1.00 0.00 C ATOM 518 OE1 GLN A 37 -10.068 -0.154 -1.473 1.00 0.00 O ATOM 519 NE2 GLN A 37 -11.007 0.949 0.243 1.00 0.00 N ATOM 0 H GLN A 37 -6.687 2.874 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.047 1.057 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.482 0.553 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.535 -0.456 -0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.581 1.500 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.678 2.340 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.889 1.621 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.914 0.508 0.089 1.00 0.00 H new ATOM 528 N VAL A 38 -4.205 -0.310 -0.103 1.00 0.00 N ATOM 529 CA VAL A 38 -3.072 -1.086 -0.592 1.00 0.00 C ATOM 530 C VAL A 38 -3.159 -2.537 -0.130 1.00 0.00 C ATOM 531 O VAL A 38 -3.003 -2.833 1.054 1.00 0.00 O ATOM 532 CB VAL A 38 -1.734 -0.487 -0.116 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.566 -1.321 -0.620 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.606 0.957 -0.574 1.00 0.00 C ATOM 0 H VAL A 38 -4.346 -0.360 0.906 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.111 -1.051 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.715 -0.502 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.370 -0.883 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.654 -2.338 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.576 -1.341 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.656 1.365 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.646 0.998 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.425 1.544 -0.159 1.00 0.00 H new ATOM 544 N SER A 39 -3.408 -3.438 -1.075 1.00 0.00 N ATOM 545 CA SER A 39 -3.519 -4.859 -0.765 1.00 0.00 C ATOM 546 C SER A 39 -2.150 -5.531 -0.799 1.00 0.00 C ATOM 547 O SER A 39 -1.330 -5.252 -1.674 1.00 0.00 O ATOM 548 CB SER A 39 -4.461 -5.546 -1.755 1.00 0.00 C ATOM 549 OG SER A 39 -3.952 -5.478 -3.076 1.00 0.00 O ATOM 0 H SER A 39 -3.537 -3.210 -2.061 1.00 0.00 H new ATOM 0 HA SER A 39 -3.927 -4.955 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.597 -6.589 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.442 -5.073 -1.716 1.00 0.00 H new ATOM 0 HG SER A 39 -4.572 -5.926 -3.689 1.00 0.00 H new ATOM 555 N ARG A 40 -1.909 -6.418 0.161 1.00 0.00 N ATOM 556 CA ARG A 40 -0.640 -7.130 0.244 1.00 0.00 C ATOM 557 C ARG A 40 -0.821 -8.606 -0.098 1.00 0.00 C ATOM 558 O ARG A 40 0.002 -9.197 -0.797 1.00 0.00 O ATOM 559 CB ARG A 40 -0.042 -6.990 1.645 1.00 0.00 C ATOM 560 CG ARG A 40 -0.970 -7.460 2.753 1.00 0.00 C ATOM 561 CD ARG A 40 -0.224 -7.636 4.066 1.00 0.00 C ATOM 562 NE ARG A 40 0.301 -8.990 4.220 1.00 0.00 N ATOM 563 CZ ARG A 40 0.995 -9.393 5.279 1.00 0.00 C ATOM 564 NH1 ARG A 40 1.246 -8.551 6.271 1.00 0.00 N ATOM 565 NH2 ARG A 40 1.439 -10.642 5.346 1.00 0.00 N ATOM 0 H ARG A 40 -2.577 -6.661 0.893 1.00 0.00 H new ATOM 0 HA ARG A 40 0.043 -6.688 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.886 -7.560 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.216 -5.945 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.776 -6.738 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.432 -8.405 2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.597 -6.921 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.893 -7.410 4.896 1.00 0.00 H new ATOM 0 HE ARG A 40 0.125 -9.663 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.906 -7.590 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.779 -8.863 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.248 -11.293 4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.972 -10.951 6.159 1.00 0.00 H new ATOM 579 N GLY A 41 -1.904 -9.195 0.400 1.00 0.00 N ATOM 580 CA GLY A 41 -2.173 -10.597 0.137 1.00 0.00 C ATOM 581 C GLY A 41 -2.062 -11.452 1.383 1.00 0.00 C ATOM 582 O GLY A 41 -1.504 -11.038 2.399 1.00 0.00 O ATOM 0 H GLY A 41 -2.600 -8.727 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.174 -10.699 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.474 -10.963 -0.615 1.00 0.00 H new ATOM 586 N PRO A 42 -2.606 -12.676 1.316 1.00 0.00 N ATOM 587 CA PRO A 42 -2.580 -13.617 2.440 1.00 0.00 C ATOM 588 C PRO A 42 -1.178 -14.149 2.718 1.00 0.00 C ATOM 589 O PRO A 42 -0.708 -14.122 3.855 1.00 0.00 O ATOM 590 CB PRO A 42 -3.499 -14.750 1.975 1.00 0.00 C ATOM 591 CG PRO A 42 -3.452 -14.690 0.488 1.00 0.00 C ATOM 592 CD PRO A 42 -3.288 -13.237 0.137 1.00 0.00 C ATOM 0 HA PRO A 42 -2.896 -13.148 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.154 -15.716 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.515 -14.613 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.623 -15.281 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.365 -15.096 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.696 -13.107 -0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.250 -12.755 -0.038 1.00 0.00 H new ATOM 600 N GLY A 43 -0.514 -14.631 1.672 1.00 0.00 N ATOM 601 CA GLY A 43 0.828 -15.161 1.826 1.00 0.00 C ATOM 602 C GLY A 43 1.889 -14.216 1.298 1.00 0.00 C ATOM 603 O GLY A 43 2.331 -14.342 0.156 1.00 0.00 O ATOM 0 H GLY A 43 -0.881 -14.664 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.017 -15.362 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.901 -16.114 1.302 1.00 0.00 H new ATOM 607 N VAL A 44 2.299 -13.264 2.131 1.00 0.00 N ATOM 608 CA VAL A 44 3.314 -12.293 1.741 1.00 0.00 C ATOM 609 C VAL A 44 4.454 -12.254 2.753 1.00 0.00 C ATOM 610 O VAL A 44 4.331 -11.651 3.818 1.00 0.00 O ATOM 611 CB VAL A 44 2.716 -10.881 1.603 1.00 0.00 C ATOM 612 CG1 VAL A 44 3.808 -9.865 1.305 1.00 0.00 C ATOM 613 CG2 VAL A 44 1.647 -10.859 0.521 1.00 0.00 C ATOM 0 H VAL A 44 1.944 -13.145 3.080 1.00 0.00 H new ATOM 0 HA VAL A 44 3.702 -12.611 0.773 1.00 0.00 H new ATOM 0 HB VAL A 44 2.249 -10.609 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.366 -8.873 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.535 -9.863 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.307 -10.130 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.235 -9.853 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.088 -11.151 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.851 -11.557 0.782 1.00 0.00 H new ATOM 623 N ASN A 45 5.563 -12.901 2.412 1.00 0.00 N ATOM 624 CA ASN A 45 6.726 -12.940 3.291 1.00 0.00 C ATOM 625 C ASN A 45 7.940 -12.307 2.617 1.00 0.00 C ATOM 626 O ASN A 45 8.791 -13.003 2.065 1.00 0.00 O ATOM 627 CB ASN A 45 7.045 -14.384 3.686 1.00 0.00 C ATOM 628 CG ASN A 45 7.360 -15.255 2.486 1.00 0.00 C ATOM 629 OD1 ASN A 45 8.517 -15.601 2.243 1.00 0.00 O ATOM 630 ND2 ASN A 45 6.330 -15.615 1.728 1.00 0.00 N ATOM 0 H ASN A 45 5.681 -13.406 1.533 1.00 0.00 H new ATOM 0 HA ASN A 45 6.490 -12.367 4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.894 -14.392 4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.197 -14.806 4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.481 -16.201 0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.388 -15.305 1.967 1.00 0.00 H new ATOM 637 N VAL A 46 8.012 -10.980 2.666 1.00 0.00 N ATOM 638 CA VAL A 46 9.121 -10.252 2.062 1.00 0.00 C ATOM 639 C VAL A 46 9.706 -9.235 3.036 1.00 0.00 C ATOM 640 O VAL A 46 9.162 -9.010 4.116 1.00 0.00 O ATOM 641 CB VAL A 46 8.681 -9.522 0.779 1.00 0.00 C ATOM 642 CG1 VAL A 46 8.192 -10.519 -0.261 1.00 0.00 C ATOM 643 CG2 VAL A 46 7.603 -8.496 1.093 1.00 0.00 C ATOM 0 H VAL A 46 7.315 -10.388 3.118 1.00 0.00 H new ATOM 0 HA VAL A 46 9.883 -10.989 1.809 1.00 0.00 H new ATOM 0 HB VAL A 46 9.542 -8.996 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.885 -9.985 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.996 -11.212 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.344 -11.075 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.304 -7.990 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.739 -8.998 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.992 -7.764 1.801 1.00 0.00 H new ATOM 653 N GLY A 47 10.820 -8.623 2.646 1.00 0.00 N ATOM 654 CA GLY A 47 11.461 -7.636 3.496 1.00 0.00 C ATOM 655 C GLY A 47 10.820 -6.268 3.381 1.00 0.00 C ATOM 656 O GLY A 47 10.698 -5.545 4.371 1.00 0.00 O ATOM 0 H GLY A 47 11.290 -8.793 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.415 -7.969 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.516 -7.563 3.231 1.00 0.00 H new ATOM 660 N THR A 48 10.409 -5.908 2.169 1.00 0.00 N ATOM 661 CA THR A 48 9.780 -4.616 1.927 1.00 0.00 C ATOM 662 C THR A 48 8.269 -4.758 