USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -89:sc= -2.46! USER MOD Set 1.2: A 70 ASN : amide:sc= -2.6! C(o=-5.1!,f=-8!) USER MOD Set 2.1: A 31 THR OG1 : rot 151:sc= -7.42! USER MOD Set 2.2: A 39 GLN : amide:sc= -5.3! C(o=-13!,f=-16!) USER MOD Set 3.1: A 1 GLY N :NH3+ -143:sc= -22.1! (180deg=-15!) USER MOD Set 3.2: A 23 ASN :FLIP amide:sc= -19.4! C(o=-47!,f=-42!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 33:sc= 0.998 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0689 X(o=-0.069,f=-0.069) USER MOD Single : A 12 ASN : amide:sc= -2.5! C(o=-2.5!,f=-2.2!) USER MOD Single : A 13 ASN : amide:sc= -1.77 K(o=-1.8,f=-3!) USER MOD Single : A 18 ASN : amide:sc= -15.6! C(o=-16!,f=-19!) USER MOD Single : A 21 SER OG : rot 30:sc= 0.78 USER MOD Single : A 22 ASN : amide:sc= -3.22! C(o=-3.2!,f=-6.5!) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.138) USER MOD Single : A 25 GLN : amide:sc=-0.00854 X(o=-0.0085,f=-0.0085) USER MOD Single : A 33 SER OG : rot -7:sc= 0.868 USER MOD Single : A 34 SER OG : rot -39:sc= 0.15 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 57:sc= -1.72! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= -2.48 (180deg=-2.8!) USER MOD Single : A 53 THR OG1 : rot -161:sc= -5.44! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0811) USER MOD Single : A 66 ASN :FLIP amide:sc= 0.142 F(o=-0.45,f=0.14) USER MOD Single : A 71 SER OG : rot -65:sc= 0.357! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.58 K(o=-3.6,f=-6.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -7.28! C(o=-7.3!,f=-9.8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -5.15! C(o=-5.1!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.168 -5.642 4.092 1.00 1.00 N ATOM 2 CA GLY A 1 6.679 -6.548 3.272 1.00 1.00 C ATOM 3 C GLY A 1 6.245 -7.733 4.028 1.00 1.00 C ATOM 4 O GLY A 1 6.918 -8.762 3.911 1.00 1.00 O ATOM 0 H1 GLY A 1 6.899 -4.693 3.762 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.787 -5.797 5.047 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.205 -5.719 4.116 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.837 -6.132 2.718 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.434 -6.831 2.539 1.00 1.00 H new ATOM 10 N SER A 2 5.087 -7.701 4.902 1.00 1.00 N ATOM 11 CA SER A 2 4.757 -8.977 5.646 1.00 1.00 C ATOM 12 C SER A 2 3.693 -9.726 4.985 1.00 1.00 C ATOM 13 O SER A 2 3.913 -10.856 4.531 1.00 1.00 O ATOM 14 CB SER A 2 4.394 -8.707 7.084 1.00 1.00 C ATOM 15 OG SER A 2 4.659 -9.859 7.879 1.00 1.00 O ATOM 0 H SER A 2 4.473 -6.903 5.065 1.00 1.00 H new ATOM 0 HA SER A 2 5.660 -9.588 5.635 1.00 1.00 H new ATOM 0 HB2 SER A 2 4.965 -7.858 7.458 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.340 -8.439 7.157 1.00 1.00 H new ATOM 0 HG SER A 2 4.422 -9.674 8.812 1.00 1.00 H new ATOM 21 N GLY A 3 2.571 -9.231 4.992 1.00 1.00 N ATOM 22 CA GLY A 3 1.461 -9.937 4.426 1.00 1.00 C ATOM 23 C GLY A 3 0.395 -8.992 4.014 1.00 1.00 C ATOM 24 O GLY A 3 0.526 -7.800 4.197 1.00 1.00 O ATOM 0 H GLY A 3 2.345 -8.317 5.384 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.793 -10.517 3.565 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.065 -10.645 5.153 1.00 1.00 H new ATOM 28 N PRO A 4 -0.686 -9.495 3.471 1.00 1.00 N ATOM 29 CA PRO A 4 -1.811 -8.642 3.046 1.00 1.00 C ATOM 30 C PRO A 4 -2.275 -7.963 4.118 1.00 1.00 C ATOM 31 O PRO A 4 -3.237 -8.373 4.727 1.00 1.00 O ATOM 32 CB PRO A 4 -2.875 -9.618 2.492 1.00 1.00 C ATOM 33 CG PRO A 4 -2.447 -10.973 3.009 1.00 1.00 C ATOM 34 CD PRO A 4 -0.925 -10.892 3.223 1.00 1.00 C ATOM 0 HA PRO A 4 -1.531 -7.906 2.293 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.874 -9.357 2.841 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.903 -9.599 1.403 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.959 -11.213 3.941 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.698 -11.758 2.296 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.606 -11.508 4.064 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.379 -11.242 2.347 1.00 1.00 H new ATOM 42 N THR A 5 -1.657 -6.909 4.439 1.00 1.00 N ATOM 43 CA THR A 5 -2.030 -6.175 5.530 1.00 1.00 C ATOM 44 C THR A 5 -0.932 -5.402 6.075 1.00 1.00 C ATOM 45 O THR A 5 -1.198 -4.576 6.800 1.00 1.00 O ATOM 46 CB THR A 5 -2.516 -7.049 6.751 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.291 -6.329 7.977 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.730 -8.479 6.839 1.00 1.00 C ATOM 0 H THR A 5 -0.858 -6.535 3.927 1.00 1.00 H new ATOM 0 HA THR A 5 -2.835 -5.554 5.138 1.00 1.00 H new ATOM 0 HB THR A 5 -3.577 -7.250 6.603 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.404 -5.369 7.818 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.099 -9.045 7.695 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.905 -9.047 5.926 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.661 -8.300 6.956 1.00 1.00 H new ATOM 56 N TYR A 6 0.481 -5.870 5.914 1.00 1.00 N ATOM 57 CA TYR A 6 1.514 -5.199 6.701 1.00 1.00 C ATOM 58 C TYR A 6 1.329 -3.985 6.919 1.00 1.00 C ATOM 59 O TYR A 6 1.835 -3.435 7.926 1.00 1.00 O ATOM 60 CB TYR A 6 2.924 -5.350 6.332 1.00 1.00 C ATOM 61 CG TYR A 6 3.798 -5.014 7.806 1.00 1.00 C ATOM 62 CD1 TYR A 6 3.876 -6.002 8.814 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.404 -3.752 8.073 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.549 -5.745 10.013 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.068 -3.523 9.282 1.00 1.00 C ATOM 66 CZ TYR A 6 5.143 -4.516 10.238 1.00 1.00 C ATOM 67 OH TYR A 6 5.807 -4.281 11.426 1.00 1.00 O ATOM 0 H TYR A 6 0.797 -6.621 5.301 1.00 1.00 H new ATOM 0 HA TYR A 6 1.358 -5.798 7.598 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.133 -6.355 5.966 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.203 -4.657 5.538 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.412 -6.964 8.657 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.350 -2.965 7.335 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.605 -6.513 10.770 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.525 -2.563 9.469 1.00 1.00 H new ATOM 0 HH TYR A 6 6.168 -3.370 11.424 1.00 1.00 H new ATOM 77 N CYS A 7 0.602 -3.393 6.100 1.00 1.00 N ATOM 78 CA CYS A 7 0.351 -2.133 6.308 1.00 1.00 C ATOM 79 C CYS A 7 1.514 -1.272 6.535 1.00 1.00 C ATOM 80 O CYS A 7 1.452 -0.400 7.401 1.00 1.00 O ATOM 81 CB CYS A 7 -0.511 -2.042 7.528 1.00 1.00 C ATOM 82 SG CYS A 7 -1.142 -0.286 7.740 1.00 1.00 S ATOM 0 H CYS A 7 0.178 -3.806 5.269 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.114 -1.771 5.391 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.351 -2.731 7.442 1.00 1.00 H new ATOM 0 HB3 CYS A 7 0.058 -2.341 8.408 1.00 1.00 H new ATOM 87 N TRP A 8 2.562 -1.446 5.781 1.00 1.00 N ATOM 88 CA TRP A 8 3.756 -0.482 5.966 1.00 1.00 C ATOM 89 C TRP A 8 3.140 0.756 6.354 1.00 1.00 C ATOM 90 O TRP A 8 2.432 1.290 5.538 1.00 1.00 O ATOM 91 CB TRP A 8 4.400 -0.281 4.679 1.00 1.00 C ATOM 92 CG TRP A 8 5.634 0.683 4.747 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.863 1.799 3.944 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.820 0.596 5.639 1.00 1.00 C ATOM 95 NE1 TRP A 8 7.086 2.319 4.238 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.708 1.643 5.308 1.00 1.00 C ATOM 97 CE3 TRP A 8 7.212 -0.291 6.697 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.921 1.810 5.990 1.00 1.00 C ATOM 99 CZ3 TRP A 8 8.422 -0.099 7.366 1.00 1.00 C ATOM 100 CH2 TRP A 8 9.265 0.949 7.013 1.00 1.00 C ATOM 0 H TRP A 8 2.673 -2.168 5.069 1.00 1.00 H new ATOM 0 HA TRP A 8 4.493 -0.848 6.681 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.723 -1.246 4.287 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.672 0.121 3.975 1.00 1.00 H new ATOM 0 HD1 TRP A 8 5.178 2.189 3.205 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.504 3.106 3.742 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.568 -1.111 6.977 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.588 2.614 5.715 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.706 -0.769 8.164 1.00 1.00 H new ATOM 0 HH2 TRP A 8 10.195 1.090 7.543 1.00 1.00 H new ATOM 111 N ASN A 9 3.224 1.217 7.623 1.00 1.00 N ATOM 112 CA ASN A 9 2.459 2.387 8.016 1.00 1.00 C ATOM 113 C ASN A 9 2.046 3.214 6.909 1.00 1.00 C ATOM 114 O ASN A 9 0.867 3.540 6.769 1.00 1.00 O ATOM 115 CB ASN A 9 3.211 3.210 9.082 1.00 1.00 C ATOM 116 CG ASN A 9 3.423 2.361 10.342 1.00 1.00 C ATOM 117 OD1 ASN A 9 2.455 1.960 10.992 1.00 1.00 O ATOM 118 ND2 ASN A 9 4.637 2.063 10.724 1.00 1.00 N ATOM 0 H ASN A 9 3.797 0.803 8.358 1.00 1.00 H new ATOM 0 HA ASN A 9 1.537 2.006 8.455 1.00 1.00 H new ATOM 0 HB2 ASN A 9 4.173 3.539 8.688 1.00 1.00 H new ATOM 0 HB3 ASN A 9 2.643 4.107 9.329 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.784 1.498 11.560 1.00 1.00 H new ATOM 0 HD22 ASN A 9 5.437 2.395 10.186 1.00 1.00 H new ATOM 125 N GLU A 10 2.965 3.577 6.131 1.00 1.00 N ATOM 126 CA GLU A 10 2.700 4.399 5.026 1.00 1.00 C ATOM 127 C GLU A 10 1.904 5.530 5.492 1.00 1.00 C ATOM 128 O GLU A 10 0.681 5.555 5.274 1.00 1.00 O ATOM 129 CB GLU A 10 1.828 3.696 3.904 1.00 1.00 C ATOM 130 CG GLU A 10 2.647 2.931 3.040 1.00 1.00 C ATOM 131 CD GLU A 10 1.812 2.332 1.913 1.00 1.00 C ATOM 132 OE1 GLU A 10 1.208 3.099 1.184 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.788 1.118 1.799 1.00 1.00 O ATOM 0 H GLU A 10 3.944 3.312 6.238 1.00 1.00 H new ATOM 0 HA GLU A 10 3.666 4.670 4.600 1.00 1.00 H new ATOM 0 HB2 GLU A 10 1.080 3.053 4.368 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.289 4.450 3.330 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.435 3.559 2.624 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.137 2.135 3.602 1.00 1.00 H new ATOM 140 N ALA A 11 2.474 6.453 6.040 1.00 1.00 N ATOM 141 CA ALA A 11 1.819 7.572 6.446 1.00 1.00 C ATOM 142 C ALA A 11 2.906 8.289 7.166 1.00 1.00 C ATOM 143 O ALA A 11 3.305 7.849 8.233 1.00 1.00 O ATOM 144 CB ALA A 11 0.650 7.288 7.335 1.00 1.00 C ATOM 0 H ALA A 11 3.475 6.462 6.236 1.00 1.00 H new ATOM 0 HA ALA A 11 1.366 8.131 5.627 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.174 8.226 7.621 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.068 6.664 6.803 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.991 