USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 93 TYR OH : rot -133:sc= -4.68! USER MOD Set 1.2: A 94 HIS :FLIP no HE2:sc= -28.6! C(o=-39!,f=-33!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -175:sc= -0.92! (180deg=-1.03!) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= -0.0275 USER MOD Set 3.1: A 39 SER OG : rot 140:sc= -0.389! USER MOD Set 3.2: A 46 THR OG1 : rot 65:sc= -1.25 USER MOD Set 3.3: A 65 HIS : no HE2:sc= -17.3! C(o=-19!,f=-29!) USER MOD Set 4.1: A 13 ASN :FLIP amide:sc= -13.2! C(o=-48!,f=-43!) USER MOD Set 4.2: A 35 MET CE :methyl -139:sc= -29.3! (180deg=-29.9!) USER MOD Single : A 4 ASN : amide:sc= -4.17! C(o=-4.2!,f=-8!) USER MOD Single : A 5 ASN :FLIP amide:sc= -11.4! C(o=-15!,f=-11!) USER MOD Single : A 8 THR OG1 : rot 5:sc= 1.06 USER MOD Single : A 9 TYR OH : rot 2:sc= -4.7! USER MOD Single : A 12 TYR OH : rot 147:sc= -15.2! USER MOD Single : A 14 LYS NZ :NH3+ -109:sc= -4.35! (180deg=-11.6!) USER MOD Single : A 15 SER OG : rot -24:sc= 0.354 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -99:sc= -8.35! (180deg=-12.6!) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -4.47! (180deg=-5.12!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= -0.915 (180deg=-2.7!) USER MOD Single : A 41 THR OG1 : rot -170:sc= -6.93! USER MOD Single : A 44 THR OG1 : rot -171:sc= -2.25! USER MOD Single : A 45 TYR OH : rot 133:sc= 0.29 USER MOD Single : A 48 SER OG : rot -90:sc= -1.33! USER MOD Single : A 51 THR OG1 : rot 98:sc= -9.83! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.697 K(o=0.7,f=-0.97) USER MOD Single : A 60 CYS SG : rot 180:sc= -8.35! USER MOD Single : A 62 LYS NZ :NH3+ 139:sc= 0.524 (180deg=0.0161) USER MOD Single : A 63 HIS : no HD1:sc= -19.4! C(o=-19!,f=-24!) USER MOD Single : A 64 TYR OH : rot -71:sc= -8.44! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 60:sc= -1.02! USER MOD Single : A 70 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 72 SER OG : rot 102:sc= -3.08! USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0.0431 (180deg=0.041) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 129:sc= -1.49! USER MOD Single : A 86 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 92 GLN : amide:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 95 GLN :FLIP amide:sc= -21.4! C(o=-25!,f=-21!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.088) USER MOD Single : A 103 THR OG1 : rot -14:sc= -2.44! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -42:sc= 0.41 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.606 10.564 5.533 1.00 0.00 C HETATM 2 O ACE A 3 -12.549 10.714 6.754 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.799 11.048 4.750 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.476 11.782 4.012 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.268 10.205 4.242 1.00 0.00 H new HETATM 0 H3 ACE A 3 -14.517 11.508 5.429 1.00 0.00 H new ATOM 7 N ASN A 4 -11.642 9.976 4.832 1.00 0.00 N ATOM 8 CA ASN A 4 -10.437 9.460 5.470 1.00 0.00 C ATOM 9 C ASN A 4 -9.255 9.488 4.506 1.00 0.00 C ATOM 10 O ASN A 4 -9.069 8.569 3.710 1.00 0.00 O ATOM 11 CB ASN A 4 -10.668 8.033 5.969 1.00 0.00 C ATOM 12 CG ASN A 4 -12.135 7.649 5.959 1.00 0.00 C ATOM 13 OD1 ASN A 4 -12.876 8.003 5.042 1.00 0.00 O ATOM 14 ND2 ASN A 4 -12.562 6.918 6.983 1.00 0.00 N ATOM 0 H ASN A 4 -11.672 9.845 3.821 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.205 10.101 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.109 7.337 5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.277 7.937 6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.539 6.628 7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.913 6.647 7.722 1.00 0.00 H new ATOM 21 N ASN A 5 -8.459 10.550 4.584 1.00 0.00 N ATOM 22 CA ASN A 5 -7.295 10.698 3.718 1.00 0.00 C ATOM 23 C ASN A 5 -6.146 9.817 4.197 1.00 0.00 C ATOM 24 O ASN A 5 -5.059 9.836 3.626 1.00 0.00 O ATOM 25 CB ASN A 5 -6.848 12.160 3.674 1.00 0.00 C ATOM 26 CG ASN A 5 -7.324 12.947 4.880 1.00 0.00 C ATOM 27 OD1 ASN A 5 -7.154 12.372 6.066 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -7.838 14.058 4.748 1.00 0.00 N flip ATOM 0 H ASN A 5 -8.599 11.320 5.238 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.578 10.382 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.760 12.203 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.229 12.626 2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.949 14.461 3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.153 14.575 5.569 1.00 0.00 H new ATOM 35 N LEU A 6 -6.398 9.045 5.250 1.00 0.00 N ATOM 36 CA LEU A 6 -5.389 8.151 5.816 1.00 0.00 C ATOM 37 C LEU A 6 -4.086 8.881 6.081 1.00 0.00 C ATOM 38 O LEU A 6 -3.067 8.257 6.372 1.00 0.00 O ATOM 39 CB LEU A 6 -5.113 6.974 4.883 1.00 0.00 C ATOM 40 CG LEU A 6 -5.824 7.018 3.540 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.921 6.473 2.450 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.112 6.230 3.622 1.00 0.00 C ATOM 0 H LEU A 6 -7.297 9.020 5.732 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.790 7.782 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.039 6.920 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.397 6.054 5.394 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.064 8.052 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.442 6.510 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.015 7.076 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.656 5.441 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.620 6.263 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.889 5.195 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.756 6.664 4.387 1.00 0.00 H new ATOM 54 N GLU A 7 -4.117 10.197 5.970 1.00 0.00 N ATOM 55 CA GLU A 7 -2.923 11.000 6.191 1.00 0.00 C ATOM 56 C GLU A 7 -2.368 10.795 7.598 1.00 0.00 C ATOM 57 O GLU A 7 -2.089 11.760 8.311 1.00 0.00 O ATOM 58 CB GLU A 7 -3.223 12.481 5.952 1.00 0.00 C ATOM 59 CG GLU A 7 -4.696 12.831 6.079 1.00 0.00 C ATOM 60 CD GLU A 7 -4.956 14.317 5.935 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.702 15.061 6.906 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.414 14.738 4.851 1.00 0.00 O ATOM 0 H GLU A 7 -4.951 10.733 5.729 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.166 10.673 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.653 13.078 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.877 12.757 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.261 12.292 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.064 12.494 7.048 1.00 0.00 H new ATOM 69 N THR A 8 -2.209 9.535 7.990 1.00 0.00 N ATOM 70 CA THR A 8 -1.684 9.209 9.312 1.00 0.00 C ATOM 71 C THR A 8 -1.154 7.773 9.383 1.00 0.00 C ATOM 72 O THR A 8 -0.802 7.296 10.463 1.00 0.00 O ATOM 73 CB THR A 8 -2.767 9.413 10.372 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.392 8.804 11.595 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.112 8.845 9.971 1.00 0.00 C ATOM 0 H THR A 8 -2.435 8.725 7.413 1.00 0.00 H new ATOM 0 HA THR A 8 -0.848 9.881 9.505 1.00 0.00 H new ATOM 0 HB THR A 8 -2.864 10.493 10.481 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.479 8.457 11.521 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.834 9.024 10.767 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.453 9.329 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.018 7.773 9.801 1.00 0.00 H new ATOM 83 N TYR A 9 -1.098 7.080 8.246 1.00 0.00 N ATOM 84 CA TYR A 9 -0.611 5.706 8.223 1.00 0.00 C ATOM 85 C TYR A 9 0.863 5.640 7.865 1.00 0.00 C ATOM 86 O TYR A 9 1.276 6.116 6.808 1.00 0.00 O ATOM 87 CB TYR A 9 -1.416 4.875 7.228 1.00 0.00 C ATOM 88 CG TYR A 9 -2.870 4.785 7.610 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.289 3.874 8.567 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.818 5.627 7.039 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.612 3.795 8.946 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.147 5.556 7.419 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.537 4.639 8.370 1.00 0.00 C ATOM 94 OH TYR A 9 -6.858 4.571 8.751 1.00 0.00 O ATOM 0 H TYR A 9 -1.382 7.446 7.337 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.737 5.298 9.226 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.329 5.316 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.994 3.872 7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.566 3.214 9.024 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.514 6.344 6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.922 3.076 9.690 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.875 6.217 6.972 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.960 3.903 9.461 1.00 0.00 H new ATOM 104 N GLU A 10 1.653 5.026 8.737 1.00 0.00 N ATOM 105 CA GLU A 10 3.077 4.885 8.480 1.00 0.00 C ATOM 106 C GLU A 10 3.274 4.522 7.026 1.00 0.00 C ATOM 107 O GLU A 10 4.323 4.769 6.435 1.00 0.00 O ATOM 108 CB GLU A 10 3.680 3.788 9.352 1.00 0.00 C ATOM 109 CG GLU A 10 2.640 2.897 9.989 1.00 0.00 C ATOM 110 CD GLU A 10 3.229 1.944 11.011 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.451 2.020 11.258 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.469 1.121 11.562 1.00 0.00 O ATOM 0 H GLU A 10 1.335 4.623 9.618 1.00 0.00 H new ATOM 0 HA GLU A 10 3.573 5.827 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.350 3.178 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.285 4.246 10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.883 3.516 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.135 2.323 9.212 1.00 0.00 H new ATOM 119 N TRP A 11 2.246 3.909 6.462 1.00 0.00 N ATOM 120 CA TRP A 11 2.273 3.476 5.088 1.00 0.00 C ATOM 121 C TRP A 11 1.671 4.515 4.153 1.00 0.00 C ATOM 122 O TRP A 11 2.147 4.708 3.038 1.00 0.00 O ATOM 123 CB TRP A 11 1.489 2.183 4.971 1.00 0.00 C ATOM 124 CG TRP A 11 0.130 2.258 5.614 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.241 1.804 6.854 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.049 2.806 5.026 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.584 2.031 7.056 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.098 2.648 5.949 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.316 3.416 3.803 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.394 3.076 5.681 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.598 3.840 3.536 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.625 3.668 4.470 1.00 0.00 C ATOM 0 H TRP A 11 1.374 3.701 6.949 1.00 0.00 H new ATOM 0 HA TRP A 11 3.313 3.330 4.795 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.373 1.929 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.059 1.376 5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.423 1.337 7.567 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.109 1.780 7.894 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.530 3.554 3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.188 2.946 6.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.815 4.313 2.590 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.621 4.010 4.230 1.00 0.00 H new ATOM 143 N TYR A 12 0.603 5.160 4.594 1.00 0.00 N ATOM 144 CA TYR A 12 -0.070 6.146 3.764 1.00 0.00 C ATOM 145 C TYR A 12 0.777 7.370 3.484 1.00 0.00 C ATOM 146 O TYR A 12 1.083 8.158 4.379 1.00 0.00 O ATOM 147 CB TYR A 12 -1.382 6.595 4.381 1.00 0.00 C ATOM 148 CG TYR A 12 -2.019 7.718 3.597 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.434 7.526 2.285 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.196 8.970 4.162 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.013 8.544 1.564 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.777 9.998 3.446 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.186 9.780 2.151 1.00 0.00 C ATOM 154 OH TYR A 12 -3.773 10.805 1.448 1.00 0.00 O ATOM 0 H TYR A 12 0.186 5.020 5.514 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.258 5.638 2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.069 5.750 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.208 6.921 5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.299 6.559 1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.875 9.145 5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.330 8.377 0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.910 10.969 3.901 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.285 11.372 2.062 1.00 0.00 H new ATOM 164 N ASN A 13 1.096 7.546 2.213 1.00 0.00 N ATOM 165 CA ASN A 13 1.841 8.696 1.757 1.00 0.00 C ATOM 166 C ASN A 13 1.182 9.215 0.490 1.00 0.00 C ATOM 167 O ASN A 13 1.460 8.729 -0.607 1.00 0.00 O ATOM 168 CB ASN A 13 3.292 8.312 1.465 1.00 0.00 C ATOM 169 CG ASN A 13 4.092 8.061 2.726 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.403 7.929 2.569 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 3.542 7.987 3.825 1.00 0.00 N flip ATOM 0 H ASN A 13 0.843 6.893 1.472 1.00 0.00 H new ATOM 0 HA ASN A 13 1.842 9.465 2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.309 7.417 0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.766 9.108 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.530 8.095 3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.098 7.818 4.663 1.00 0.00 H new ATOM 178 N LYS A 14 0.292 10.187 0.641 1.00 0.00 N ATOM 179 CA LYS A 14 -0.408 10.737 -0.494 1.00 0.00 C ATOM 180 C LYS A 14 0.485 11.678 -1.290 1.00 0.00 C ATOM 181 O LYS A 14 1.575 12.040 -0.846 1.00 0.00 O ATOM 182 CB LYS A 14 -1.669 11.454 -0.038 1.00 0.00 C ATOM 183 CG LYS A 14 -2.913 10.835 -0.621 1.00 0.00 C ATOM 184 CD LYS A 14 -4.079 11.810 -0.636 1.00 0.00 C ATOM 185 CE LYS A 14 -5.403 11.099 -0.411 1.00 0.00 C ATOM 186 NZ LYS A 14 -6.390 11.408 -1.482 1.00 0.00 N ATOM 0 H LYS A 14 0.044 10.604 1.538 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.690 9.913 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.727 11.428 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.615 12.503 