1.783 1.00 0.00 C ATOM 663 O THR A 48 7.766 -5.090 0.709 1.00 0.00 O ATOM 664 CB THR A 48 10.344 -3.944 0.661 1.00 0.00 C ATOM 665 OG1 THR A 48 11.737 -3.661 0.836 1.00 0.00 O ATOM 666 CG2 THR A 48 9.596 -2.656 0.353 1.00 0.00 C ATOM 0 H THR A 48 10.501 -6.494 1.339 1.00 0.00 H new ATOM 0 HA THR A 48 10.003 -3.990 2.791 1.00 0.00 H new ATOM 0 HB THR A 48 10.215 -4.630 -0.176 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.089 -3.235 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.012 -2.199 -0.545 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.541 -2.878 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.698 -1.967 1.191 1.00 0.00 H new ATOM 674 N THR A 49 7.549 -4.505 2.871 1.00 0.00 N ATOM 675 CA THR A 49 6.095 -4.605 2.865 1.00 0.00 C ATOM 676 C THR A 49 5.493 -3.816 1.708 1.00 0.00 C ATOM 677 O THR A 49 5.800 -2.639 1.522 1.00 0.00 O ATOM 678 CB THR A 49 5.491 -4.096 4.188 1.00 0.00 C ATOM 679 OG1 THR A 49 6.361 -4.418 5.279 1.00 0.00 O ATOM 680 CG2 THR A 49 4.119 -4.708 4.428 1.00 0.00 C ATOM 0 H THR A 49 7.949 -4.229 3.768 1.00 0.00 H new ATOM 0 HA THR A 49 5.852 -5.661 2.746 1.00 0.00 H new ATOM 0 HB THR A 49 5.381 -3.014 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.995 -3.684 5.420 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.713 -4.334 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.451 -4.436 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.208 -5.793 4.478 1.00 0.00 H new ATOM 688 N ALA A 50 4.635 -4.472 0.934 1.00 0.00 N ATOM 689 CA ALA A 50 3.989 -3.829 -0.204 1.00 0.00 C ATOM 690 C ALA A 50 3.663 -2.371 0.101 1.00 0.00 C ATOM 691 O ALA A 50 3.716 -1.515 -0.783 1.00 0.00 O ATOM 692 CB ALA A 50 2.725 -4.585 -0.589 1.00 0.00 C ATOM 0 H ALA A 50 4.371 -5.447 1.074 1.00 0.00 H new ATOM 0 HA ALA A 50 4.683 -3.850 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.253 -4.094 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.982 -5.610 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.035 -4.593 0.254 1.00 0.00 H new ATOM 698 N LEU A 51 3.326 -2.095 1.356 1.00 0.00 N ATOM 699 CA LEU A 51 2.991 -0.739 1.777 1.00 0.00 C ATOM 700 C LEU A 51 4.150 0.216 1.510 1.00 0.00 C ATOM 701 O LEU A 51 3.978 1.252 0.867 1.00 0.00 O ATOM 702 CB LEU A 51 2.632 -0.720 3.264 1.00 0.00 C ATOM 703 CG LEU A 51 1.634 -1.783 3.727 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.601 -1.858 5.245 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.247 -1.488 3.175 1.00 0.00 C ATOM 0 H LEU A 51 3.277 -2.792 2.099 1.00 0.00 H new ATOM 0 HA LEU A 51 2.130 -0.407 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.550 -0.836 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.225 0.262 3.507 1.00 0.00 H new ATOM 0 HG LEU A 51 1.958 -2.750 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.886 -2.619 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.592 -2.117 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.302 -0.892 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.450 -2.254 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.086 -0.512 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.282 -1.486 2.086 1.00 0.00 H new ATOM 717 N TRP A 52 5.329 -0.140 2.006 1.00 0.00 N ATOM 718 CA TRP A 52 6.517 0.685 1.819 1.00 0.00 C ATOM 719 C TRP A 52 6.561 1.266 0.410 1.00 0.00 C ATOM 720 O TRP A 52 6.710 2.474 0.229 1.00 0.00 O ATOM 721 CB TRP A 52 7.780 -0.136 2.085 1.00 0.00 C ATOM 722 CG TRP A 52 8.043 -0.366 3.542 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.821 -1.517 4.243 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.575 0.578 4.477 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.183 -1.345 5.557 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.650 -0.068 5.726 1.00 0.00 C ATOM 727 CE3 TRP A 52 8.998 1.907 4.380 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.128 0.570 6.867 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.473 2.539 5.514 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.536 1.871 6.744 1.00 0.00 C ATOM 0 H TRP A 52 5.488 -0.994 2.541 1.00 0.00 H new ATOM 0 HA TRP A 52 6.471 1.510 2.530 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.691 -1.099 1.583 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.636 0.375 1.645 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.420 -2.429 3.826 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.115 -2.053 6.288 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.954 2.430 3.