6.767 8.229 1.00 1.00 H new ATOM 150 N ASN A 12 3.344 9.349 6.629 1.00 1.00 N ATOM 151 CA ASN A 12 4.445 10.199 7.219 1.00 1.00 C ATOM 152 C ASN A 12 5.326 10.900 6.023 1.00 1.00 C ATOM 153 O ASN A 12 6.546 11.015 6.112 1.00 1.00 O ATOM 154 CB ASN A 12 5.360 9.336 8.155 1.00 1.00 C ATOM 155 CG ASN A 12 6.738 9.963 8.348 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.752 9.270 8.267 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.836 11.239 8.599 1.00 1.00 N ATOM 0 H ASN A 12 2.982 9.712 5.747 1.00 1.00 H new ATOM 0 HA ASN A 12 3.994 10.989 7.820 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.877 9.218 9.125 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.472 8.338 7.731 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.754 11.664 8.729 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.995 11.812 8.666 1.00 1.00 H new ATOM 164 N ASN A 13 4.617 11.456 4.994 1.00 1.00 N ATOM 165 CA ASN A 13 5.253 12.221 3.928 1.00 1.00 C ATOM 166 C ASN A 13 4.202 12.620 2.805 1.00 1.00 C ATOM 167 O ASN A 13 3.150 11.993 2.679 1.00 1.00 O ATOM 168 CB ASN A 13 6.408 11.457 3.288 1.00 1.00 C ATOM 169 CG ASN A 13 7.695 12.330 3.185 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.088 12.729 2.089 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.361 12.631 4.270 1.00 1.00 N ATOM 0 H ASN A 13 3.604 11.376 4.900 1.00 1.00 H new ATOM 0 HA ASN A 13 5.651 13.125 4.389 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.621 10.563 3.874 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.115 11.123 2.293 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.207 13.197 4.208 1.00 1.00 H new ATOM 0 HD22 ASN A 13 8.034 12.300 5.178 1.00 1.00 H new ATOM 178 N PRO A 14 4.525 13.650 1.986 1.00 1.00 N ATOM 179 CA PRO A 14 3.660 14.124 0.851 1.00 1.00 C ATOM 180 C PRO A 14 3.973 13.400 -0.499 1.00 1.00 C ATOM 181 O PRO A 14 3.073 13.154 -1.300 1.00 1.00 O ATOM 182 CB PRO A 14 3.980 15.637 0.761 1.00 1.00 C ATOM 183 CG PRO A 14 5.112 15.849 1.744 1.00 1.00 C ATOM 184 CD PRO A 14 5.678 14.455 2.065 1.00 1.00 C ATOM 0 HA PRO A 14 2.606 13.911 1.030 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.275 15.920 -0.250 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.111 16.242 1.021 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.882 16.491 1.317 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.753 16.340 2.649 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.440 14.149 1.349 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.136 14.417 3.053 1.00 1.00 H new ATOM 192 N GLY A 15 5.209 13.049 -0.700 1.00 1.00 N ATOM 193 CA GLY A 15 5.612 12.310 -1.948 1.00 1.00 C ATOM 194 C GLY A 15 4.772 11.122 -2.046 1.00 1.00 C ATOM 195 O GLY A 15 4.129 10.813 -3.045 1.00 1.00 O ATOM 0 H GLY A 15 5.973 13.240 -0.052 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.484 12.943 -2.826 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.665 12.032 -1.906 1.00 1.00 H new ATOM 199 N GLY A 16 4.808 10.523 -1.025 1.00 1.00 N ATOM 200 CA GLY A 16 4.115 9.329 -0.753 1.00 1.00 C ATOM 201 C GLY A 16 3.859 9.327 0.664 1.00 1.00 C ATOM 202 O GLY A 16 4.015 10.348 1.297 1.00 1.00 O ATOM 0 H GLY A 16 5.367 10.840 -0.233 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.183 9.283 -1.317 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.707 8.461 -1.043 1.00 1.00 H new ATOM 206 N PRO A 17 3.489 8.253 1.237 1.00 1.00 N ATOM 207 CA PRO A 17 3.230 8.205 2.720 1.00 1.00 C ATOM 208 C PRO A 17 4.513 8.359 3.314 1.00 1.00 C ATOM 209 O PRO A 17 5.311 9.065 2.752 1.00 1.00 O ATOM 210 CB PRO A 17 2.708 6.763 2.827 1.00 1.00 C ATOM 211 CG PRO A 17 2.229 6.464 1.510 1.00 1.00 C ATOM 212 CD PRO A 17 3.258 6.998 0.641 1.00 1.00 C ATOM 0 HA PRO A 17 2.559 8.934 3.174 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.498 6.075 3.129 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.913 6.681 3.568 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.099 5.392 1.365 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.262 6.931 1.320 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.153 6.376 0.631 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.920 7.088 -0.391 1.00 1.00 H new ATOM 220 N ASN A 18 4.833 7.656 4.506 1.00 1.00 N ATOM 221 CA ASN A 18 6.212 7.749 5.040 1.00 1.00 C ATOM 222 C ASN A 18 7.174 7.713 3.838 1.00 1.00 C ATOM 223 O ASN A 18 8.390 7.826 3.981 1.00 1.00 O ATOM 224 CB ASN A 18 6.610 6.481 5.984 1.00 1.00 C ATOM 225 CG ASN A 18 5.417 5.751 6.514 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.579 6.321 7.108 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.335 4.478 6.346 1.00 1.00 N ATOM 0 H ASN A 18 4.187 7.078 5.044 1.00 1.00 H new ATOM 0 HA ASN A 18 6.277 8.661 5.633 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.228 5.789 5.412 1.00 1.00 H new ATOM 0 HB3 ASN A 18 7.215 6.833 6.820 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.542 3.963 6.729 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.063 3.984 5.830 1.00 1.00 H new ATOM 234 N ARG A 19 6.500 7.449 2.623 1.00 1.00 N ATOM 235 CA ARG A 