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.709 10.498 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.185 9.953 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.934 12.564 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.104 12.334 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.235 10.023 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.813 11.393 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.140 12.017 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.912 11.900 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.809 10.523 -1.834 1.00 0.00 H new ATOM 200 N SER A 15 0.026 12.064 -2.474 1.00 0.00 N ATOM 201 CA SER A 15 0.793 12.956 -3.338 1.00 0.00 C ATOM 202 C SER A 15 2.099 12.292 -3.770 1.00 0.00 C ATOM 203 O SER A 15 2.778 12.765 -4.681 1.00 0.00 O ATOM 204 CB SER A 15 1.089 14.271 -2.616 1.00 0.00 C ATOM 205 OG SER A 15 2.125 14.109 -1.663 1.00 0.00 O ATOM 0 H SER A 15 -0.873 11.774 -2.859 1.00 0.00 H new ATOM 0 HA SER A 15 0.198 13.167 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.375 15.032 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.187 14.628 -2.119 1.00 0.00 H new ATOM 0 HG SER A 15 2.173 13.169 -1.388 1.00 0.00 H new ATOM 211 N ILE A 16 2.443 11.196 -3.100 1.00 0.00 N ATOM 212 CA ILE A 16 3.658 10.457 -3.387 1.00 0.00 C ATOM 213 C ILE A 16 3.676 9.904 -4.804 1.00 0.00 C ATOM 214 O ILE A 16 2.641 9.803 -5.463 1.00 0.00 O ATOM 215 CB ILE A 16 3.805 9.282 -2.410 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.036 9.465 -1.544 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.882 7.961 -3.157 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.664 8.153 -1.129 1.00 0.00 C ATOM 0 H ILE A 16 1.885 10.799 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 16 4.485 11.159 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 16 2.923 9.263 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.771 10.058 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.766 10.031 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.986 7.144 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.972 7.819 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.743 7.970 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.540 8.348 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.942 7.568 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.963 7.596 -2.017 1.00 0.00 H new ATOM 230 N SER A 17 4.867 9.527 -5.250 1.00 0.00 N ATOM 231 CA SER A 17 5.055 8.952 -6.573 1.00 0.00 C ATOM 232 C SER A 17 5.761 7.608 -6.452 1.00 0.00 C ATOM 233 O SER A 17 6.591 7.414 -5.564 1.00 0.00 O ATOM 234 CB SER A 17 5.866 9.896 -7.461 1.00 0.00 C ATOM 235 OG SER A 17 5.311 9.975 -8.763 1.00 0.00 O ATOM 0 H SER A 17 5.726 9.611 -4.707 1.00 0.00 H new ATOM 0 HA SER A 17 4.078 8.805 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.892 10.889 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.897 9.547 -7.522 1.00 0.00 H new ATOM 0 HG SER A 17 5.847 10.586 -9.311 1.00 0.00 H new ATOM 241 N ARG A 18 5.430 6.679 -7.338 1.00 0.00 N ATOM 242 CA ARG A 18 6.041 5.357 -7.308 1.00 0.00 C ATOM 243 C ARG A 18 7.561 5.466 -7.224 1.00 0.00 C ATOM 244 O ARG A 18 8.231 4.582 -6.691 1.00 0.00 O ATOM 245 CB ARG A 18 5.642 4.560 -8.550 1.00 0.00 C ATOM 246 CG ARG A 18 6.643 4.666 -9.689 1.00 0.00 C ATOM 247 CD ARG A 18 7.253 3.313 -10.022 1.00 0.00 C ATOM 248 NE ARG A 18 7.778 3.271 -11.384 1.00 0.00 N ATOM 249 CZ ARG A 18 9.054 3.485 -11.687 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.930 3.754 -10.729 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.455 3.431 -12.950 1.00 0.00 N ATOM 0 H ARG A 18 4.746 6.815 -8.082 1.00 0.00 H new ATOM 0 HA ARG A 18 5.681 4.835 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.525 3.511 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.670 4.909 -8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.149 5.071 -10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.433 5.366 -9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.055 3.093 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.499 2.535 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 18 7.130 3.066 -12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.625 3.797 -9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.909 3.918 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.784 3.225 -13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.435 3.595 -13.182 1.00 0.00 H new ATOM 265 N ASP A 19 8.097 6.554 -7.763 1.00 0.00 N ATOM 266 CA ASP A 19 9.538 6.786 -7.764 1.00 0.00 C ATOM 267 C ASP A 19 10.060 7.173 -6.379 1.00 0.00 C ATOM 268 O ASP A 19 11.133 6.729 -5.969 1.00 0.00 O ATOM 269 CB ASP A 19 9.893 7.880 -8.772 1.00 0.00 C ATOM 270 CG ASP A 19 9.653 7.445 -10.204 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.449 6.633 -10.721 1.00 0.00 O ATOM 272 OD2 ASP A 19 8.667 7.917 -10.810 1.00 0.00 O ATOM 0 H ASP A 19 7.553 7.294 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 19 10.017 5.849 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.301 8.771 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.940 8.157 -8.650 1.00 0.00 H new ATOM 277 N LYS A 20 9.314 8.020 -5.671 1.00 0.00 N ATOM 278 CA LYS A 20 9.732 8.478 -4.349 1.00 0.00 C ATOM 279 C LYS A 20 9.497 7.423 -3.273 1.00 0.00 C ATOM 280 O LYS A 20 10.390 7.128 -2.478 1.00 0.00 O ATOM 281 CB LYS A 20 8.995 9.764 -3.977 1.00 0.00 C ATOM 282 CG LYS A 20 9.008 10.811 -5.076 1.00 0.00 C ATOM 283 CD LYS A 20 7.696 10.826 -5.838 1.00 0.00 C ATOM 284 CE LYS A 20 6.916 12.105 -5.575 1.00 0.00 C ATOM 285 NZ LYS A 20 5.849 11.905 -4.555 1.00 0.00 N ATOM 0 H LYS A 20 8.423 8.400 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 20 10.804 8.668 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.961 9.522 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.447 10.186 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.191 11.794 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.829 10.609 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.893 10.731 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.095 9.965 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.599 12.884 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.468 12.455 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.935 11.768 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.070 11.066 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.797 12.741 -3.939 1.00 0.00 H new ATOM 299 N ALA A 21 8.290 6.872 -3.233 1.00 0.00 N ATOM 300 CA ALA A 21 7.960 5.873 -2.225 1.00 0.00 C ATOM 301 C ALA A 21 9.015 4.768 -2.165 1.00 0.00 C ATOM 302 O ALA A 21 9.401 4.321 -1.084 1.00 0.00 O ATOM 303 CB ALA A 21 6.573 5.297 -2.457 1.00 0.00 C ATOM 0 H ALA A 21 7.532 7.096 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 21 7.955 6.373 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.354 4.554 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.834 6.097 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.534 4.826 -3.439 1.00 0.00 H new ATOM 309 N GLU A 22 9.503 4.336 -3.318 1.00 0.00 N ATOM 310 CA GLU A 22 10.527 3.305 -3.342 1.00 0.00 C ATOM 311 C GLU A 22 11.754 3.797 -2.587 1.00 0.00 C ATOM 312 O GLU A 22 12.258 3.130 -1.681 1.00 0.00 O ATOM 313 CB GLU A 22 10.896 2.944 -4.783 1.00 0.00 C ATOM 314 CG GLU A 22 9.760 2.299 -5.559 1.00 0.00 C ATOM 315 CD GLU A 22 10.191 1.819 -6.932 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.302 1.259 -7.043 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.417 2.002 -7.894 1.00 0.00 O ATOM 0 H GLU A 22 9.212 4.677 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 22 10.141 2.407 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.214 3.847 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.748 2.265 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.369 1.456 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.946 3.016 -5.668 1.00 0.00 H new ATOM 324 N LYS A 23 12.211 4.989 -2.957 1.00 0.00 N ATOM 325 CA LYS A 23 13.360 5.605 -2.312 1.00 0.00 C ATOM 326 C LYS A 23 13.057 5.872 -0.844 1.00 0.00 C ATOM 327 O LYS A 23 13.847 5.532 0.037 1.00 0.00 O ATOM 328 CB LYS A 23 13.713 6.917 -3.009 1.00 0.00 C ATOM 329 CG LYS A 23 12.552 7.895 -3.073 1.00 0.00 C ATOM 330 CD LYS A 23 13.003 9.270 -3.539 1.00 0.00 C ATOM 331 CE LYS A 23 12.030 10.353 -3.104 1.00 0.00 C ATOM 332 NZ LYS A 23 11.656 11.249 -4.232 1.00 0.00 N ATOM 0 H LYS A 23 11.799 5.548 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 23 14.207 4.922 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.546 7.386 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.054 6.702 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.790 7.512 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.090 7.977 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.993 9.485 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.093 9.276 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.132 9.891 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.478 10.943 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.816 11.804 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.445 11.893 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.445 10.677 -5.074 1.00 0.00 H new ATOM 346 N LEU A 24 11.903 6.484 -0.590 1.00 0.00 N ATOM 347 CA LEU A 24 11.494 6.792 0.773 1.00 0.00 C ATOM 348 C LEU A 24 11.230 5.505 1.549 1.00 0.00 C ATOM 349 O LEU A 24 11.456 5.443 2.757 1.00 0.00 O ATOM 350 CB LEU A 24 10.265 7.712 0.771 1.00 0.00 C ATOM 351 CG LEU A 24 8.941 7.066 1.184 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.785 8.007 0.891 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.744 5.747 0.462 1.00 0.00 C ATOM 0 H LEU A 24 11.239 6.774 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 24 12.303 7.324 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.462 8.549 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.147 8.126 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 24 8.970 6.870 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.848 7.536 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.919 8.933 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.757 8.227 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.797 5.302 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.732 5.919 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.561 5.070 0.712 1.00 0.00 H new ATOM 365 N LEU A 25 10.780 4.466 0.844 1.00 0.00 N ATOM 366 CA LEU A 25 10.527 3.177 1.476 1.00 0.00 C ATOM 367 C LEU A 25 11.846 2.453 1.708 1.00 0.00 C ATOM 368 O LEU A 25 12.085 1.891 2.776 1.00 0.00 O ATOM 369 CB LEU A 25 9.612 2.309 0.608 1.00 0.00 C ATOM 370 CG LEU A 25 8.120 2.417 0.921 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.325 2.612 -0.358 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.637 1.180 1.670 1.00 0.00 C ATOM 0 H LEU A 25 10.585 4.494 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 25 10.030 3.355 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.768 2.578 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.915 1.268 0.718 1.00 0.00 H new ATOM 0 HG LEU A 25 7.963 3.285 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.264 2.687 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.651 3.527 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.488 1.762 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.572 1.276 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.805 0.295 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.187 1.083 2.606 1.00 0.00 H new ATOM 384 N LEU A 26 12.700 2.477 0.690 1.00 0.00 N ATOM 385 CA LEU A 26 14.003 1.828 0.762 1.00 0.00 C ATOM 386 C LEU A 26 14.856 2.421 1.872 1.00 0.00 C ATOM 387 O LEU A 26 15.631 1.717 2.520 1.00 0.00 O ATOM 388 CB LEU A 26 14.728 1.971 -0.565 1.00 0.00 C ATOM 389 CG LEU A 26 15.355 0.688 -1.088 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.323 -0.120 -1.854 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.556 1.011 -1.959 1.00 0.00 C ATOM 0 H LEU A 26 12.511 2.941 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 26 13.839 0.773 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.025 2.345 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.509 2.724 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 26 15.700 0.087 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.781 -1.037 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.493 -0.370 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.953 0.466 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.997 0.085 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.239 1.624 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.295 1.556 -1.372 1.00 0.00 H new ATOM 403 N ASP A 27 14.712 3.721 2.081 1.00 0.00 N ATOM 404 CA ASP A 27 15.477 4.413 3.111 1.00 0.00 C ATOM 405 C ASP A 27 15.311 3.709 4.450 1.00 0.00 C ATOM 406 O ASP A 27 16.164 3.815 5.331 1.00 0.00 O ATOM 407 CB ASP A 27 15.022 5.870 3.223 1.00 0.00 C ATOM 408 CG ASP A 27 15.722 6.773 2.228 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.500 6.254 1.400 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.492 7.999 2.275 1.00 0.00 O ATOM 0 H ASP A 27 14.075 4.318 1.554 1.00 0.00 H new ATOM 0 HA ASP A 27 16.531 4.396 2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.945 5.925 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.213 6.231 4.234 1.00 0.00 H new ATOM 415 N THR A 28 14.213 2.975 4.587 1.00 0.00 N ATOM 416 CA THR A 28 13.934 2.234 5.807 1.00 0.00 C ATOM 417 C THR A 28 14.501 0.823 5.712 1.00 0.00 C ATOM 418 O THR A 28 14.903 0.232 6.715 1.00 0.00 O ATOM 419 CB THR A 28 12.428 2.172 6.059 1.00 0.00 C ATOM 420 OG1 THR A 28 12.151 2.152 7.447 1.00 0.00 O ATOM 421 CG2 THR A 28 11.769 0.959 5.441 1.00 0.00 C ATOM 0 H THR A 28 13.500 2.878 3.864 1.00 0.00 H new ATOM 0 HA THR A 28 14.411 2.751 6.640 1.00 0.00 H new ATOM 0 HB THR A 28 12.019 3.067 