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.175 0.057 7.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.801 3.566 5.451 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.913 2.392 7.611 1.00 0.00 H new ATOM 741 N LYS A 53 6.429 0.397 -0.587 1.00 0.00 N ATOM 742 CA LYS A 53 6.452 0.823 -1.982 1.00 0.00 C ATOM 743 C LYS A 53 5.570 2.051 -2.190 1.00 0.00 C ATOM 744 O LYS A 53 5.953 2.991 -2.887 1.00 0.00 O ATOM 745 CB LYS A 53 5.983 -0.314 -2.892 1.00 0.00 C ATOM 746 CG LYS A 53 7.069 -1.328 -3.206 1.00 0.00 C ATOM 747 CD LYS A 53 7.361 -2.221 -2.012 1.00 0.00 C ATOM 748 CE LYS A 53 7.920 -3.568 -2.445 1.00 0.00 C ATOM 749 NZ LYS A 53 6.961 -4.315 -3.306 1.00 0.00 N ATOM 0 H LYS A 53 6.305 -0.607 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 53 7.478 1.086 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.146 -0.826 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.611 0.109 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.762 -1.941 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.979 -0.807 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.073 -1.726 -1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.447 -2.373 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.853 -3.417 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.157 -4.164 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.098 -5.337 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.988 -4.059 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.127 -4.071 -4.303 1.00 0.00 H new ATOM 763 N HIS A 54 4.390 2.037 -1.579 1.00 0.00 N ATOM 764 CA HIS A 54 3.455 3.150 -1.696 1.00 0.00 C ATOM 765 C HIS A 54 3.977 4.378 -0.956 1.00 0.00 C ATOM 766 O HIS A 54 3.868 5.503 -1.445 1.00 0.00 O ATOM 767 CB HIS A 54 2.085 2.753 -1.146 1.00 0.00 C ATOM 768 CG HIS A 54 1.086 3.869 -1.164 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.534 4.367 -2.325 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.539 4.584 -0.153 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.308 5.340 -2.028 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.324 5.492 -0.716 1.00 0.00 N ATOM 0 H HIS A 54 4.058 1.267 -0.998 1.00 0.00 H new ATOM 0 HA HIS A 54 3.356 3.399 -2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.696 1.919 -1.730 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.203 2.398 -0.122 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.743 4.036 -3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.743 4.463 0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.886 5.914 -2.737 1.00 0.00 H new ATOM 780 N LEU A 55 4.544 4.154 0.225 1.00 0.00 N ATOM 781 CA LEU A 55 5.082 5.242 1.033 1.00 0.00 C ATOM 782 C LEU A 55 6.223 5.948 0.306 1.00 0.00 C ATOM 783 O LEU A 55 6.264 7.176 0.237 1.00 0.00 O ATOM 784 CB LEU A 55 5.574 4.709 2.380 1.00 0.00 C ATOM 785 CG LEU A 55 4.495 4.185 3.328 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.110 3.296 4.398 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.737 5.341 3.964 1.00 0.00 C ATOM 0 H LEU A 55 4.643 3.229 0.644 1.00 0.00 H new ATOM 0 HA LEU A 55 4.283 5.963 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.286 3.905 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.119 5.506 2.886 1.00 0.00 H new ATOM 0 HG LEU A 55 3.790 3.588 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.327 2.932 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.607 2.449 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.838 3.869 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.973 4.949 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.431 5.965 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.263 5.938 3.185 1.00 0.00 H new ATOM 799 N LYS A 56 7.147 5.163 -0.237 1.00 0.00 N ATOM 800 CA LYS A 56 8.287 5.710 -0.962 1.00 0.00 C ATOM 801 C LYS A 56 7.874 6.172 -2.356 1.00 0.00 C ATOM 802 O LYS A 56 8.648 6.821 -3.060 1.00 0.00 O ATOM 803 CB LYS A 56 9.400 4.665 -1.069 1.00 0.00 C ATOM 804 CG LYS A 56 9.724 3.985 0.250 1.00 0.00 C ATOM 