19 7.065 7.294 1.409 1.00 1.00 C ATOM 236 C ARG A 19 7.384 6.017 1.382 1.00 1.00 C ATOM 237 O ARG A 19 8.296 5.636 1.987 1.00 1.00 O ATOM 238 CB ARG A 19 8.252 8.312 1.139 1.00 1.00 C ATOM 239 CG ARG A 19 7.667 9.549 0.409 1.00 1.00 C ATOM 240 CD ARG A 19 7.750 9.363 -1.180 1.00 1.00 C ATOM 241 NE ARG A 19 8.816 10.201 -1.717 1.00 1.00 N ATOM 242 CZ ARG A 19 8.857 10.509 -2.999 1.00 1.00 C ATOM 243 NH1 ARG A 19 7.941 10.056 -3.800 1.00 1.00 N ATOM 244 NH2 ARG A 19 9.810 11.265 -3.458 1.00 1.00 N ATOM 0 H ARG A 19 5.485 7.354 2.588 1.00 1.00 H new ATOM 0 HA ARG A 19 6.400 7.543 0.582 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.720 8.609 2.078 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.026 7.842 0.532 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.630 9.697 0.709 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.215 10.444 0.704 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.938 8.317 -1.424 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.798 9.631 -1.638 1.00 1.00 H new ATOM 0 HE ARG A 19 9.541 10.554 -1.092 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.193 9.464 -3.437 1.00 1.00 H new ATOM 0 HH12 ARG A 19 7.969 10.292 -4.792 1.00 1.00 H new ATOM 0 HH21 ARG A 19 10.528 11.621 -2.826 1.00 1.00 H new ATOM 0 HH22 ARG A 19 9.840 11.502 -4.450 1.00 1.00 H new ATOM 258 N CYS A 20 6.456 5.181 0.582 1.00 1.00 N ATOM 259 CA CYS A 20 6.612 3.702 0.437 1.00 1.00 C ATOM 260 C CYS A 20 8.105 3.616 0.836 1.00 1.00 C ATOM 261 O CYS A 20 8.911 4.308 0.224 1.00 1.00 O ATOM 262 CB CYS A 20 6.265 3.310 -1.070 1.00 1.00 C ATOM 263 SG CYS A 20 6.192 1.433 -1.508 1.00 1.00 S ATOM 0 H CYS A 20 5.653 5.561 0.080 1.00 1.00 H new ATOM 0 HA CYS A 20 5.982 3.027 1.015 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.300 3.751 -1.318 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.006 3.778 -1.718 1.00 1.00 H new ATOM 268 N SER A 21 8.435 2.957 1.859 1.00 1.00 N ATOM 269 CA SER A 21 9.915 3.044 2.369 1.00 1.00 C ATOM 270 C SER A 21 10.592 1.743 2.832 1.00 1.00 C ATOM 271 O SER A 21 11.670 1.789 3.424 1.00 1.00 O ATOM 272 CB SER A 21 9.902 4.067 3.525 1.00 1.00 C ATOM 273 OG SER A 21 11.007 3.832 4.397 1.00 1.00 O ATOM 0 H SER A 21 7.814 2.356 2.401 1.00 1.00 H new ATOM 0 HA SER A 21 10.523 3.327 1.509 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.952 5.080 3.126 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.967 3.989 4.080 1.00 1.00 H new ATOM 0 HG SER A 21 11.752 3.452 3.886 1.00 1.00 H new ATOM 279 N ASN A 22 10.045 0.665 2.542 1.00 1.00 N ATOM 280 CA ASN A 22 10.685 -0.627 2.911 1.00 1.00 C ATOM 281 C ASN A 22 10.141 -1.637 2.129 1.00 1.00 C ATOM 282 O ASN A 22 9.177 -1.438 1.473 1.00 1.00 O ATOM 283 CB ASN A 22 10.451 -0.966 4.395 1.00 1.00 C ATOM 284 CG ASN A 22 11.635 -0.511 5.272 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.688 -0.127 4.759 1.00 1.00 O ATOM 286 ND2 ASN A 22 11.514 -0.540 6.566 1.00 1.00 N ATOM 0 H ASN A 22 9.155 0.581 2.051 1.00 1.00 H new ATOM 0 HA ASN A 22 11.758 -0.539 2.743 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.536 -0.485 4.739 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.307 -2.041 4.505 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.291 -0.245 7.158 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.642 -0.858 6.990 1.00 1.00 H new ATOM 293 N ASN A 23 10.717 -2.828 2.224 1.00 1.00 N ATOM 294 CA ASN A 23 10.182 -3.875 1.521 1.00 1.00 C ATOM 295 C ASN A 23 9.824 -3.441 0.036 1.00 1.00 C ATOM 296 O ASN A 23 8.717 -3.491 -0.347 1.00 1.00 O ATOM 297 CB ASN A 23 8.881 -4.346 2.329 1.00 1.00 C ATOM 298 CG ASN A 23 8.462 -3.389 3.508 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.634 -3.784 4.739 1.00 1.00 O flip ATOM 300 ND2 ASN A 23 7.986 -2.292 3.300 1.00 1.00 N flip ATOM 0 H ASN A 23 11.541 -3.044 2.785 1.00 1.00 H new ATOM 0 HA ASN A 23 10.895 -4.695 1.430 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.047 -4.430 1.632 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.061 -5.342 2.733 1.00 1.00 H new ATOM 0 HD21 ASN A 23 7.846 -1.970 2.342 1.00 1.00 H new ATOM 0 HD22 ASN A 23 7.726 -1.692 4.083 1.00 1.00 H new ATOM 307 N LYS A 24 10.840 -2.881 -0.683 1.00 1.00 N ATOM 308 CA LYS A 24 10.673 -2.277 -2.070 1.00 1.00 C ATOM 309 C LYS A 24 10.066 -0.951 -1.943 1.00 1.00 C ATOM 310 O LYS A 24 9.854 -0.284 -2.923 1.00 1.00 O ATOM 311 CB LYS A 24 9.863 -3.151 -3.060 1.00 1.00 C ATOM 312 CG LYS A 24 10.762 -4.202 -3.699 1.00 1.00 C ATOM 313 CD LYS A 24 9.884 -5.413 -4.206 1.00 1.00 C ATOM 314 CE LYS A 24 10.529 -6.063 -5.442 1.00 1.00 C ATOM 315 NZ LYS A 24 10.353 -5.171 -6.623 1.00 1.00 N ATOM 0 H LYS A 24 11.797 -2.828 -0.334 1.00 1.00 H new ATOM 0 HA LYS A 24 11.671 -2.210 -2.503 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.040 -3.637 -2.536 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.422 -2.522 -3.833 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.313 -3.766 -4.532 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.500 -4.552 -2.977 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.779 -6.152 -3.412 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.881 -5.065 -4.452 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.589 -6.240 -5.261 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.073 -7.034 -5.635 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.487 -5.720 -7.