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.182 2.114 7.587 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.701 0.976 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.921 0.972 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.209 0.053 5.858 1.00 0.00 H new ATOM 429 N GLY A 29 14.527 0.285 4.495 1.00 0.00 N ATOM 430 CA GLY A 29 15.042 -1.056 4.289 1.00 0.00 C ATOM 431 C GLY A 29 14.445 -2.044 5.266 1.00 0.00 C ATOM 432 O GLY A 29 15.048 -2.353 6.294 1.00 0.00 O ATOM 0 H GLY A 29 14.201 0.754 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.825 -1.376 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.127 -1.049 4.396 1.00 0.00 H new ATOM 436 N LYS A 30 13.248 -2.526 4.958 1.00 0.00 N ATOM 437 CA LYS A 30 12.563 -3.466 5.829 1.00 0.00 C ATOM 438 C LYS A 30 11.924 -4.593 5.031 1.00 0.00 C ATOM 439 O LYS A 30 11.758 -4.487 3.816 1.00 0.00 O ATOM 440 CB LYS A 30 11.496 -2.728 6.619 1.00 0.00 C ATOM 441 CG LYS A 30 11.974 -1.366 7.050 1.00 0.00 C ATOM 442 CD LYS A 30 12.267 -1.309 8.533 1.00 0.00 C ATOM 443 CE LYS A 30 11.075 -0.785 9.317 1.00 0.00 C ATOM 444 NZ LYS A 30 10.306 -1.886 9.961 1.00 0.00 N ATOM 0 H LYS A 30 12.734 -2.281 4.112 1.00 0.00 H new ATOM 0 HA LYS A 30 13.294 -3.906 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.598 -2.624 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.221 -3.313 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.874 -1.105 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.218 -0.621 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.530 -2.304 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.130 -0.668 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.421 -0.089 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.419 -0.226 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.305 -1.613 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.388 -2.749 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.687 -2.066 10.912 1.00 0.00 H new ATOM 458 N GLU A 31 11.555 -5.666 5.718 1.00 0.00 N ATOM 459 CA GLU A 31 10.920 -6.796 5.059 1.00 0.00 C ATOM 460 C GLU A 31 9.425 -6.545 4.898 1.00 0.00 C ATOM 461 O GLU A 31 8.671 -6.579 5.870 1.00 0.00 O ATOM 462 CB GLU A 31 11.152 -8.080 5.859 1.00 0.00 C ATOM 463 CG GLU A 31 11.188 -9.333 5.002 1.00 0.00 C ATOM 464 CD GLU A 31 12.020 -10.439 5.619 1.00 0.00 C ATOM 465 OE1 GLU A 31 13.103 -10.135 6.162 1.00 0.00 O ATOM 466 OE2 GLU A 31 11.589 -11.610 5.563 1.00 0.00 O ATOM 0 H GLU A 31 11.684 -5.776 6.724 1.00 0.00 H new ATOM 0 HA GLU A 31 11.365 -6.913 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.093 -7.994 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.362 -8.182 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.171 -9.692 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.591 -9.085 4.020 1.00 0.00 H new ATOM 473 N GLY A 32 9.002 -6.298 3.663 1.00 0.00 N ATOM 474 CA GLY A 32 7.600 -6.052 3.398 1.00 0.00 C ATOM 475 C GLY A 32 7.145 -4.667 3.817 1.00 0.00 C ATOM 476 O GLY A 32 6.015 -4.496 4.276 1.00 0.00 O ATOM 0 H GLY A 32 9.606 -6.264 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.410 -6.183 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.002 -6.798 3.922 1.00 0.00 H new ATOM 480 N ALA A 33 8.008 -3.668 3.644 1.00 0.00 N ATOM 481 CA ALA A 33 7.653 -2.299 3.994 1.00 0.00 C ATOM 482 C ALA A 33 6.461 -1.861 3.166 1.00 0.00 C ATOM 483 O ALA A 33 6.397 -2.137 1.968 1.00 0.00 O ATOM 484 CB ALA A 33 8.828 -1.367 3.785 1.00 0.00 C ATOM 0 H ALA A 33 8.949 -3.781 3.267 1.00 0.00 H new ATOM 0 HA ALA A 33 7.386 -2.259 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.539 -0.351 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.661 -1.685 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.132 -1.394 2.739 1.00 0.00 H new ATOM 490 N PHE A 34 5.500 -1.218 3.812 1.00 0.00 N ATOM 491 CA PHE A 34 4.294 -0.796 3.129 1.00 0.00 C ATOM 492 C PHE A 34 4.031 0.698 3.223 1.00 0.00 C ATOM 493 O PHE A 34 4.366 1.352 4.205 1.00 0.00 O ATOM 494 CB PHE A 34 3.110 -1.529 3.715 1.00 0.00 C ATOM 495 CG PHE A 34 1.827 -0.804 3.477 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.359 -0.624 2.192 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.077 -0.320 4.526 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.171 0.035 1.957 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.099 0.324 4.298 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.560 0.512 3.017 1.00 0.00 C ATOM 0 H PHE A 34 5.534 -0.980 4.803 1.00 0.00 H new ATOM 0 HA PHE A 34 4.436 -1.032 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.049 -2.526 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.259 -1.659 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.931 -1.004 1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.426 -0.453 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.182 0.175 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.677 0.692 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.491 1.032 2.845 1.00 0.00 H new ATOM 510 N MET A 35 3.387 1.212 2.187 1.00 0.00 N ATOM 511 CA MET A 35 3.018 2.615 2.118 1.00 0.00 C ATOM 512 C MET A 35 1.836 2.780 1.179 1.00 0.00 C ATOM 513 O MET A 35 1.429 1.830 0.514 1.00 0.00 O ATOM 514 CB MET A 35 4.194 3.456 1.633 1.00 0.00 C ATOM 515 CG MET A 35 4.003 4.950 1.786 1.00 0.00 C ATOM 516 SD MET A 35 5.318 5.878 0.993 1.00 0.00 S ATOM 517 CE MET A 35 6.610 5.602 2.192 1.00 0.00 C ATOM 0 H MET A 35 3.106 0.668 1.371 1.00 0.00 H new ATOM 0 HA MET A 35 2.741 2.958 3.115 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.088 3.159 2.182 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.376 3.232 0.582 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.044 5.239 1.356 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.967 5.205 2.845 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.171 6.525 2.342 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.168 5.289 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.282 4.824 1.830 1.00 0.00 H new ATOM 527 N VAL A 36 1.296 3.983 1.115 1.00 0.00 N ATOM 528 CA VAL A 36 0.164 4.248 0.235 1.00 0.00 C ATOM 529 C VAL A 36 0.229 5.655 -0.342 1.00 0.00 C ATOM 530 O VAL A 36 0.774 6.567 0.277 1.00 0.00 O ATOM 531 CB VAL A 36 -1.187 4.037 0.946 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.340 4.470 0.054 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.338 2.580 1.356 1.00 0.00 C ATOM 0 H VAL A 36 1.616 4.787 1.654 1.00 0.00 H new ATOM 0 HA VAL A 36 0.232 3.528 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.209 4.655 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.283 4.312 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.233 5.527 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.331 3.882 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.296 2.441 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.297 1.947 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.530 2.307 2.035 1.00 0.00 H new ATOM 543 N ARG A 37 -0.313 5.820 -1.541 1.00 0.00 N ATOM 544 CA ARG A 37 -0.298 7.115 -2.207 1.00 0.00 C ATOM 545 C ARG A 37 -1.543 7.303 -3.071 1.00 0.00 C ATOM 546 O ARG A 37 -1.816 6.508 -3.970 1.00 0.00 O ATOM 547 CB ARG A 37 0.976 7.246 -3.045 1.00 0.00 C ATOM 548 CG ARG A 37 0.768 7.053 -4.536 1.00 0.00 C ATOM 549 CD ARG A 37 1.799 6.094 -5.104 1.00 0.00 C ATOM 550 NE ARG A 37 1.713 5.986 -6.560 1.00 0.00 N ATOM 551 CZ ARG A 37 1.878 7.011 -7.389 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.152 8.216 -6.914 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.774 6.829 -8.698 1.00 0.00 N ATOM 0 H ARG A 37 -0.767 5.076 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.306 7.900 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.408 8.232 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.704 6.514 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.235 6.668 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.839 8.014 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.798 6.430 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.659 5.109 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 37 1.515 5.070 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.237 8.360 -5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.278 9.000 -7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.567 5.902 -9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.901 7.616 -9.334 1.00 0.00 H new ATOM 567 N ASP A 38 -2.303 8.352 -2.780 1.00 0.00 N ATOM 568 CA ASP A 38 -3.529 8.638 -3.515 1.00 0.00 C ATOM 569 C ASP A 38 -3.258 8.842 -5.002 1.00 0.00 C ATOM 570 O ASP A 38 -2.198 9.331 -5.393 1.00 0.00 O ATOM 571 CB ASP A 38 -4.222 9.875 -2.941 1.00 0.00 C ATOM 572 CG ASP A 38 -5.589 10.108 -3.553 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.555 9.443 -3.121 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.694 10.956 -4.464 1.00 0.00 O ATOM 0 H ASP A 38 -2.091 9.020 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.184 7.774 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.325 9.763 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.596 10.751 -3.112 1.00 0.00 H new ATOM 579 N SER A 39 -4.231 8.462 -5.824 1.00 0.00 N ATOM 580 CA SER A 39 -4.117 8.599 -7.269 1.00 0.00 C ATOM 581 C SER A 39 -5.240 9.475 -7.819 1.00 0.00 C ATOM 582 O SER A 39 -5.831 10.271 -7.090 1.00 0.00 O ATOM 583 CB SER A 39 -4.154 7.221 -7.933 1.00 0.00 C ATOM 584 OG SER A 39 -4.499 7.324 -9.304 1.00 0.00 O ATOM 0 H SER A 39 -5.112 8.055 -5.510 1.00 0.00 H new ATOM 0 HA SER A 39 -3.164 9.078 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.181 6.740 -7.835 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.876 6.586 -7.420 1.00 0.00 H new ATOM 0 HG SER A 39 -3.955 6.698 -9.826 1.00 0.00 H new ATOM 590 N ARG A 40 -5.530 9.322 -9.108 1.00 0.00 N ATOM 591 CA ARG A 40 -6.585 10.098 -9.751 1.00 0.00 C ATOM 592 C ARG A 40 -7.735 9.192 -10.183 1.00 0.00 C ATOM 593 O ARG A 40 -8.851 9.654 -10.417 1.00 0.00 O ATOM 594 CB ARG A 40 -6.029 10.849 -10.962 1.00 0.00 C ATOM 595 CG ARG A 40 -6.223 12.354 -10.886 1.00 0.00 C ATOM 596 CD ARG A 40 -6.005 12.873 -9.474 1.00 0.00 C ATOM 597 NE ARG A 40 -4.951 13.883 -9.418 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.113 15.138 -9.822 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.282 15.536 -10.307 1.00 0.00 N ATOM 600 NH2 ARG A 40 -4.107 15.997 -9.741 1.00 0.00 N ATOM 0 H ARG A 40 -5.050 8.669 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.965 10.821 -9.029 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.965 10.633 -11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.512 10.474 -11.865 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.529 12.846 -11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.230 12.609 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.935 13.298 -9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.746 12.042 -8.818 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.041 13.609 -9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.059 14.878 -10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.404 16.500 -10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.207 15.695 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.233 16.960 -10.052 1.00 0.00 H new ATOM 614 N THR A 41 -7.448 7.900 -10.282 1.00 0.00 N ATOM 615 CA THR A 41 -8.447 6.915 -10.680 1.00 0.00 C ATOM 616 C THR A 41 -9.744 7.102 -9.885 1.00 0.00 C ATOM 617 O THR A 41 -9.960 8.157 -9.287 1.00 0.00 O ATOM 618 CB THR A 41 -7.876 5.509 -10.488 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.381 4.616 -11.465 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.165 4.924 -9.124 1.00 0.00 C ATOM 0 H THR A 41 -6.526 7.508 -10.091 1.00 0.00 H new ATOM 0 HA THR A 41 -8.691 7.055 -11.733 1.00 0.00 H new ATOM 0 HB THR A 41 -6.797 5.624 -10.590 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.130 3.698 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.731 3.926 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.729 5.562 -8.355 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.243 4.862 -8.976 1.00 0.00 H new ATOM 628 N PRO A 42 -10.637 6.092 -9.877 1.00 0.00 N ATOM 629 CA PRO A 42 -11.919 6.163 -9.166 1.00 0.00 C ATOM 630 C PRO A 42 -11.845 6.863 -7.806 1.00 0.00 C ATOM 631 O PRO A 42 -12.875 7.107 -7.177 1.00 0.00 O ATOM 632 CB PRO A 42 -12.283 4.694 -8.998 1.00 0.00 C ATOM 633 CG PRO A 42 -11.747 4.050 -10.229 1.00 0.00 C ATOM 634 CD PRO A 42 -10.484 4.798 -10.576 1.00 0.00 C ATOM 0 HA PRO A 42 -12.649 6.757 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.835 4.272 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.361 4.557 -8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.540 2.994 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.469 4.105 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.597 4.263 -10.238 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.383 4.934 -11.653 1.00 0.00 H new ATOM 642 N GLY A 43 -10.639 7.196 -7.354 1.00 0.00 N ATOM 643 CA GLY A 43 -10.501 7.873 -6.076 1.00 0.00 C ATOM 644 C GLY A 43 -9.824 7.026 -5.022 1.00 0.00 C ATOM 645 O GLY A 43 -9.896 7.327 -3.831 1.00 0.00 O ATOM 0 H GLY A 43 -9.763 7.012 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.929 8.790 -6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.488 8.165 -5.719 1.00 0.00 H new ATOM 649 N THR A 44 -9.167 5.968 -5.461 1.00 0.00 N ATOM 650 CA THR A 44 -8.470 5.069 -4.554 1.00 0.00 C ATOM 651 C THR A 44 -7.127 5.647 -4.130 1.00 0.00 C ATOM 652 O THR A 44 -6.844 6.826 -4.340 1.00 0.00 O ATOM 653 CB THR A 44 -8.237 3.723 -5.235 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.915 3.269 -5.008 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.451 3.775 -6.730 1.00 0.00 C ATOM 0 H THR A 44 -9.100 5.708 -6.445 1.00 0.00 H new ATOM 0 HA THR A 44 -9.092 4.939 -3.668 1.00 0.00 H new ATOM 0 HB THR A 44 -8.967 3.042 