805 CD LYS A 56 10.197 2.557 0.039 1.00 0.00 C ATOM 806 CE LYS A 56 11.710 2.486 -0.104 1.00 0.00 C ATOM 807 NZ LYS A 56 12.138 2.611 -1.525 1.00 0.00 N ATOM 0 H LYS A 56 7.128 4.144 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 56 8.658 6.572 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.107 3.908 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.301 5.144 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.495 4.551 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.840 3.986 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.881 1.940 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.726 2.145 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.168 3.281 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.069 1.540 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.175 2.558 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.721 1.838 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.817 3.524 -1.905 1.00 0.00 H new ATOM 821 N SER A 57 6.649 5.835 -2.748 1.00 0.00 N ATOM 822 CA SER A 57 6.134 6.214 -4.058 1.00 0.00 C ATOM 823 C SER A 57 5.587 7.637 -4.036 1.00 0.00 C ATOM 824 O SER A 57 5.814 8.415 -4.963 1.00 0.00 O ATOM 825 CB SER A 57 5.039 5.241 -4.500 1.00 0.00 C ATOM 826 OG SER A 57 4.472 5.639 -5.736 1.00 0.00 O ATOM 0 H SER A 57 5.995 5.300 -2.177 1.00 0.00 H new ATOM 0 HA SER A 57 6.958 6.171 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.455 4.238 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.261 5.193 -3.738 1.00 0.00 H new ATOM 0 HG SER A 57 3.776 5.000 -5.997 1.00 0.00 H new ATOM 832 N MET A 58 4.864 7.970 -2.972 1.00 0.00 N ATOM 833 CA MET A 58 4.284 9.301 -2.828 1.00 0.00 C ATOM 834 C MET A 58 4.727 9.948 -1.519 1.00 0.00 C ATOM 835 O MET A 58 4.911 11.163 -1.447 1.00 0.00 O ATOM 836 CB MET A 58 2.757 9.223 -2.881 1.00 0.00 C ATOM 837 CG MET A 58 2.139 8.566 -1.658 1.00 0.00 C ATOM 838 SD MET A 58 0.410 9.020 -1.425 1.00 0.00 S ATOM 839 CE MET A 58 -0.204 8.889 -3.103 1.00 0.00 C ATOM 0 H MET A 58 4.666 7.337 -2.197 1.00 0.00 H new ATOM 0 HA MET A 58 4.638 9.916 -3.655 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.353 10.230 -2.985 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.460 8.667 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.216 7.483 -1.754 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.707 8.849 -0.772 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.291 8.804 -3.087 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.082 9.777 -3.666 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.222 8.005 -3.578 1.00 0.00 H new ATOM 849 N HIS A 59 4.896 9.128 -0.486 1.00 0.00 N ATOM 850 CA HIS A 59 5.318 9.622 0.820 1.00 0.00 C ATOM 851 C HIS A 59 6.833 9.529 0.973 1.00 0.00 C ATOM 852 O HIS A 59 7.350 9.448 2.087 1.00 0.00 O ATOM 853 CB HIS A 59 4.631 8.830 1.933 1.00 0.00 C ATOM 854 CG HIS A 59 3.136 8.845 1.845 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.380 9.973 2.085 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.257 7.862 1.540 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.100 9.682 1.932 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.999 8.407 1.601 1.00 0.00 N ATOM 0 H HIS A 59 4.747 8.120 -0.528 1.00 0.00 H new ATOM 0 HA HIS A 59 5.027 10.670 0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.978 7.797 1.900 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.934 9.237 2.898 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.751 10.888 2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.500 6.839 1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.277 10.370 2.056 1.00 0.00 H new ATOM 866 N ARG A 60 7.538 9.539 -0.154 1.00 0.00 N ATOM 867 CA ARG A 60 8.993 9.454 -0.144 1.00 0.00 C ATOM 868 C ARG A 60 9.595 10.520 0.766 1.00 0.00 C ATOM 869 O ARG A 60 10.632 10.302 1.392 1.00 0.00 O ATOM 870 CB ARG A 60 9.544 9.610 -1.563 1.00 0.00 C ATOM 871 CG ARG A 60 11.053 9.784 -1.616 1.00 0.00 C ATOM 872 CD ARG A 60 11.589 9.575 -3.023 1.00 0.00 C ATOM 873 NE ARG A 60 13.046 9.476 -3.045 1.00 0.00 N ATOM 874 CZ ARG A 60 13.713 8.373 -2.723 1.00 0.00 C ATOM 875 NH1 ARG A 60 13.057 7.281 -2.357 1.00 0.00 N ATOM 876 NH2 ARG A 60 15.039 8.362 -2.767 1.00 0.00 N ATOM 0 H ARG A 60 7.125 