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.395 -4.766 -6.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 11.054 -4.404 -6.586 1.00 1.00 H new ATOM 329 N GLN A 25 9.802 -0.607 -0.692 1.00 1.00 N ATOM 330 CA GLN A 25 9.220 0.608 -0.284 1.00 1.00 C ATOM 331 C GLN A 25 7.911 0.373 0.251 1.00 1.00 C ATOM 332 O GLN A 25 7.396 1.240 0.846 1.00 1.00 O ATOM 333 CB GLN A 25 9.214 1.704 -1.348 1.00 1.00 C ATOM 334 CG GLN A 25 10.616 2.352 -1.431 1.00 1.00 C ATOM 335 CD GLN A 25 11.064 2.541 -2.902 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.151 2.104 -3.282 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.280 3.169 -3.736 1.00 1.00 N ATOM 0 H GLN A 25 10.011 -1.224 0.093 1.00 1.00 H new ATOM 0 HA GLN A 25 9.864 1.004 0.501 1.00 1.00 H new ATOM 0 HB2 GLN A 25 8.938 1.285 -2.315 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.467 2.459 -1.103 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.603 3.318 -0.926 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.339 1.728 -0.906 1.00 1.00 H new ATOM 0 HE21 GLN A 25 9.381 3.529 -3.417 1.00 1.00 H new ATOM 0 HE22 GLN A 25 10.567 3.299 -4.706 1.00 1.00 H new ATOM 346 N CYS A 26 7.296 -0.842 0.137 1.00 1.00 N ATOM 347 CA CYS A 26 5.931 -0.979 0.818 1.00 1.00 C ATOM 348 C CYS A 26 5.977 -2.130 1.711 1.00 1.00 C ATOM 349 O CYS A 26 6.760 -2.955 1.520 1.00 1.00 O ATOM 350 CB CYS A 26 4.913 -1.155 -0.216 1.00 1.00 C ATOM 351 SG CYS A 26 4.408 0.590 -0.871 1.00 1.00 S ATOM 0 H CYS A 26 7.653 -1.662 -0.353 1.00 1.00 H new ATOM 0 HA CYS A 26 5.686 -0.091 1.401 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.300 -1.769 -1.029 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.045 -1.674 0.190 1.00 1.00 H new ATOM 356 N ASP A 27 5.142 -2.237 2.555 1.00 1.00 N ATOM 357 CA ASP A 27 5.009 -3.376 3.457 1.00 1.00 C ATOM 358 C ASP A 27 3.718 -3.831 3.199 1.00 1.00 C ATOM 359 O ASP A 27 2.841 -3.072 2.784 1.00 1.00 O ATOM 360 CB ASP A 27 5.301 -3.061 5.012 1.00 1.00 C ATOM 361 CG ASP A 27 5.817 -4.305 5.756 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.341 -5.376 5.478 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.688 -4.148 6.597 1.00 1.00 O ATOM 0 H ASP A 27 4.435 -1.519 2.716 1.00 1.00 H new ATOM 0 HA ASP A 27 5.771 -4.132 3.270 1.00 1.00 H new ATOM 0 HB2 ASP A 27 6.036 -2.260 5.089 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.388 -2.704 5.489 1.00 1.00 H new ATOM 368 N GLY A 28 3.562 -5.126 3.303 1.00 1.00 N ATOM 369 CA GLY A 28 2.410 -5.770 2.961 1.00 1.00 C ATOM 370 C GLY A 28 2.767 -7.190 2.249 1.00 1.00 C ATOM 371 O GLY A 28 2.012 -7.676 1.521 1.00 1.00 O ATOM 0 H GLY A 28 4.292 -5.749 3.648 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.800 -5.940 3.848 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.822 -5.150 2.284 1.00 1.00 H new ATOM 375 N ALA A 29 3.978 -7.794 2.596 1.00 1.00 N ATOM 376 CA ALA A 29 4.441 -9.150 2.067 1.00 1.00 C ATOM 377 C ALA A 29 5.833 -9.150 1.595 1.00 1.00 C ATOM 378 O ALA A 29 6.459 -10.206 1.543 1.00 1.00 O ATOM 379 CB ALA A 29 3.495 -9.720 0.945 1.00 1.00 C ATOM 0 H ALA A 29 4.645 -7.363 3.236 1.00 1.00 H new ATOM 0 HA ALA A 29 4.387 -9.811 2.932 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.872 -10.685 0.606 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.489 -9.844 1.346 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.468 -9.026 0.105 1.00 1.00 H new ATOM 385 N ARG A 30 6.312 -8.033 1.116 1.00 1.00 N ATOM 386 CA ARG A 30 7.667 -8.006 0.476 1.00 1.00 C ATOM 387 C ARG A 30 8.770 -8.859 1.304 1.00 1.00 C ATOM 388 O ARG A 30 8.515 -9.420 2.363 1.00 1.00 O ATOM 389 CB ARG A 30 8.166 -6.500 0.181 1.00 1.00 C ATOM 390 CG ARG A 30 7.711 -5.998 -1.118 1.00 1.00 C ATOM 391 CD ARG A 30 6.476 -5.142 -1.070 1.00 1.00 C ATOM 392 NE ARG A 30 5.938 -5.109 -2.495 1.00 1.00 N ATOM 393 CZ ARG A 30 5.756 -4.009 -3.212 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.107 -2.866 -2.778 1.00 1.00 N ATOM 395 NH2 ARG A 30 5.249 -4.121 -4.416 1.00 1.00 N ATOM 0 H ARG A 30 5.826 -7.136 1.139 1.00 1.00 H new ATOM 0 HA ARG A 30 7.558 -8.503 -0.488 1.00 1.00 H new ATOM 0 HB2 ARG A 30 7.802 -5.840 0.969 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.255 -6.469 0.217 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.518 -5.421 -1.571 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.521 -6.848 -1.773 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.739 -5.558 -0.383 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.710 -4.138 -0.717 1.00 1.00 H new ATOM 0 HE ARG A 30 5.700 -6.000 -2.930 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.540 -2.781 -1.858 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.956 -2.035 -3.350 1.00 1.00 H new ATOM 0 HH21 ARG A 30 5.004 -5.041 -4.783 1.00 1.00 H new ATOM 0 HH22 ARG A 30 5.100 -3.288 -4.986 1.00 1.00 H new ATOM 409 