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.742 2.478 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.271 2.789 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.476 4.080 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.761 4.494 -7.172 1.00 0.00 H new ATOM 663 N TYR A 45 -6.298 4.788 -3.552 1.00 0.00 N ATOM 664 CA TYR A 45 -4.968 5.173 -3.113 1.00 0.00 C ATOM 665 C TYR A 45 -3.955 4.123 -3.557 1.00 0.00 C ATOM 666 O TYR A 45 -4.317 2.983 -3.860 1.00 0.00 O ATOM 667 CB TYR A 45 -4.900 5.350 -1.592 1.00 0.00 C ATOM 668 CG TYR A 45 -6.076 6.072 -0.995 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.366 5.662 -1.269 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.891 7.149 -0.143 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.453 6.309 -0.715 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.969 7.803 0.420 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.249 7.380 0.130 1.00 0.00 C ATOM 674 OH TYR A 45 -9.328 8.028 0.687 1.00 0.00 O ATOM 0 H TYR A 45 -6.529 3.810 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.731 6.134 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.819 4.367 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.990 5.896 -1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.527 4.821 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.889 7.482 0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.456 5.979 -0.942 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.811 8.640 1.083 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.178 8.147 1.648 1.00 0.00 H new ATOM 684 N THR A 46 -2.692 4.510 -3.598 1.00 0.00 N ATOM 685 CA THR A 46 -1.627 3.604 -3.995 1.00 0.00 C ATOM 686 C THR A 46 -0.978 3.004 -2.754 1.00 0.00 C ATOM 687 O THR A 46 -1.024 3.604 -1.684 1.00 0.00 O ATOM 688 CB THR A 46 -0.586 4.343 -4.832 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.210 5.100 -5.854 1.00 0.00 O ATOM 690 CG2 THR A 46 0.412 3.417 -5.490 1.00 0.00 C ATOM 0 H THR A 46 -2.377 5.451 -3.360 1.00 0.00 H new ATOM 0 HA THR A 46 -2.049 2.802 -4.601 1.00 0.00 H new ATOM 0 HB THR A 46 -0.055 4.989 -4.133 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.751 5.811 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.125 4.003 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.944 2.853 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.113 2.727 -6.150 1.00 0.00 H new ATOM 698 N VAL A 47 -0.385 1.822 -2.888 1.00 0.00 N ATOM 699 CA VAL A 47 0.256 1.167 -1.753 1.00 0.00 C ATOM 700 C VAL A 47 1.710 0.825 -2.045 1.00 0.00 C ATOM 701 O VAL A 47 2.004 -0.036 -2.870 1.00 0.00 O ATOM 702 CB VAL A 47 -0.476 -0.123 -1.338 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.424 -0.979 -0.458 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.780 0.205 -0.628 1.00 0.00 C ATOM 0 H VAL A 47 -0.335 1.301 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 47 0.208 1.884 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.718 -0.691 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.105 -1.888 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.327 -1.243 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.696 -0.420 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.282 -0.720 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.570 0.794 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.424 0.776 -1.296 1.00 0.00 H new ATOM 714 N SER A 48 2.615 1.490 -1.344 1.00 0.00 N ATOM 715 CA SER A 48 4.040 1.243 -1.509 1.00 0.00 C ATOM 716 C SER A 48 4.460 0.070 -0.633 1.00 0.00 C ATOM 717 O SER A 48 4.423 0.159 0.595 1.00 0.00 O ATOM 718 CB SER A 48 4.849 2.489 -1.135 1.00 0.00 C ATOM 719 OG SER A 48 4.062 3.661 -1.251 1.00 0.00 O ATOM 0 H SER A 48 2.388 2.206 -0.654 1.00 0.00 H new ATOM 0 HA SER A 48 4.236 1.004 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.218 2.394 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.722 2.568 -1.783 1.00 0.00 H new ATOM 0 HG SER A 48 4.148 4.024 -2.157 1.00 0.00 H new ATOM 725 N VAL A 49 4.846 -1.030 -1.265 1.00 0.00 N ATOM 726 CA VAL A 49 5.264 -2.219 -0.534 1.00 0.00 C ATOM 727 C VAL A 49 6.635 -2.688 -1.007 1.00 0.00 C ATOM 728 O VAL A 49 6.822 -2.986 -2.186 1.00 0.00 O ATOM 729 CB VAL A 49 4.248 -3.367 -0.696 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.868 -2.821 -1.032 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.713 -4.349 -1.761 1.00 0.00 C ATOM 0 H VAL A 49 4.878 -1.124 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 49 5.317 -1.947 0.520 1.00 0.00 H new ATOM 0 HB VAL A 49 4.181 -3.900 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.166 -3.648 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.532 -2.164 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.916 -2.259 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.982 -5.152 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.814 -3.831 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.676 -4.769 -1.473 1.00 0.00 H new ATOM 741 N PHE A 50 7.597 -2.746 -0.088 1.00 0.00 N ATOM 742 CA PHE A 50 8.945 -3.174 -0.444 1.00 0.00 C ATOM 743 C PHE A 50 9.517 -4.155 0.576 1.00 0.00 C ATOM 744 O PHE A 50 9.264 -4.046 1.777 1.00 0.00 O ATOM 745 CB PHE A 50 9.863 -1.958 -0.602 1.00 0.00 C ATOM 746 CG PHE A 50 10.653 -1.596 0.627 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.140 -0.713 1.562 1.00 0.00 C ATOM 748 CD2 PHE A 50 11.919 -2.119 0.831 1.00 0.00 C ATOM 749 CE1 PHE A 50 10.873 -0.357 2.678 1.00 0.00 C ATOM 750 CE2 PHE A 50 12.658 -1.769 1.946 1.00 0.00 C ATOM 751 CZ PHE A 50 12.134 -0.884 2.872 1.00 0.00 C ATOM 0 H PHE A 50 7.470 -2.505 0.895 1.00 0.00 H new ATOM 0 HA PHE A 50 8.886 -3.698 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.558 -2.150 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.258 -1.099 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.154 -0.297 1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.334 -2.808 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.459 0.333 3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.643 -2.186 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.709 -0.607 3.743 1.00 0.00 H new ATOM 761 N THR A 51 10.283 -5.124 0.074 1.00 0.00 N ATOM 762 CA THR A 51 10.891 -6.145 0.921 1.00 0.00 C ATOM 763 C THR A 51 12.284 -6.519 0.435 1.00 0.00 C ATOM 764 O THR A 51 12.434 -7.172 -0.597 1.00 0.00 O ATOM 765 CB THR A 51 10.028 -7.403 0.936 1.00 0.00 C ATOM 766 OG1 THR A 51 8.797 -7.167 1.592 1.00 0.00 O ATOM 767 CG2 THR A 51 10.699 -8.575 1.616 1.00 0.00 C ATOM 0 H THR A 51 10.496 -5.221 -0.919 1.00 0.00 H new ATOM 0 HA THR A 51 10.967 -5.727 1.925 1.00 0.00 H new ATOM 0 HB THR A 51 9.866 -7.654 -0.112 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.101 -6.984 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.034 -9.438 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.625 -8.817 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.922 -8.316 2.651 1.00 0.00 H new ATOM 775 N LYS A 52 13.300 -6.120 1.187 1.00 0.00 N ATOM 776 CA LYS A 52 14.666 -6.440 0.824 1.00 0.00 C ATOM 777 C LYS A 52 14.699 -7.734 0.020 1.00 0.00 C ATOM 778 O LYS A 52 14.501 -8.824 0.556 1.00 0.00 O ATOM 779 CB LYS A 52 15.534 -6.577 2.077 1.00 0.00 C ATOM 780 CG LYS A 52 16.306 -7.885 2.142 1.00 0.00 C ATOM 781 CD LYS A 52 17.251 -7.916 3.333 1.00 0.00 C ATOM 782 CE LYS A 52 18.319 -6.839 3.223 1.00 0.00 C ATOM 783 NZ LYS A 52 18.305 -5.922 4.396 1.00 0.00 N ATOM 0 H LYS A 52 13.202 -5.578 2.046 1.00 0.00 H new ATOM 0 HA LYS A 52 15.065 -5.630 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.239 -5.746 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.899 -6.495 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.607 -8.718 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.874 -8.019 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.684 -7.775 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.725 -8.895 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.300 -7.307 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.162 -6.264 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.047 -5.202 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.378 -5.456 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.480 -6.467 5.265 1.00 0.00 H new ATOM 797 N ALA A 53 14.947 -7.591 -1.274 1.00 0.00 N ATOM 798 CA ALA A 53 15.004 -8.727 -2.175 1.00 0.00 C ATOM 799 C ALA A 53 15.796 -8.388 -3.435 1.00 0.00 C ATOM 800 O ALA A 53 16.806 -7.688 -3.373 1.00 0.00 O ATOM 801 CB ALA A 53 13.592 -9.166 -2.525 1.00 0.00 C ATOM 0 H ALA A 53 15.113 -6.691 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 53 15.519 -9.548 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.634 -10.019 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.063 -9.450 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.065 -8.344 -3.009 1.00 0.00 H new ATOM 807 N ILE A 54 15.335 -8.890 -4.576 1.00 0.00 N ATOM 808 CA ILE A 54 16.006 -8.639 -5.846 1.00 0.00 C ATOM 809 C ILE A 54 17.521 -8.695 -5.686 1.00 0.00 C ATOM 810 O ILE A 54 18.193 -7.664 -5.688 1.00 0.00 O ATOM 811 CB ILE A 54 15.614 -7.268 -6.431 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.096 -7.166 -6.576 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.295 -7.052 -7.775 1.00 0.00 C ATOM 814 CD1 ILE A 54 13.361 -7.190 -5.255 1.00 0.00 C ATOM 0 H ILE A 54 14.501 -9.472 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 54 15.685 -9.422 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 54 15.948 -6.489 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.850 -6.244 -7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.742 -7.990 -7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.009 -6.080 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.377 -7.086 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 54 15.988 -7.835 -8.468 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.288 -7.114 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.577 -8.124 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.687 -6.350 -4.642 1.00 0.00 H new ATOM 826 N ILE A 55 18.053 -9.905 -5.546 1.00 0.00 N ATOM 827 CA ILE A 55 19.490 -10.091 -5.386 1.00 0.00 C ATOM 828 C ILE A 55 20.268 -9.095 -6.237 1.00 0.00 C ATOM 829 O ILE A 55 21.414 -8.764 -5.932 1.00 0.00 O ATOM 830 CB ILE A 55 19.919 -11.521 -5.766 1.00 0.00 C ATOM 831 CG1 ILE A 55 19.043 -12.549 -5.047 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.386 -11.741 -5.432 1.00 0.00 C ATOM 833 CD1 ILE A 55 19.787 -13.353 -4.003 1.00 0.00 C ATOM 0 H ILE A 55 17.512 -10.769 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 55 19.716 -9.922 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 55 19.788 -11.649 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.209 -12.034 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.618 -13.231 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.673 -12.756 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.996 -11.028 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.541 -11.597 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.104 -14.061 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.605 -13.896 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.189 -12.681 -3.245 1.00 0.00 H new ATOM 845 N SER A 56 19.636 -8.620 -7.306 1.00 0.00 N ATOM 846 CA SER A 56 20.268 -7.657 -8.201 1.00 0.00 C ATOM 847 C SER A 56 20.580 -6.359 -7.467 1.00 0.00 C ATOM 848 O SER A 56 21.723 -5.899 -7.457 1.00 0.00 O ATOM 849 CB SER A 56 19.363 -7.375 -9.401 1.00 0.00 C ATOM 850 OG SER A 56 18.935 -8.580 -10.013 1.00 0.00 O ATOM 0 H SER A 56 18.688 -8.886 -7.573 1.00 0.00 H new ATOM 0 HA SER A 56 21.205 -8.087 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.495 -6.799 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.898 -6.764 -10.128 1.00 0.00 H new ATOM 0 HG SER A 56 18.357 -8.372 -10.776 1.00 0.00 H new ATOM 856 N GLU A 57 19.557 -5.772 -6.853 1.00 0.00 N ATOM 857 CA GLU A 57 19.722 -4.526 -6.112 1.00 0.00 C ATOM 858 C GLU A 57 18.525 -3.603 -6.322 1.00 0.00 C ATOM 859 O GLU A 57 18.223 -3.209 -7.448 1.00 0.00 O ATOM 860 CB GLU A 57 21.007 -3.817 -6.545 1.00 0.00 C ATOM 861 CG GLU A 57 20.974 -2.313 -6.335 1.00 0.00 C ATOM 862 CD GLU A 57 21.451 -1.906 -4.955 1.00 0.00 C ATOM 863 OE1 GLU A 57 22.527 -2.381 -4.534 1.00 0.00 O ATOM 864 OE2 GLU A 57 20.750 -1.111 -4.294 1.00 0.00 O ATOM 0 H GLU A 57 18.605 -6.139 -6.854 1.00 0.00 H new ATOM 0 HA GLU A 57 19.788 -4.771 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 57 21.847 -4.234 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 57 21.188 -4.024 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.598 -1.831 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 57 19.957 -1.951 -6.485 1.00 0.00 H new ATOM 871 N ASN A 58 17.852 -3.259 -5.228 1.00 0.00 N ATOM 872 CA ASN A 58 16.694 -2.375 -5.291 1.00 0.00 C ATOM 873 C ASN A 58 16.388 -1.781 -3.918 1.00 0.00 C ATOM 874 O ASN A 58 16.420 -0.563 -3.744 1.00 0.00 O ATOM 875 CB ASN A 58 15.476 -3.125 -5.831 1.00 0.00 C ATOM 876 CG ASN A 58 15.014 -2.585 -7.171 1.00 0.00 C ATOM 877 OD1 ASN A 58 13.823 -2.358 -7.384 1.00 0.00 O ATOM 878 ND2 ASN A 58 15.958 -2.378 -8.081 1.00 0.00 N ATOM 0 H ASN A 58 18.089 -3.579 -4.289 1.00 0.00 H new ATOM 0 HA ASN A 58 16.929 -1.557 -5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.719 -4.183 -5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.660 -3.053 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.708 -2.016 -9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.933 -2.581 -7.860 1.00 0.00 H new ATOM 885 N PRO A 59 16.084 -2.630 -2.920 1.00 0.00 N ATOM 886 CA PRO A 59 16.032 -4.085 -3.075 1.00 0.00 C ATOM 887 C PRO A 59 14.731 -4.557 -3.718 1.00 0.00 C ATOM 888 O PRO A 59 14.741 -5.147 -4.798 1.00 0.00 O ATOM 889 CB PRO A 59 16.125 -4.605 -1.629 1.00 0.00 C ATOM 890 CG PRO A 59 16.329 -3.397 -0.769 1.00 0.00 C ATOM 891 CD PRO A 59 15.770 -2.245 -1.546 1.00 0.00 