9.605 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 60 9.271 8.473 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.267 8.734 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.071 10.471 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.317 10.783 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.526 9.075 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.158 8.667 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.272 10.402 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 60 13.581 10.299 -3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.038 7.286 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.572 6.436 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.547 9.201 -3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.550 7.515 -2.520 1.00 0.00 H new ATOM 890 N GLU A 61 8.936 11.673 0.834 1.00 0.00 N ATOM 891 CA GLU A 61 9.407 12.773 1.667 1.00 0.00 C ATOM 892 C GLU A 61 9.108 12.508 3.140 1.00 0.00 C ATOM 893 O GLU A 61 9.965 12.698 4.002 1.00 0.00 O ATOM 894 CB GLU A 61 8.756 14.087 1.232 1.00 0.00 C ATOM 895 CG GLU A 61 9.238 14.588 -0.119 1.00 0.00 C ATOM 896 CD GLU A 61 8.372 15.704 -0.670 1.00 0.00 C ATOM 897 OE1 GLU A 61 7.352 15.398 -1.322 1.00 0.00 O ATOM 898 OE2 GLU A 61 8.715 16.885 -0.449 1.00 0.00 O ATOM 0 H GLU A 61 8.075 11.869 0.323 1.00 0.00 H new ATOM 0 HA GLU A 61 10.487 12.852 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.675 13.952 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.957 14.849 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.265 14.942 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.250 13.759 -0.827 1.00 0.00 H new ATOM 905 N GLU A 62 7.885 12.067 3.419 1.00 0.00 N ATOM 906 CA GLU A 62 7.472 11.776 4.787 1.00 0.00 C ATOM 907 C GLU A 62 8.425 10.780 5.443 1.00 0.00 C ATOM 908 O GLU A 62 8.932 11.019 6.540 1.00 0.00 O ATOM 909 CB GLU A 62 6.046 11.223 4.807 1.00 0.00 C ATOM 910 CG GLU A 62 4.979 12.296 4.945 1.00 0.00 C ATOM 911 CD GLU A 62 5.092 13.373 3.883 1.00 0.00 C ATOM 912 OE1 GLU A 62 5.217 13.019 2.692 1.00 0.00 O ATOM 913 OE2 GLU A 62 5.056 14.568 4.243 1.00 0.00 O ATOM 0 H GLU A 62 7.164 11.904 2.717 1.00 0.00 H new ATOM 0 HA GLU A 62 7.500 12.707 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.870 10.663 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.950 10.519 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.994 11.833 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.056 12.754 5.931 1.00 0.00 H new ATOM 920 N LEU A 63 8.663 9.664 4.764 1.00 0.00 N ATOM 921 CA LEU A 63 9.554 8.630 5.280 1.00 0.00 C ATOM 922 C LEU A 63 10.901 9.223 5.681 1.00 0.00 C ATOM 923 O LEU A 63 11.280 9.190 6.851 1.00 0.00 O ATOM 924 CB LEU A 63 9.757 7.535 4.231 1.00 0.00 C ATOM 925 CG LEU A 63 8.491 6.835 3.737 1.00 0.00 C ATOM 926 CD1 LEU A 63 8.833 5.794 2.682 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.747 6.195 4.900 1.00 0.00 C ATOM 0 H LEU A 63 8.252 9.451 3.855 1.00 0.00 H new ATOM 0 HA LEU A 63 9.092 8.195 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.265 7.973 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.426 6.781 4.646 1.00 0.00 H new ATOM 0 HG LEU A 63 7.840 7.582 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.919 5.306 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.321 6.279 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.504 5.049 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.849 5.701 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.391 5.461 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.468 6.964 5.620 1.00 0.00 H new ATOM 939 N GLU A 64 11.618 9.766 4.702 1.00 0.00 N ATOM 940 CA GLU A 64 12.922 10.367 4.954 1.00 0.00 C ATOM 941 C GLU A 64 12.875 11.272 6.182 1.00 0.00 C ATOM 942 O GLU A 64 13.760 11.224 7.037 1.00 0.00 O ATOM 943 CB GLU A 64 13.384 11.167 3.735 1.00 0.00 C ATOM 944 CG GLU A 64 13.571 10.321 2.487 1.00 0.00 C ATOM 945 CD GLU A 64 14.031 11.135 1.293 1.00 0.00 C ATOM 946 OE1 GLU A 64 14.689 12.176 1.502 1.00 0.00 O ATOM 947 OE2 GLU A 64 13.732 10.731 0.150 1.00 0.00 O ATOM 0 H GLU A 64 11.318 9.802 3.728 1.00 0.00 H new ATOM 0 HA GLU A 64 13.634 9.563 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.655 11.950 