N THR A 31 9.898 -8.945 0.687 1.00 1.00 N ATOM 410 CA THR A 31 11.010 -9.667 1.093 1.00 1.00 C ATOM 411 C THR A 31 12.243 -8.939 0.890 1.00 1.00 C ATOM 412 O THR A 31 12.361 -8.437 -0.041 1.00 1.00 O ATOM 413 CB THR A 31 11.049 -10.840 0.030 1.00 1.00 C ATOM 414 OG1 THR A 31 11.395 -10.408 -1.230 1.00 1.00 O ATOM 415 CG2 THR A 31 9.675 -11.479 -0.021 1.00 1.00 C ATOM 0 H THR A 31 10.059 -8.459 -0.195 1.00 1.00 H new ATOM 0 HA THR A 31 10.938 -9.937 2.147 1.00 1.00 H new ATOM 0 HB THR A 31 11.813 -11.552 0.342 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.851 -11.131 -1.710 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.678 -12.291 -0.748 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.420 -11.874 0.963 1.00 1.00 H new ATOM 0 HG23 THR A 31 8.937 -10.732 -0.314 1.00 1.00 H new ATOM 423 N CYS A 32 13.144 -8.831 1.765 1.00 1.00 N ATOM 424 CA CYS A 32 14.421 -7.944 1.367 1.00 1.00 C ATOM 425 C CYS A 32 15.375 -8.700 0.525 1.00 1.00 C ATOM 426 O CYS A 32 15.121 -9.804 0.077 1.00 1.00 O ATOM 427 CB CYS A 32 15.105 -7.181 2.645 1.00 1.00 C ATOM 428 SG CYS A 32 16.500 -6.135 2.168 1.00 1.00 S ATOM 0 H CYS A 32 13.143 -9.248 2.696 1.00 1.00 H new ATOM 0 HA CYS A 32 14.058 -7.129 0.741 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.352 -6.571 3.144 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.443 -7.924 3.368 1.00 1.00 H new ATOM 433 N SER A 33 16.448 -8.113 0.362 1.00 1.00 N ATOM 434 CA SER A 33 17.556 -8.765 -0.451 1.00 1.00 C ATOM 435 C SER A 33 18.222 -9.782 0.386 1.00 1.00 C ATOM 436 O SER A 33 19.115 -10.523 -0.026 1.00 1.00 O ATOM 437 CB SER A 33 18.436 -7.814 -1.071 1.00 1.00 C ATOM 438 OG SER A 33 19.562 -8.485 -1.632 1.00 1.00 O ATOM 0 H SER A 33 16.670 -7.191 0.738 1.00 1.00 H new ATOM 0 HA SER A 33 17.126 -9.280 -1.310 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.904 -7.267 -1.849 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.768 -7.081 -0.336 1.00 1.00 H new ATOM 0 HG SER A 33 19.544 -9.429 -1.371 1.00 1.00 H new ATOM 444 N SER A 34 17.693 -9.849 1.472 1.00 1.00 N ATOM 445 CA SER A 34 17.941 -10.745 2.513 1.00 1.00 C ATOM 446 C SER A 34 16.481 -11.377 2.911 1.00 1.00 C ATOM 447 O SER A 34 16.358 -12.036 3.943 1.00 1.00 O ATOM 448 CB SER A 34 18.521 -10.001 3.651 1.00 1.00 C ATOM 449 OG SER A 34 19.001 -10.916 4.628 1.00 1.00 O ATOM 0 H SER A 34 16.957 -9.190 1.726 1.00 1.00 H new ATOM 0 HA SER A 34 18.642 -11.533 2.236 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.335 -9.364 3.304 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.769 -9.346 4.091 1.00 1.00 H new ATOM 0 HG SER A 34 18.377 -11.668 4.706 1.00 1.00 H new ATOM 455 N SER A 35 15.364 -11.145 1.987 1.00 1.00 N ATOM 456 CA SER A 35 14.098 -11.631 2.173 1.00 1.00 C ATOM 457 C SER A 35 13.484 -11.007 3.294 1.00 1.00 C ATOM 458 O SER A 35 12.299 -11.201 3.580 1.00 1.00 O ATOM 459 CB SER A 35 14.096 -13.070 2.341 1.00 1.00 C ATOM 460 OG SER A 35 14.836 -13.677 1.287 1.00 1.00 O ATOM 0 H SER A 35 15.462 -10.597 1.132 1.00 1.00 H new ATOM 0 HA SER A 35 13.524 -11.398 1.276 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.533 -13.334 3.304 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.072 -13.444 2.342 1.00 1.00 H new ATOM 0 HG SER A 35 14.834 -14.650 1.404 1.00 1.00 H new ATOM 466 N GLY A 36 14.289 -10.242 3.966 1.00 1.00 N ATOM 467 CA GLY A 36 13.855 -9.555 5.100 1.00 1.00 C ATOM 468 C GLY A 36 12.566 -8.929 4.786 1.00 1.00 C ATOM 469 O GLY A 36 11.535 -9.373 5.256 1.00 1.00 O ATOM 0 H GLY A 36 15.268 -10.089 3.725 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.751 -10.238 5.943 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.585 -8.799 5.390 1.00 1.00 H new ATOM 473 N PHE A 37 12.621 -7.913 3.982 1.00 1.00 N ATOM 474 CA PHE A 37 11.527 -7.231 3.590 1.00 1.00 C ATOM 475 C PHE A 37 12.008 -5.996 2.858 1.00 1.00 C ATOM 476 O PHE A 37 11.974 -4.919 3.415 1.00 1.00 O ATOM 477 CB PHE A 37 10.592 -6.819 4.869 1.00 1.00 C ATOM 478 CG PHE A 37 11.412 -6.099 5.977 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.080 -6.838 6.983 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.490 -4.692 5.987 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.813 -6.174 7.967 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.225 -4.039 6.982 1.00 1.00 C ATOM 483 CZ PHE A 37 12.886 -4.778 7.967 1.00 1.00 C ATOM 0 H PHE A 37 13.492 -7.556 3.589 1.00 1.00 H new ATOM 0 HA PHE A 37 10.910 -7.851 2.940 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.784 -6.168 4.534 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.129 -7.714 5.284 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.022 -7.916 6.989 1.00 1.00 H new ATOM 0 HD2 PHE A 37 10.982 -4.118 5.226 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.325 -6.740 8.731 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.282 -2.961 6.989 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.455 -4.269 8.731 1.00 1.00 H new ATOM 493 N CYS A 38 12.541 -6.138 1.484 1.00 1.00 N ATOM 494 CA CYS A 38 13.057 -4.972 0.649 1.00 1.00 C ATOM 495 C CYS A 38 13.181 -5.377 -0.753 1.00 1.00 C ATOM 