C ATOM 0 HA PRO A 59 16.825 -4.448 -3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.216 -5.136 -1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.952 -5.307 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.819 -3.508 0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.386 -3.246 -0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 59 14.698 -2.128 -1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.238 -1.300 -1.269 1.00 0.00 H new ATOM 899 N CYS A 60 13.608 -4.302 -3.049 1.00 0.00 N ATOM 900 CA CYS A 60 12.307 -4.713 -3.570 1.00 0.00 C ATOM 901 C CYS A 60 11.193 -3.764 -3.131 1.00 0.00 C ATOM 902 O CYS A 60 10.607 -3.942 -2.065 1.00 0.00 O ATOM 903 CB CYS A 60 11.976 -6.135 -3.113 1.00 0.00 C ATOM 904 SG CYS A 60 10.807 -7.003 -4.186 1.00 0.00 S ATOM 0 H CYS A 60 13.573 -3.817 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 60 12.370 -4.682 -4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.899 -6.712 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.565 -6.094 -2.104 1.00 0.00 H new ATOM 0 HG CYS A 60 10.592 -8.197 -3.718 1.00 0.00 H new ATOM 910 N ILE A 61 10.884 -2.775 -3.968 1.00 0.00 N ATOM 911 CA ILE A 61 9.813 -1.829 -3.663 1.00 0.00 C ATOM 912 C ILE A 61 8.718 -1.893 -4.719 1.00 0.00 C ATOM 913 O ILE A 61 8.984 -1.729 -5.910 1.00 0.00 O ATOM 914 CB ILE A 61 10.304 -0.370 -3.575 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.707 -0.286 -2.981 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.330 0.452 -2.743 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.721 -0.296 -1.468 1.00 0.00 C ATOM 0 H ILE A 61 11.357 -2.609 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 61 9.429 -2.126 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 61 10.349 0.034 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.300 -1.124 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.190 0.625 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.681 1.482 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.345 0.431 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.265 0.033 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.750 -0.234 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.156 0.557 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.268 -1.219 -1.106 1.00 0.00 H new ATOM 929 N LYS A 62 7.487 -2.118 -4.279 1.00 0.00 N ATOM 930 CA LYS A 62 6.356 -2.184 -5.196 1.00 0.00 C ATOM 931 C LYS A 62 5.296 -1.174 -4.818 1.00 0.00 C ATOM 932 O LYS A 62 5.224 -0.724 -3.674 1.00 0.00 O ATOM 933 CB LYS A 62 5.713 -3.567 -5.197 1.00 0.00 C ATOM 934 CG LYS A 62 5.289 -4.030 -6.579 1.00 0.00 C ATOM 935 CD LYS A 62 5.322 -5.543 -6.695 1.00 0.00 C ATOM 936 CE LYS A 62 4.408 -6.028 -7.807 1.00 0.00 C ATOM 937 NZ LYS A 62 3.037 -6.328 -7.308 1.00 0.00 N ATOM 0 H LYS A 62 7.246 -2.257 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 62 6.748 -1.965 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.416 -4.288 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.842 -3.556 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.282 -3.670 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.949 -3.592 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.342 -5.873 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.017 -5.990 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.352 -5.270 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.833 -6.923 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.335 -5.986 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.929 -7.355 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.888 -5.853 -6.395 1.00 0.00 H new ATOM 951 N HIS A 63 4.454 -0.850 -5.780 1.00 0.00 N ATOM 952 CA HIS A 63 3.372 0.069 -5.553 1.00 0.00 C ATOM 953 C HIS A 63 2.055 -0.633 -5.832 1.00 0.00 C ATOM 954 O HIS A 63 1.715 -0.910 -6.982 1.00 0.00 O ATOM 955 CB HIS A 63 3.531 1.286 -6.456 1.00 0.00 C ATOM 956 CG HIS A 63 4.917 1.852 -6.448 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.382 2.733 -5.498 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.954 1.638 -7.299 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.657 3.021 -5.793 1.00 0.00 C ATOM 960 NE2 HIS A 63 7.052 2.382 -6.877 1.00 0.00 N ATOM 0 H HIS A 63 4.505 -1.216 -6.731 1.00 0.00 H new ATOM 0 HA HIS A 63 3.384 0.405 -4.516 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.265 1.010 -7.476 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.829 2.058 -6.141 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.930 0.993 -8.165 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.280 3.690 -5.218 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.972 2.424 -7.315 1.00 0.00 H new ATOM 968 N TYR A 64 1.324 -0.921 -4.770 1.00 0.00 N ATOM 969 CA TYR A 64 0.045 -1.596 -4.887 1.00 0.00 C ATOM 970 C TYR A 64 -1.088 -0.583 -4.834 1.00 0.00 C ATOM 971 O TYR A 64 -1.278 0.081 -3.818 1.00 0.00 O ATOM 972 CB TYR A 64 -0.132 -2.604 -3.752 1.00 0.00 C ATOM 973 CG TYR A 64 0.975 -3.621 -3.631 1.00 0.00 C ATOM 974 CD1 TYR A 64 2.049 -3.647 -4.512 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.928 -4.575 -2.629 1.00 0.00 C ATOM 976 CE1 TYR A 64 3.039 -4.595 -4.393 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.919 -5.524 -2.500 1.00 0.00 C ATOM 978 CZ TYR A 64 2.973 -5.532 -3.385 1.00 0.00 C ATOM 979 OH TYR A 64 3.962 -6.482 -3.266 1.00 0.00 O ATOM 0 H TYR A 64 1.596 -0.697 -3.813 1.00 0.00 H new ATOM 0 HA TYR A 64 0.022 -2.121 -5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.211 -2.060 -2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.076 -3.130 -3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.108 -2.912 -5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.100 -4.576 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.866 -4.605 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.869 -6.257 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 64 3.888 -7.125 -4.001 1.00 0.00 H new ATOM 989 N HIS A 65 -1.851 -0.460 -5.911 1.00 0.00 N ATOM 990 CA HIS A 65 -2.956 0.481 -5.913 1.00 0.00 C ATOM 991 C HIS A 65 -4.193 -0.149 -5.317 1.00 0.00 C ATOM 992 O HIS A 65 -4.443 -1.341 -5.488 1.00 0.00 O ATOM 993 CB HIS A 65 -3.275 1.015 -7.302 1.00 0.00 C ATOM 994 CG HIS A 65 -3.541 2.477 -7.280 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.583 3.213 -6.125 1.00 0.00 N ATOM 996 CD2 HIS A 65 -3.777 3.343 -8.288 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.836 4.479 -6.457 1.00 0.00 C ATOM 998 NE2 HIS A 65 -3.963 4.617 -7.761 1.00 0.00 N ATOM 0 H HIS A 65 -1.728 -0.988 -6.775 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.640 1.326 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.441 0.807 -7.973 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.144 0.493 -7.702 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.445 2.856 -5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.815 3.088 -9.337 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.925 5.288 -5.747 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.969 0.659 -4.616 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.185 0.162 -3.999 1.00 0.00 C ATOM 1008 C ILE A 66 -7.362 0.324 -4.948 1.00 0.00 C ATOM 1009 O ILE A 66 -7.866 1.425 -5.150 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.486 0.887 -2.671 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.230 1.592 -2.149 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.014 -0.097 -1.637 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.364 0.729 -1.259 1.00 0.00 C ATOM 0 H ILE A 66 -4.782 1.650 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.034 -0.895 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.253 1.640 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.636 1.930 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.529 2.482 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.221 0.430 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.931 -0.556 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.268 -0.871 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.496 1.301 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.939 0.412 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.032 -0.148 -1.814 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.800 -0.786 -5.524 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.920 -0.769 -6.447 1.00 0.00 C ATOM 1027 C LYS A 67 -10.201 -0.426 -5.702 1.00 0.00 C ATOM 1028 O LYS A 67 -10.337 -0.752 -4.521 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.064 -2.127 -7.141 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.118 -2.142 -8.235 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.772 -1.174 -9.355 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.277 -1.147 -9.627 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.970 -0.664 -11.001 1.00 0.00 N ATOM 0 H LYS A 67 -7.395 -1.709 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.734 -0.009 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.103 -2.410 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.315 -2.882 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.210 -3.150 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.087 -1.879 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.303 -1.462 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.113 -0.173 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.787 -0.502 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.866 -2.148 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.940 -0.661 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.416 -1.294 -11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.339 0.301 -11.120 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.128 0.234 -6.397 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.403 0.641 -5.811 1.00 0.00 C ATOM 1049 C GLU A 68 -13.564 -0.086 -6.487 1.00 0.00 C ATOM 1050 O GLU A 68 -13.595 -0.218 -7.710 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.590 2.154 -5.970 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.266 2.958 -4.721 1.00 0.00 C ATOM 1053 CD GLU A 68 -10.968 2.526 -4.066 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.635 1.327 -4.142 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.286 3.390 -3.475 1.00 0.00 O ATOM 0 H GLU A 68 -11.016 0.500 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.393 0.381 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.958 2.503 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.622 2.353 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.203 4.015 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.081 2.854 -4.005 1.00 0.00 H new ATOM 1062 N THR A 69 -14.517 -0.555 -5.685 1.00 0.00 N ATOM 1063 CA THR A 69 -15.678 -1.265 -6.212 1.00 0.00 C ATOM 1064 C THR A 69 -16.959 -0.798 -5.526 1.00 0.00 C ATOM 1065 O THR A 69 -16.979 0.248 -4.876 1.00 0.00 O ATOM 1066 CB THR A 69 -15.508 -2.776 -6.033 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.745 -3.443 -6.211 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.970 -3.164 -4.673 1.00 0.00 C ATOM 0 H THR A 69 -14.508 -0.456 -4.670 1.00 0.00 H new ATOM 0 HA THR A 69 -15.755 -1.042 -7.276 1.00 0.00 H new ATOM 0 HB THR A 69 -14.783 -3.075 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.085 -3.266 -7.113 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.875 -4.248 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.993 -2.705 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.655 -2.818 -3.899 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.025 -1.578 -5.674 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.310 -1.241 -5.067 1.00 0.00 C ATOM 1078 C ASN A 70 -19.344 -1.657 -3.599 1.00 0.00 C ATOM 1079 O ASN A 70 -19.920 -2.687 -3.248 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.450 -1.920 -5.827 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.920 -1.103 -7.015 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -20.804 0.123 -7.025 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.454 -1.780 -8.025 1.00 0.00 N ATOM 0 H ASN A 70 -18.026 -2.447 -6.208 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.438 -0.160 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.120 -2.900 -6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.287 -2.085 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.788 -1.284 -8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.530 -2.796 -7.974 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.717 -0.851 -2.748 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.665 -1.134 -1.319 1.00 0.00 C ATOM 1092 C ASP A 71 -20.060 -1.285 -0.721 1.00 0.00 C ATOM 1093 O ASP A 71 -20.960 -0.498 -1.014 1.00 0.00 O ATOM 1094 CB ASP A 71 -17.907 -0.026 -0.587 1.00 0.00 C ATOM 1095 CG ASP A 71 -18.783 0.718 0.402 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -19.813 1.280 -0.024 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -18.437 0.738 1.602 1.00 0.00 O ATOM 0 H ASP A 71 -18.237 0.005 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.140 -2.081 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.056 -0.458 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.507 0.679 -1.316 1.00 0.00 H new ATOM 1102 N SER A 72 -20.231 -2.302 0.122 1.00 0.00 N ATOM 1103 CA SER A 72 -21.515 -2.548 0.762 1.00 0.00 C ATOM 1104 C SER A 72 -21.408 -3.559 1.908 1.00 0.00 C ATOM 1105 O SER A 72 -22.343 -4.323 2.147 1.00 0.00 O ATOM 1106 CB SER A 72 -22.528 -3.046 -0.271 1.00 0.00 C ATOM 1107 OG SER A 72 -21.881 -3.725 -1.334 1.00 0.00 O ATOM 0 H SER A 72 -19.498 -2.965 0.375 1.00 0.00 H new ATOM 0 HA SER A 72 -21.851 -1.602 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.243 -3.714 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.094 -2.202 -0.665 1.00 0.00 H new ATOM 0 HG SER A 72 -21.977 -4.692 -1.211 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.275 -3.589 2.639 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.125 -2.726 2.427 1.00 0.00 C ATOM 1115 C PRO A 73 -17.993 -3.438 1.685 1.00 0.00 C ATOM 1116 O PRO A 73 -17.540 -4.503 2.103 1.00 0.00 O ATOM 1117 CB PRO A 73 -18.708 -2.438 3.864 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.039 -3.696 4.617 1.00 0.00 C ATOM 1119 CD PRO A 73 -20.018 -4.486 3.769 1.00 0.00 C ATOM 0 HA PRO A 73 -19.349 -1.850 1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.645 -2.206 3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.247 -1.581 4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.138 -4.279 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.475 -3.459 5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.594 -5.435 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.932 -4.717 4.317 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.550 -2.849 0.581 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.486 -3.422 -0.224 1.00 0.00 C ATOM 1129 C LYS A 74 -16.228 -2.575 -1.466 1.00 0.00 C ATOM 1130 O LYS A 74 -16.916 -2.717 -2.477 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.861 -4.841 -0.629 1.00 0.00 C ATOM 1132 CG LYS A 74 -18.360 -5.097 -0.665 1.00 0.00 C ATOM 1133 CD LYS A 74 -19.018 -4.400 -1.843 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.646 -5.061 -3.160 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.846 -5.544 -3.898 1.00 0.00 N ATOM 0 H LYS A 74 -17.917 -1.967 0.223 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.572 -3.442 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.443 -5.049 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.400 -5.541 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -18.545 -6.169 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.812 -4.748 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.101 -4.418 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.716 -3.353 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.100 -4.351 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.976 -5.899 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.555 -5.927 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.316 -6.290 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.505 -4.753 -4.044 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.243 -1.686 -1.382 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.918 -0.813 -2.502 1.00 0.00 C ATOM 1151 C ARG A 75 -13.451 -0.898 -2.893 1.00 0.00 C ATOM 1152 O ARG A 75 -13.125 -1.139 -4.054 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.255 0.636 -2.159 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.120 0.961 -0.681 1.00 0.00 C ATOM 1155 CD ARG A 75 -15.950 2.175 -0.298 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.815 2.616 -1.389 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.046 3.083 -1.211 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.553 3.169 0.011 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -18.770 3.465 -2.254 1.00 0.00 N ATOM 0 H ARG A 75 -14.660 -1.552 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.517 -1.151 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.601 1.296 -2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.276 0.847 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.435 0.102 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.073 1.145 -0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.560 1.936 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.287 2.991 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.454 2.562 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.998 2.877 0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.498 3.528 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.382 3.401 -3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.715 3.823 -2.115 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.570 -0.657 -1.934 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.145 -0.662 -2.210 1.00 0.00 C ATOM 1175 C TYR A 76 -10.530 -2.037 -2.022 1.00 0.00 C ATOM 1176 O TYR A 76 -10.912 -2.790 -1.130 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.443 0.362 -1.333 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.242 1.628 -1.191 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.369 1.831 -1.971 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.882 2.611 -0.285 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.119 2.977 -1.857 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.627 3.768 -0.161 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.746 3.947 -0.950 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.493 5.097 -0.831 1.00 0.00 O ATOM 0 H TYR A 76 -12.816 -0.457 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.010 -0.393 -3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.266 -0.067 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.467 0.596 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.664 1.074 -2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.007 2.472 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.995 3.117 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.336 4.528 0.549 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.096 5.676 -0.147 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.571 -2.342 -2.882 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.871 -3.627 -2.848 1.00 0.00 C ATOM 1196 C TYR A 77 -7.672 -3.614 -3.792 1.00 0.00 C ATOM 1197 O TYR A 77 -7.466 -2.655 -4.525 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.821 -4.760 -3.236 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.085 -4.838 -4.720 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.939 -3.932 -5.339 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.478 -5.812 -5.505 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.184 -3.994 -6.697 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.716 -5.877 -6.867 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.570 -4.967 -7.457 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.809 -5.032 -8.810 1.00 0.00 O ATOM 0 H TYR A 77 -9.254 -1.714 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.514 -3.792 -1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.401 -5.708 -2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.768 -4.626 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.419 -3.166 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.812 -6.527 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.853 -3.284 -7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.235 -6.637 -7.466 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.956 -5.062 -9.292 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.881 -4.680 -3.772 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.707 -4.765 -4.636 1.00 0.00 C ATOM 1217 C VAL A 78 -5.799 -5.948 -5.592 1.00 0.00 C ATOM 1218 O VAL A 78 -5.865 -5.775 -6.809 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.410 -4.897 -3.816 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.998 -3.550 -3.241 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.580 -5.931 -2.711 1.00 0.00 C ATOM 0 H VAL A 78 -7.028 -5.492 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.681 -3.838 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.615 -5.237 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.080 -3.666 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.830 -2.843 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.789 -3.175 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.654 -6.011 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.388 -5.625 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.820 -6.899 -3.152 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.788 -7.148 -5.031 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.853 -8.371 -5.820 1.00 0.00 C ATOM 1233 C ALA A 79 -7.269 -8.926 -5.878 1.00 0.00 C ATOM 1234 O ALA A 79 -7.486 -10.098 -5.574 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.921 -9.411 -5.219 1.00 0.00 C ATOM 0 H ALA A 79 -5.734 -7.302 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.544 -8.134 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.969 -10.327 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.900 -9.030 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.225 -9.623 -4.194 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.239 -8.097 -6.252 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.617 -8.566 -6.306 1.00 0.00 C ATOM 1243 C GLU A 80 -9.807 -9.591 -5.201 1.00 0.00 C ATOM 1244 O GLU A 80 -10.608 -10.519 -5.308 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.928 -9.186 -7.669 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.514 -8.313 -8.843 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.482 -9.075 -10.153 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.901 -10.180 -10.184 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -10.038 -8.565 -11.149 1.00 0.00 O ATOM 0 H GLU A 80 -8.102 -7.121 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.300 -7.728 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.421 -10.148 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.998 -9.384 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.207 -7.476 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.528 -7.892 -8.648 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.019 -9.406 -4.149 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.020 -10.288 -2.997 1.00 0.00 C ATOM 1258 C LYS A 81 -9.943 -9.777 -1.903 1.00 0.00 C ATOM 1259 O LYS A 81 -11.027 -10.314 -1.676 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.609 -10.365 -2.431 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.676 -11.308 -3.168 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.303 -11.322 -2.514 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.133 -12.528 -1.607 1.00 0.00 C ATOM 1264 NZ LYS A 81 -6.435 -13.185 -1.306 1.00 0.00 N ATOM 0 H LYS A 81 -8.358 -8.633 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.371 -11.267 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.174 -9.366 -2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.668 -10.677 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.094 -12.315 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.586 -10.999 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.532 -11.333 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.164 -10.408 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.465 -13.247 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.659 -12.218 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.287 -13.951 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.093 -12.485 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.836 -13.579 -2.181 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.480 -8.740 -1.214 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.228 -8.145 -0.122 1.00 0.00 C ATOM 1280 C TYR A 82 -10.527 -6.681 -0.392 1.00 0.00 C ATOM 1281 O TYR A 82 -9.631 -5.838 -0.353 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.439 -8.248 1.184 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.567 -9.475 1.300 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.578 -9.754 0.360 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.722 -10.349 2.365 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.776 -10.872 0.483 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.923 -11.466 2.496 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.951 -11.724 1.553 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.152 -12.837 1.680 1.00 0.00 O ATOM 0 H TYR A 82 -8.582 -8.293 -1.398 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.167 -8.693 -0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.811 -7.362 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.141 -8.238 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.436 -9.087 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.483 -10.152 3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.015 -11.078 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.058 -12.135 3.333 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.404 -13.330 2.488 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.790 -6.378 -0.636 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.194 -5.006 -0.876 1.00 0.00 C ATOM 1301 C VAL A 83 -12.668 -4.382 0.422 1.00 0.00 C ATOM 1302 O VAL A 83 -13.190 -5.074 1.296 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.313 -4.907 -1.919 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.767 -5.184 -3.308 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.441 -5.858 -1.569 1.00 0.00 C ATOM 0 H VAL A 83 -12.548 -7.059 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.326 -4.472 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.714 -3.893 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.574 -5.110 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.993 -4.454 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.341 -6.187 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.230 -5.778 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.062 -6.880 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.843 -5.600 -0.589 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.477 -3.082 0.559 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.884 -2.401 1.773 1.00 0.00 C ATOM 1317 C PHE A 84 -13.404 -1.002 1.476 1.00 0.00 C ATOM 1318 O PHE A 84 -13.552 -0.613 0.318 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.710 -2.339 2.753 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.961 -3.638 2.859 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.960 -3.955 1.953 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.263 -4.545 3.862 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.276 -5.155 2.044 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.581 -5.745 3.960 