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.325 11.663 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.301 9.537 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.631 9.826 2.244 1.00 0.00 H new ATOM 954 N LYS A 65 11.837 12.097 6.263 1.00 0.00 N ATOM 955 CA LYS A 65 11.672 13.014 7.385 1.00 0.00 C ATOM 956 C LYS A 65 11.771 12.270 8.713 1.00 0.00 C ATOM 957 O LYS A 65 12.458 12.713 9.633 1.00 0.00 O ATOM 958 CB LYS A 65 10.325 13.733 7.289 1.00 0.00 C ATOM 959 CG LYS A 65 10.100 14.753 8.392 1.00 0.00 C ATOM 960 CD LYS A 65 9.114 15.827 7.965 1.00 0.00 C ATOM 961 CE LYS A 65 7.702 15.273 7.852 1.00 0.00 C ATOM 962 NZ LYS A 65 6.888 16.028 6.858 1.00 0.00 N ATOM 0 H LYS A 65 11.096 12.150 5.564 1.00 0.00 H new ATOM 0 HA LYS A 65 12.473 13.752 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.258 14.234 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.525 12.994 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.727 14.249 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.050 15.216 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.129 16.644 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.421 16.243 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.746 14.223 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.216 15.315 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.933 15.620 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.825 17.025 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.338 15.966 5.922 1.00 0.00 H new ATOM 976 N SER A 66 11.081 11.138 8.805 1.00 0.00 N ATOM 977 CA SER A 66 11.089 10.334 10.022 1.00 0.00 C ATOM 978 C SER A 66 12.237 9.329 10.002 1.00 0.00 C ATOM 979 O SER A 66 12.247 8.366 10.766 1.00 0.00 O ATOM 980 CB SER A 66 9.757 9.600 10.183 1.00 0.00 C ATOM 981 OG SER A 66 8.727 10.492 10.575 1.00 0.00 O ATOM 0 H SER A 66 10.509 10.757 8.051 1.00 0.00 H new ATOM 0 HA SER A 66 11.231 11.005 10.869 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.487 9.119 9.243 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.861 8.810 10.927 1.00 0.00 H new ATOM 0 HG SER A 66 7.885 9.999 10.669 1.00 0.00 H new ATOM 987 N GLY A 67 13.204 9.563 9.119 1.00 0.00 N ATOM 988 CA GLY A 67 14.344 8.670 9.015 1.00 0.00 C ATOM 989 C GLY A 67 13.938 7.249 8.681 1.00 0.00 C ATOM 990 O GLY A 67 14.071 6.347 9.509 1.00 0.00 O ATOM 0 H GLY A 67 13.218 10.354 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.023 9.041 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.893 8.676 9.956 1.00 0.00 H new ATOM 994 N HIS A 68 13.440 7.047 7.465 1.00 0.00 N ATOM 995 CA HIS A 68 13.012 5.724 7.024 1.00 0.00 C ATOM 996 C HIS A 68 13.729 5.321 5.739 1.00 0.00 C ATOM 997 O HIS A 68 13.189 5.466 4.644 1.00 0.00 O ATOM 998 CB HIS A 68 11.498 5.701 6.806 1.00 0.00 C ATOM 999 CG HIS A 68 10.723 5.311 8.026 1.00 0.00 C ATOM 1000 ND1 HIS A 68 9.467 4.744 7.970 1.00 0.00 N ATOM 1001 CD2 HIS A 68 11.033 5.406 9.340 1.00 0.00 C ATOM 1002 CE1 HIS A 68 9.037 4.510 9.197 1.00 0.00 C ATOM 1003 NE2 HIS A 68 9.969 4.902 10.047 1.00 0.00 N ATOM 0 H HIS A 68 13.323 7.782 6.768 1.00 0.00 H new ATOM 0 HA HIS A 68 13.270 5.007 7.803 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.171 6.688 6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.266 5.005 6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.947 5.804 9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.085 4.073 9.460 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.908 4.840 11.063 1.00 0.00 H new ATOM 1011 N GLY A 69 14.950 4.815 5.883 1.00 0.00 N ATOM 1012 CA GLY A 69 15.722 4.400 4.726 1.00 0.00 C ATOM 1013 C GLY A 69 16.324 3.019 4.895 1.00 0.00 C ATOM 1014 O GLY A 69 16.358 2.231 3.951 1.00 0.00 O ATOM 0 H GLY A 69 15.418 4.685 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.082 4.408 3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.520 5.121 4.548 1.00 0.00 H new ATOM 1018 N GLN A 70 16.800 2.726 6.101 1.00 0.00 N ATOM 1019 CA GLN A 70 17.405 1.431 6.389 1.00 0.00 C ATOM 1020 C GLN A 70 16.615 0.303 5.734 1.00 0.00 C ATOM 1021 O GLN A 70 17.170 -0.742 5.397 1.00 0.00 O ATOM 1022 CB GLN A 70 17.481 1.205 7.900 1.00 0.00 C ATOM 1023 CG GLN A 70 18.744 1.764 8.536 1.00 0.00 C ATOM 1024 CD GLN A 70 19.957 