496 O CYS A 38 13.903 -4.786 -1.557 1.00 1.00 O ATOM 497 CB CYS A 38 14.407 -4.379 1.193 1.00 1.00 C ATOM 498 SG CYS A 38 15.814 -5.266 0.552 1.00 1.00 S ATOM 0 H CYS A 38 12.597 -7.036 1.003 1.00 1.00 H new ATOM 0 HA CYS A 38 12.325 -4.168 0.726 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.481 -3.327 0.916 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.413 -4.423 2.282 1.00 1.00 H new ATOM 503 N GLN A 39 12.502 -6.416 -1.014 1.00 1.00 N ATOM 504 CA GLN A 39 12.463 -7.068 -2.280 1.00 1.00 C ATOM 505 C GLN A 39 11.292 -8.033 -2.292 1.00 1.00 C ATOM 506 O GLN A 39 10.851 -8.414 -1.323 1.00 1.00 O ATOM 507 CB GLN A 39 13.876 -7.763 -2.475 1.00 1.00 C ATOM 508 CG GLN A 39 13.857 -9.258 -2.264 1.00 1.00 C ATOM 509 CD GLN A 39 13.109 -9.960 -3.411 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.518 -11.020 -3.208 1.00 1.00 O ATOM 511 NE2 GLN A 39 13.108 -9.428 -4.610 1.00 1.00 N ATOM 0 H GLN A 39 11.917 -6.874 -0.315 1.00 1.00 H new ATOM 0 HA GLN A 39 12.302 -6.388 -3.116 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.238 -7.553 -3.482 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.588 -7.317 -1.781 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.878 -9.635 -2.205 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.376 -9.490 -1.314 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.598 -8.549 -4.778 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.617 -9.893 -5.374 1.00 1.00 H new ATOM 520 N GLY A 40 10.759 -8.334 -3.435 1.00 1.00 N ATOM 521 CA GLY A 40 9.579 -9.270 -3.489 1.00 1.00 C ATOM 522 C GLY A 40 8.244 -8.628 -3.867 1.00 1.00 C ATOM 523 O GLY A 40 8.060 -8.159 -4.991 1.00 1.00 O ATOM 0 H GLY A 40 11.077 -7.982 -4.338 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.798 -10.061 -4.207 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.470 -9.745 -2.514 1.00 1.00 H new ATOM 527 N THR A 41 7.262 -8.684 -2.900 1.00 1.00 N ATOM 528 CA THR A 41 5.872 -8.160 -3.167 1.00 1.00 C ATOM 529 C THR A 41 5.088 -7.552 -1.850 1.00 1.00 C ATOM 530 O THR A 41 5.169 -8.080 -0.821 1.00 1.00 O ATOM 531 CB THR A 41 5.049 -9.388 -3.736 1.00 1.00 C ATOM 532 OG1 THR A 41 4.430 -9.012 -4.956 1.00 1.00 O ATOM 533 CG2 THR A 41 3.977 -9.859 -2.747 1.00 1.00 C ATOM 0 H THR A 41 7.399 -9.070 -1.966 1.00 1.00 H new ATOM 0 HA THR A 41 5.955 -7.319 -3.855 1.00 1.00 H new ATOM 0 HB THR A 41 5.743 -10.213 -3.899 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.921 -9.770 -5.312 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.434 -10.702 -3.173 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.452 -10.167 -1.815 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.282 -9.043 -2.548 1.00 1.00 H new ATOM 541 N SER A 42 4.301 -6.468 -2.051 1.00 1.00 N ATOM 542 CA SER A 42 3.461 -5.839 -0.977 1.00 1.00 C ATOM 543 C SER A 42 2.188 -6.232 -1.191 1.00 1.00 C ATOM 544 O SER A 42 1.378 -5.431 -1.698 1.00 1.00 O ATOM 545 CB SER A 42 3.472 -4.211 -1.044 1.00 1.00 C ATOM 546 OG SER A 42 3.270 -3.810 -2.396 1.00 1.00 O ATOM 0 H SER A 42 4.223 -5.999 -2.954 1.00 1.00 H new ATOM 0 HA SER A 42 3.860 -6.145 -0.010 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.688 -3.801 -0.407 1.00 1.00 H new ATOM 0 HB3 SER A 42 4.421 -3.824 -0.672 1.00 1.00 H new ATOM 0 HG SER A 42 2.430 -4.190 -2.728 1.00 1.00 H new ATOM 552 N ARG A 43 1.832 -7.480 -0.835 1.00 1.00 N ATOM 553 CA ARG A 43 0.485 -7.955 -1.026 1.00 1.00 C ATOM 554 C ARG A 43 -0.195 -7.310 -2.080 1.00 1.00 C ATOM 555 O ARG A 43 -1.070 -6.498 -1.846 1.00 1.00 O ATOM 556 CB ARG A 43 -0.285 -7.875 0.284 1.00 1.00 C ATOM 557 CG ARG A 43 -0.172 -6.346 0.991 1.00 1.00 C ATOM 558 CD ARG A 43 -1.476 -5.460 0.545 1.00 1.00 C ATOM 559 NE ARG A 43 -1.999 -4.707 1.706 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.495 -3.534 2.056 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.500 -3.019 1.388 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.996 -2.893 3.075 1.00 1.00 N ATOM 0 H ARG A 43 2.467 -8.160 -0.418 1.00 1.00 H new ATOM 0 HA ARG A 43 0.551 -8.999 -1.332 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.333 -8.115 0.104 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.099 -8.624 0.977 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.129 -6.434 2.077 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.746 -5.851 0.675 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.201 -4.770 -0.252 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.251 -6.114 0.147 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.767 -5.101 2.250 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -0.107 -3.520 0.592 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -0.115 -2.115 1.662 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.773 -3.296 3.599 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.611 -1.989 3.348 1.00 1.00 H new ATOM 576 N LYS A 44 0.149 -7.739 -3.355 1.00 1.00 N ATOM 577 CA LYS A 44 -0.530 -7.226 -4.491 1.00 1.00 C ATOM 578 C LYS A 44 -1.855 -7.255 -4.177 1.00 1.00 C ATOM 579 O LYS A 44 -2.391 -8.290 -4.167 1.00 1.00 O ATOM 580 CB LYS A 44 -0.295 -8.068 -5.744 