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.588 -6.052 3.050 1.00 0.00 C ATOM 0 H PHE A 84 -12.048 -2.483 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.699 -2.967 2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.022 -1.555 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.082 -2.059 3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.711 -3.257 1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.040 -4.313 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.500 -5.391 1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.825 -6.442 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.057 -6.989 3.124 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.678 -0.254 2.536 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.182 1.104 2.402 1.00 0.00 C ATOM 1337 C ASP A 85 -13.067 2.111 2.631 1.00 0.00 C ATOM 1338 O ASP A 85 -13.273 3.319 2.517 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.321 1.349 3.395 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.786 2.791 3.396 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.880 3.387 2.303 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -16.055 3.327 4.492 1.00 0.00 O ATOM 0 H ASP A 85 -13.559 -0.566 3.500 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.564 1.230 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.161 0.699 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.991 1.076 4.397 1.00 0.00 H new ATOM 1347 N SER A 86 -11.883 1.604 2.955 1.00 0.00 N ATOM 1348 CA SER A 86 -10.736 2.464 3.199 1.00 0.00 C ATOM 1349 C SER A 86 -9.427 1.676 3.169 1.00 0.00 C ATOM 1350 O SER A 86 -9.343 0.523 3.633 1.00 0.00 O ATOM 1351 CB SER A 86 -10.891 3.187 4.539 1.00 0.00 C ATOM 1352 OG SER A 86 -10.636 4.575 4.401 1.00 0.00 O ATOM 0 H SER A 86 -11.695 0.606 3.054 1.00 0.00 H new ATOM 0 HA SER A 86 -10.697 3.202 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.900 3.036 4.923 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.204 2.758 5.269 1.00 0.00 H new ATOM 0 HG SER A 86 -10.743 5.015 5.270 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.400 2.307 2.618 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.101 1.680 2.529 1.00 0.00 C ATOM 1360 C ILE A 87 -6.651 1.206 3.902 1.00 0.00 C ATOM 1361 O ILE A 87 -6.061 0.142 4.030 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.042 2.625 1.942 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.032 2.531 0.416 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.671 2.281 2.495 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.367 2.829 -0.229 1.00 0.00 C ATOM 0 H ILE A 87 -8.446 3.249 2.229 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.201 0.828 1.856 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.291 3.647 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.288 3.225 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.716 1.529 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.928 2.957 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.680 2.384 3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.419 1.254 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.276 2.741 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.112 2.119 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.677 3.842 0.028 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.938 1.984 4.960 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.556 1.602 6.317 1.00 0.00 C ATOM 1379 C PRO A 88 -7.040 0.198 6.638 1.00 0.00 C ATOM 1380 O PRO A 88 -6.263 -0.648 7.078 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.256 2.632 7.199 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.483 3.810 6.311 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.655 3.267 4.917 1.00 0.00 C ATOM 0 HA PRO A 88 -5.476 1.589 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.197 2.244 7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.641 2.898 8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.367 4.366 6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.640 4.499 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.707 3.131 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.233 3.938 4.169 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.313 -0.070 6.357 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.844 -1.404 6.568 1.00 0.00 C ATOM 1393 C LEU A 89 -8.230 -2.299 5.513 1.00 0.00 C ATOM 1394 O LEU A 89 -7.729 -3.390 5.805 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.372 -1.436 6.462 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.069 -0.082 6.561 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.106 0.590 5.200 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.475 -0.251 7.114 1.00 0.00 C ATOM 0 H LEU A 89 -8.981 0.608 5.990 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.595 -1.743 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.643 -1.895 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.759 -2.082 7.250 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.506 0.554 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.606 1.555 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.088 0.739 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.651 -0.041 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.960 0.723 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.050 -0.899 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.424 -0.698 8.107 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.231 -1.796 4.276 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.636 -2.525 3.171 1.00 0.00 C ATOM 1412 C LEU A 90 -6.181 -2.848 3.506 1.00 0.00 C ATOM 1413 O LEU A 90 -5.672 -3.916 3.165 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.726 -1.703 1.886 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.323 -2.446 0.613 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.263 -2.097 -0.528 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.884 -2.119 0.241 1.00 0.00 C ATOM 0 H LEU A 90 -8.635 -0.894 4.023 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.180 -3.457 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.750 -1.347 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.092 -0.823 1.991 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.395 -3.517 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.961 -2.635 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.281 -2.381 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.223 -1.024 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.612 -2.656 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.787 -1.047 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.221 -2.420 1.052 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.532 -1.921 4.210 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.150 -2.100 4.637 1.00 0.00 C ATOM 1431 C ILE A 91 -4.119 -2.994 5.862 1.00 0.00 C ATOM 1432 O ILE A 91 -3.387 -3.982 5.910 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.470 -0.758 4.985 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.570 0.212 3.812 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.009 -0.981 5.355 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.993 -0.345 2.537 1.00 0.00 C ATOM 0 H ILE A 91 -5.947 -1.034 4.497 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.604 -2.551 3.808 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.987 -0.325 5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.617 0.469 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.050 1.136 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.545 -0.025 5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.949 -1.643 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.486 -1.435 4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.094 0.391 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.938 -0.577 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.529 -1.253 2.262 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.944 -2.647 6.846 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.035 -3.426 8.066 1.00 0.00 C ATOM 1450 C GLN A 92 -5.288 -4.884 7.719 1.00 0.00 C ATOM 1451 O GLN A 92 -4.735 -5.787 8.347 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.153 -2.890 8.963 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.770 -1.631 9.727 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.711 -0.809 9.017 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.994 0.267 8.491 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.480 -1.309 9.006 1.00 0.00 N ATOM 0 H GLN A 92 -5.556 -1.832 6.818 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.094 -3.345 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.030 -2.681 8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.439 -3.664 9.675 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.659 -1.018 9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.405 -1.909 10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.289 -2.205 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.726 -0.797 8.549 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.111 -5.110 6.695 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.404 -6.465 6.257 1.00 0.00 C ATOM 1467 C TYR A 93 -5.141 -7.108 5.703 1.00 0.00 C ATOM 1468 O TYR A 93 -4.861 -8.277 5.970 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.511 -6.468 5.203 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.054 -6.923 3.834 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.701 -8.247 3.596 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.987 -6.028 2.778 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.295 -8.660 2.339 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.582 -6.433 1.522 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.237 -7.750 1.308 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.838 -8.159 0.057 1.00 0.00 O ATOM 0 H TYR A 93 -6.580 -4.378 6.161 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.754 -7.042 7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.318 -7.118 5.540 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.924 -5.463 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.744 -8.963 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.257 -4.995 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.025 -9.692 2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.536 -5.721 0.711 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.180 -7.526 -0.300 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.367 -6.333 4.944 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.125 -6.835 4.379 1.00 0.00 C ATOM 1488 C HIS A 94 -2.050 -6.909 5.455 1.00 0.00 C ATOM 1489 O HIS A 94 -1.295 -7.878 5.530 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.649 -5.938 3.241 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.914 -6.505 1.885 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -2.224 -7.409 1.151 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -4.014 -6.161 1.130 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -2.916 -7.594 -0.021 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -3.993 -6.831 -0.006 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.580 -5.363 4.710 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.310 -7.834 3.985 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.140 -4.969 3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.579 -5.763 3.350 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.353 -7.867 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.775 -5.453 1.423 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.626 -8.256 -0.824 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.991 -5.874 6.288 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.013 -5.816 7.364 1.00 0.00 C ATOM 1506 C GLN A 95 -1.013 -7.121 8.152 1.00 0.00 C ATOM 1507 O GLN A 95 0.037 -7.711 8.404 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.322 -4.648 8.301 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.094 -3.286 7.669 1.00 0.00 C ATOM 1510 CD GLN A 95 0.373 -3.009 7.402 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.643 -2.074 6.499 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 1.252 -3.627 8.002 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.610 -5.065 6.237 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.027 -5.667 6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.360 -4.719 8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.701 -4.734 9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.648 -3.226 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.493 -2.513 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.998 -4.338 8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.235 -3.429 7.813 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.208 -7.561 8.537 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.367 -8.794 9.298 1.00 0.00 C ATOM 1523 C TYR A 96 -2.511 -9.992 8.366 1.00 0.00 C ATOM 1524 O TYR A 96 -1.553 -10.728 8.129 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.591 -8.694 10.208 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.298 -8.061 11.549 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.924 -6.727 11.639 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.394 -8.797 12.724 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.654 -6.143 12.861 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.126 -8.219 13.950 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.757 -6.892 14.013 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.489 -6.314 15.233 1.00 0.00 O ATOM 0 H TYR A 96 -3.083 -7.079 8.333 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.475 -8.936 9.908 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.363 -8.113 9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.997 -9.693 10.368 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.843 -6.136 10.739 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.683 -9.837 12.678 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.363 -5.104 12.913 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.205 -8.804 14.855 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.609 -6.978 15.943 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.717 -10.182 7.839 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.988 -11.291 6.931 1.00 0.00 C ATOM 1544 C ASN A 97 -2.971 -11.318 5.795 1.00 0.00 C ATOM 1545 O ASN A 97 -2.296 -12.324 5.576 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.403 -11.177 6.362 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.457 -11.085 7.448 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.949 -12.101 7.940 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.810 -9.863 7.829 1.00 0.00 N ATOM 0 H ASN A 97 -4.521 -9.583 8.025 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.905 -12.221 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.465 -10.296 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.609 -12.042 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.514 -9.739 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.377 -9.048 7.395 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.866 -10.205 5.077 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.928 -10.120 3.974 1.00 0.00 C ATOM 1558 C GLY A 98 -2.427 -10.823 2.728 1.00 0.00 C ATOM 1559 O GLY A 98 -2.229 -12.027 2.565 1.00 0.00 O ATOM 0 H GLY A 98 -3.414 -9.360 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.738 -9.072 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.977 -10.557 4.277 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.073 -10.070 1.844 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.588 -10.643 0.614 1.00 0.00 C ATOM 1565 C GLY A 99 -2.613 -11.615 -0.022 1.00 0.00 C ATOM 1566 O GLY A 99 -2.350 -12.687 0.522 1.00 0.00 O ATOM 0 H GLY A 99 -3.249 -9.072 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.527 -11.157 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.811 -9.842 -0.091 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.074 -11.240 -1.179 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.129 -12.100 -1.867 1.00 0.00 C ATOM 1572 C GLY A 100 -0.120 -11.322 -2.693 1.00 0.00 C ATOM 1573 O GLY A 100 -0.030 -11.508 -3.906 1.00 0.00 O ATOM 0 H GLY A 100 -2.275 -10.358 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.600 -12.710 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.674 -12.784 -2.517 1.00 0.00 H new ATOM 1577 N LEU A 101 0.641 -10.451 -2.036 1.00 0.00 N ATOM 1578 CA LEU A 101 1.647 -9.646 -2.722 1.00 0.00 C ATOM 1579 C LEU A 101 3.051 -10.116 -2.352 1.00 0.00 C ATOM 1580 O LEU A 101 3.256 -11.283 -2.016 1.00 0.00 O ATOM 1581 CB LEU A 101 1.490 -8.161 -2.375 1.00 0.00 C ATOM 1582 CG LEU A 101 0.054 -7.660 -2.173 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -0.954 -8.770 -2.415 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.112 -7.083 -0.774 1.00 0.00 C ATOM 0 H LEU A 101 0.580 -10.285 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 101 1.500 -9.771 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.054 -7.961 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.949 -7.573 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.136 -6.872 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.962 -8.385 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.854 -9.136 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.770 -9.587 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.136 -6.731 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.103 -7.854 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.578 -6.250 -0.640 1.00 0.00 H new ATOM 1596 N VAL A 102 4.018 -9.202 -2.408 1.00 0.00 N ATOM 1597 CA VAL A 102 5.399 -9.533 -2.069 1.00 0.00 C ATOM 1598 C VAL A 102 5.473 -10.195 -0.700 1.00 0.00 C ATOM 1599 O VAL A 102 6.300 -11.076 -0.465 1.00 0.00 O ATOM 1600 CB VAL A 102 6.301 -8.283 -2.062 1.00 0.00 C ATOM 1601 CG1 VAL A 102 6.190 -7.530 -3.378 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.957 -7.376 -0.887 1.00 0.00 C ATOM 0 H VAL A 102 3.871 -8.231 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 102 5.755 -10.221 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 102 7.334 -8.610 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.835 -6.652 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.498 -8.181 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.157 -7.217 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.606 -6.500 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.917 -7.059 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.102 -7.919 0.047 1.00 0.00 H new ATOM 1612 N THR A 103 4.601 -9.759 0.199 1.00 0.00 N ATOM 1613 CA THR A 103 4.554 -10.296 1.551 1.00 0.00 C ATOM 1614 C THR A 103 3.510 -9.554 2.379 1.00 0.00 C ATOM 1615 O THR A 103 3.728 -9.260 3.554 1.00 0.00 O ATOM 1616 CB THR A 103 5.928 -10.184 2.216 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.846 -10.497 3.595 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.546 -8.807 2.093 1.00 0.00 C ATOM 0 H THR A 103 3.912 -9.030 0.014 1.00 0.00 H new ATOM 0 HA THR A 103 4.276 -11.348 1.496 1.00 0.00 H new ATOM 0 HB THR A 103 6.561 -10.896 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.906 -10.505 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.518 -8.799 2.586 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.672 -8.557 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.894 -8.072 2.565 1.00 0.00 H new ATOM 1626 N ARG A 104 2.379 -9.246 1.752 1.00 0.00 N ATOM 1627 CA ARG A 104 1.302 -8.529 2.424 1.00 0.00 C ATOM 1628 C ARG A 104 1.831 -7.253 3.065 1.00 0.00 C ATOM 1629 O ARG A 104 3.038 -7.010 3.076 1.00 0.00 O ATOM 1630 CB ARG A 104 0.654 -9.419 3.488 1.00 0.00 C ATOM 1631 CG ARG A 104 1.650 -10.019 4.465 1.00 0.00 C ATOM 1632 CD ARG A 104 0.948 -10.719 5.618 1.00 0.00 C ATOM 1633 NE ARG A 104 1.894 -11.302 6.563 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.749 -11.246 7.883 1.00 0.00 C ATOM 1635 NH1 ARG A 104 0.697 -10.636 8.412 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.655 -11.801 8.677 1.00 0.00 N ATOM 0 H ARG A 104 2.185 -9.482 0.779 1.00 0.00 H new ATOM 0 HA ARG A 104 0.550 -8.262 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.079 -8.833 4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.111 -10.225 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.291 -10.730 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.297 -9.233 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.308 -10.006 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.299 -11.502 5.225 1.00 0.00 H new ATOM 0 HE ARG A 104 2.714 -11.780 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.003 -10.209 7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.588 -10.594 9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.465 -12.272 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.541 -11.757 9.690 1.00 0.00 H new ATOM 1650 N LEU A 105 0.928 -6.440 3.603 1.00 0.00 N ATOM 1651 CA LEU A 105 1.325 -5.195 4.247 1.00 0.00 C ATOM 1652 C LEU A 105 2.208 -5.496 5.451 1.00 0.00 C ATOM 1653 O LEU A 105 1.874 -5.167 6.589 1.00 0.00 O ATOM 1654 CB LEU A 105 0.099 -4.386 4.666 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.641 -3.700 3.526 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -0.033 -2.349 3.300 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.582 -4.517 2.244 1.00 0.00 C ATOM 0 H LEU A 105 -0.076 -6.619 3.606 1.00 0.00 H new ATOM 0 HA LEU A 105 1.892 -4.597 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.595 -5.049 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.411 -3.628 5.385 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.691 -3.603 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.555 -1.847 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.121 -1.754 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.020 -2.462 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.121 -3.994 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.458 -4.651 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.040 -5.492 2.412 1.00 0.00 H new ATOM 1669 N ARG A 106 3.334 -6.146 5.178 1.00 0.00 N ATOM 1670 CA ARG A 106 4.284 -6.533 6.211 1.00 0.00 C ATOM 1671 C ARG A 106 4.530 -5.418 7.222 1.00 0.00 C ATOM 1672 O ARG A 106 4.509 -5.656 8.430 1.00 0.00 O ATOM 1673 CB ARG A 106 5.607 -6.942 5.569 1.00 0.00 C ATOM 1674 CG ARG A 106 5.835 -8.443 5.545 1.00 0.00 C ATOM 1675 CD ARG A 106 7.157 -8.817 6.196 1.00 0.00 C ATOM 1676 NE ARG A 106 7.246 -8.338 7.571 1.00 0.00 N ATOM 1677 CZ ARG A 106 6.980 -9.092 8.633 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.610 -10.355 8.475 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.083 -8.584 9.853 1.00 0.00 N ATOM 0 H ARG A 106 3.612 -6.419 4.235 1.00 0.00 H new ATOM 0 HA ARG A 106 3.850 -7.375 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.638 -6.562 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.425 -6.468 6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.018 -8.944 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.823 -8.797 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.274 -9.901 6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.978 -8.400 5.613 1.00 0.00 H new ATOM 0 HE ARG A 106 7.528 -7.370 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.529 -10.749 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.406 -10.933 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.367 -7.612 9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.878 -9.165 10.666 1.00 0.00 H new ATOM 1693 N TYR A 107 4.782 -4.206 6.737 1.00 0.00 N ATOM 1694 CA TYR A 107 5.050 -3.087 7.634 1.00 0.00 C ATOM 1695 C TYR A 107 4.957 -1.747 6.919 1.00 0.00 C ATOM 1696 O TYR A 107 5.797 -1.417 6.083 1.00 0.00 O ATOM 1697 CB TYR A 107 6.442 -3.231 8.247 1.00 0.00 C ATOM 1698 CG TYR A 107 6.815 -2.080 9.151 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.078 -1.811 10.295 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.896 -1.260 8.856 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.408 -0.757 11.123 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.233 -0.203 9.679 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.487 0.044 10.811 1.00 0.00 C ATOM 1704 OH TYR A 107 7.819 1.097 11.634 1.00 0.00 O ATOM 0 H TYR A 107 4.806 -3.975 5.744 1.00 0.00 H new ATOM 0 HA TYR A 107 4.289 -3.109 8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.488 -4.160 8.815 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.178 -3.310 7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.233 -2.436 10.542 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.482 -1.452 7.969 1.00 0.00 H new ATOM 0 HE1 TYR A 107 5.825 -0.560 12.010 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.077 0.426 9.437 1.00 0.00 H new ATOM 0 HH TYR A 107 8.604 1.560 11.273 1.00 0.00 H new ATOM 1714 N PRO A 108 3.937 -0.947 7.256 1.00 0.00 N ATOM 1715 CA PRO A 108 3.743 0.374 6.659 1.00 0.00 C ATOM 1716 C PRO A 108 4.936 1.293 6.904 1.00 0.00 C ATOM 1717 O PRO A 108 5.243 1.640 8.044 1.00 0.00 O ATOM 1718 CB PRO A 108 2.499 0.917 7.370 1.00 0.00 C ATOM 1719 CG PRO A 108 2.361 0.095 8.604 1.00 0.00 C ATOM 1720 CD PRO A 108 2.901 -1.258 8.252 1.00 0.00 C ATOM 0 HA PRO A 108 3.635 0.318 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.614 1.974 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.615 0.829 6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.917 0.535 9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.319 0.031 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.316 -1.767 9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.128 -1.908 7.842 1.00 0.00 H new ATOM 1728 N VAL A 109 5.598 1.687 5.824 1.00 0.00 N ATOM 1729 CA VAL A 109 6.746 2.568 5.905 1.00 0.00 C ATOM 1730 C VAL A 109 6.346 3.985 5.529 1.00 0.00 C ATOM 1731 O VAL A 109 5.832 4.220 4.437 1.00 0.00 O ATOM 1732 CB VAL A 109 7.869 2.103 4.961 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.928 2.997 3.733 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.205 2.082 5.685 1.00 0.00 C ATOM 0 H VAL A 109 5.353 1.405 4.875 1.00 0.00 H new ATOM 0 HA VAL A 109 7.111 2.543 6.932 1.00 0.00 H new ATOM 0 HB VAL A 109 7.651 1.086 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.727 2.657 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.976 2.951 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.124 4.024 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.985 1.750 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.440 3.084 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.150 1.397 6.531 1.00 0.00 H new ATOM 1744 N CYS A 110 6.575 4.925 6.432 1.00 0.00 N ATOM 1745 CA CYS A 110 6.230 6.311 6.174 1.00 0.00 C ATOM 1746 C CYS A 110 7.459 7.201 6.288 1.00 0.00 C ATOM 1747 O CYS A 110 7.756 7.747 7.349 1.00 0.00 O ATOM 1748 CB CYS A 110 5.135 6.771 7.140 1.00 0.00 C ATOM 1749 SG CYS A 110 5.399 8.416 7.843 1.00 0.00 S ATOM 0 H CYS A 110 6.996 4.754 7.345 1.00 0.00 H new ATOM 0 HA CYS A 110 5.850 6.391 5.156 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.179 6.762 6.616 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.059 6.050 7.954 1.00 0.00 H new ATOM 0 HG CYS A 110 6.650 8.553 8.169 1.00 0.00 H new ATOM 1755 N GLY A 111 8.173 7.333 5.177 1.00 0.00 N ATOM 1756 CA GLY A 111 9.370 8.153 5.155 1.00 0.00 C ATOM 1757 C GLY A 111 9.065 9.620 4.923 1.00 0.00 C ATOM 1758 O GLY A 111 8.965 10.397 5.872 1.00 0.00 O ATOM 0 H GLY A 111 7.944 6.886 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.901 8.041 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 111 10.037 7.795 4.371 1.00 0.00 H new HETATM 1762 N NH2 A 112 8.917 10.009 3.662 1.00 0.00 N TER 1765 NH2 A 112