0.888 8.293 1.00 0.00 C ATOM 1025 OE1 GLN A 70 20.137 0.346 7.202 1.00 0.00 O ATOM 1026 NE2 GLN A 70 20.796 0.743 9.311 1.00 0.00 N ATOM 0 H GLN A 70 16.778 3.367 6.894 1.00 0.00 H new ATOM 0 HA GLN A 70 18.414 1.430 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.613 1.665 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 70 17.425 0.135 8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 70 18.935 2.761 8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 70 18.588 1.873 9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 70 20.608 1.211 10.198 1.00 0.00 H new ATOM 0 HE22 GLN A 70 21.629 0.164 9.207 1.00 0.00 H new ATOM 1035 N SER A 71 15.316 0.523 5.555 1.00 0.00 N ATOM 1036 CA SER A 71 14.449 -0.477 4.943 1.00 0.00 C ATOM 1037 C SER A 71 14.585 -0.458 3.424 1.00 0.00 C ATOM 1038 O SER A 71 13.616 -0.217 2.706 1.00 0.00 O ATOM 1039 CB SER A 71 12.992 -0.230 5.339 1.00 0.00 C ATOM 1040 OG SER A 71 12.494 0.954 4.740 1.00 0.00 O ATOM 0 H SER A 71 14.841 1.384 5.825 1.00 0.00 H new ATOM 0 HA SER A 71 14.756 -1.458 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.380 -1.080 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.915 -0.153 6.424 1.00 0.00 H new ATOM 0 HG SER A 71 12.593 0.895 3.767 1.00 0.00 H new ATOM 1046 N GLY A 72 15.797 -0.713 2.941 1.00 0.00 N ATOM 1047 CA GLY A 72 16.040 -0.721 1.511 1.00 0.00 C ATOM 1048 C GLY A 72 17.362 -1.370 1.150 1.00 0.00 C ATOM 1049 O GLY A 72 18.253 -0.738 0.583 1.00 0.00 O ATOM 0 H GLY A 72 16.615 -0.914 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.230 -1.252 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.028 0.303 1.138 1.00 0.00 H new ATOM 1053 N PRO A 73 17.502 -2.661 1.484 1.00 0.00 N ATOM 1054 CA PRO A 73 18.721 -3.424 1.202 1.00 0.00 C ATOM 1055 C PRO A 73 18.909 -3.687 -0.288 1.00 0.00 C ATOM 1056 O PRO A 73 18.248 -4.552 -0.863 1.00 0.00 O ATOM 1057 CB PRO A 73 18.499 -4.739 1.954 1.00 0.00 C ATOM 1058 CG PRO A 73 17.019 -4.876 2.048 1.00 0.00 C ATOM 1059 CD PRO A 73 16.480 -3.476 2.162 1.00 0.00 C ATOM 0 HA PRO A 73 19.618 -2.887 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.941 -5.580 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.958 -4.712 2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 73 16.617 -5.379 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.737 -5.475 2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.506 -3.380 1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.353 -3.178 3.203 1.00 0.00 H new ATOM 1067 N SER A 74 19.814 -2.937 -0.908 1.00 0.00 N ATOM 1068 CA SER A 74 20.086 -3.087 -2.333 1.00 0.00 C ATOM 1069 C SER A 74 21.426 -2.457 -2.699 1.00 0.00 C ATOM 1070 O SER A 74 21.948 -1.614 -1.970 1.00 0.00 O ATOM 1071 CB SER A 74 18.966 -2.450 -3.157 1.00 0.00 C ATOM 1072 OG SER A 74 17.707 -3.006 -2.823 1.00 0.00 O ATOM 0 H SER A 74 20.372 -2.219 -0.446 1.00 0.00 H new ATOM 0 HA SER A 74 20.132 -4.152 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 74 18.949 -1.374 -2.983 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.162 -2.598 -4.219 1.00 0.00 H new ATOM 0 HG SER A 74 17.839 -3.849 -2.340 1.00 0.00 H new ATOM 1078 N SER A 75 21.977 -2.871 -3.836 1.00 0.00 N ATOM 1079 CA SER A 75 23.258 -2.351 -4.299 1.00 0.00 C ATOM 1080 C SER A 75 23.211 -0.831 -4.431 1.00 0.00 C ATOM 1081 O SER A 75 22.570 -0.295 -5.334 1.00 0.00 O ATOM 1082 CB SER A 75 23.632 -2.979 -5.643 1.00 0.00 C ATOM 1083 OG SER A 75 24.877 -2.488 -6.107 1.00 0.00 O ATOM 0 H SER A 75 21.556 -3.565 -4.453 1.00 0.00 H new ATOM 0 HA SER A 75 24.016 -2.612 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 75 23.681 -4.063 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.856 -2.763 -6.377 1.00 0.00 H new ATOM 0 HG SER A 75 25.094 -2.906 -6.967 1.00 0.00 H new ATOM 1089 N GLY A 76 23.895 -0.143 -3.522 1.00 0.00 N ATOM 1090 CA GLY A 76 23.919 1.307 -3.553 1.00 0.00 C ATOM 1091 C GLY A 76 22.579 1.917 -3.192 1.00 0.00 C ATOM 1092 O GLY A 76 22.225 1.931 -2.015 1.00 0.00 O ATOM 0 H GLY A 76 24.433 -0.564 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 76 24.678 1.670 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.210 1.641 -4.549 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.703 6.877 1.164 1.00 0.00 ZN