1.00 1.00 C ATOM 581 CG LYS A 44 -1.206 -7.482 -6.891 1.00 1.00 C ATOM 582 CD LYS A 44 -0.751 -8.009 -8.265 1.00 1.00 C ATOM 583 CE LYS A 44 -1.804 -7.641 -9.345 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.595 -8.491 -10.556 1.00 1.00 N ATOM 0 H LYS A 44 0.879 -8.421 -3.560 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.165 -6.224 -4.717 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.755 -8.036 -6.035 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.542 -9.113 -5.555 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.245 -7.759 -6.715 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.160 -6.393 -6.879 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.217 -7.581 -8.527 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.621 -9.090 -8.225 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.810 -7.790 -8.953 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.717 -6.587 -9.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.300 -8.244 -11.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.640 -8.328 -10.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.699 -9.493 -10.299 1.00 1.00 H new ATOM 598 N PRO A 45 -2.504 -6.102 -3.844 1.00 1.00 N ATOM 599 CA PRO A 45 -3.900 -6.119 -3.521 1.00 1.00 C ATOM 600 C PRO A 45 -4.558 -6.723 -4.684 1.00 1.00 C ATOM 601 O PRO A 45 -5.242 -6.077 -5.477 1.00 1.00 O ATOM 602 CB PRO A 45 -4.237 -4.664 -3.301 1.00 1.00 C ATOM 603 CG PRO A 45 -2.947 -4.077 -2.909 1.00 1.00 C ATOM 604 CD PRO A 45 -1.960 -4.751 -3.748 1.00 1.00 C ATOM 0 HA PRO A 45 -4.204 -6.687 -2.642 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.632 -4.201 -4.205 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -4.990 -4.538 -2.523 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -2.936 -3.000 -3.074 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -2.744 -4.240 -1.851 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -1.868 -4.279 -4.726 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -0.968 -4.743 -3.296 1.00 1.00 H new ATOM 612 N ASP A 46 -4.209 -7.983 -4.842 1.00 1.00 N ATOM 613 CA ASP A 46 -4.607 -8.748 -5.982 1.00 1.00 C ATOM 614 C ASP A 46 -6.041 -9.316 -5.801 1.00 1.00 C ATOM 615 O ASP A 46 -6.591 -9.265 -4.696 1.00 1.00 O ATOM 616 CB ASP A 46 -3.538 -9.981 -6.315 1.00 1.00 C ATOM 617 CG ASP A 46 -4.202 -11.381 -6.204 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.839 -11.633 -5.218 1.00 1.00 O ATOM 619 OD2 ASP A 46 -4.031 -12.164 -7.116 1.00 1.00 O ATOM 0 H ASP A 46 -3.637 -8.499 -4.173 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.603 -8.067 -6.833 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.137 -9.850 -7.320 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.696 -9.925 -5.626 1.00 1.00 H new ATOM 624 N PRO A 47 -6.645 -9.901 -6.859 1.00 1.00 N ATOM 625 CA PRO A 47 -8.004 -10.517 -6.755 1.00 1.00 C ATOM 626 C PRO A 47 -7.967 -11.831 -5.909 1.00 1.00 C ATOM 627 O PRO A 47 -8.345 -12.904 -6.379 1.00 1.00 O ATOM 628 CB PRO A 47 -8.404 -10.795 -8.253 1.00 1.00 C ATOM 629 CG PRO A 47 -7.374 -10.057 -9.082 1.00 1.00 C ATOM 630 CD PRO A 47 -6.114 -10.022 -8.238 1.00 1.00 C ATOM 0 HA PRO A 47 -8.723 -9.875 -6.247 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.394 -11.863 -8.472 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.411 -10.436 -8.465 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -7.196 -10.566 -10.029 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.713 -9.049 -9.321 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.518 -10.926 -8.364 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.475 -9.179 -8.501 1.00 1.00 H new ATOM 638 N GLY A 48 -7.523 -11.700 -4.654 1.00 1.00 N ATOM 639 CA GLY A 48 -7.445 -12.836 -3.718 1.00 1.00 C ATOM 640 C GLY A 48 -7.878 -12.331 -2.394 1.00 1.00 C ATOM 641 O GLY A 48 -9.006 -12.575 -1.964 1.00 1.00 O ATOM 0 H GLY A 48 -7.209 -10.814 -4.258 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.086 -13.654 -4.048 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.429 -13.227 -3.669 1.00 1.00 H new ATOM 645 N PRO A 49 -7.041 -11.526 -1.758 1.00 1.00 N ATOM 646 CA PRO A 49 -7.396 -10.888 -0.531 1.00 1.00 C ATOM 647 C PRO A 49 -8.698 -10.173 -0.725 1.00 1.00 C ATOM 648 O PRO A 49 -9.740 -10.647 -0.285 1.00 1.00 O ATOM 649 CB PRO A 49 -6.216 -9.874 -0.245 1.00 1.00 C ATOM 650 CG PRO A 49 -5.310 -9.926 -1.433 1.00 1.00 C ATOM 651 CD PRO A 49 -5.685 -11.181 -2.202 1.00 1.00 C ATOM 0 HA PRO A 49 -7.525 -11.580 0.301 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.600 -8.865 -0.095 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.680 -10.150 0.663 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.432 -9.039 -2.054 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.265 -9.957 -1.124 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.658 -11.005 -3.277 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.986 -11.991 -1.994 1.00 1.00 H new ATOM 659 N LYS A 50 -8.622 -9.028 -1.422 1.00 1.00 N ATOM 660 CA LYS A 50 -9.792 -8.173 -1.737 1.00 1.00 C ATOM 661 C LYS A 50 -10.332 -7.516 -0.505 1.00 1.00 C ATOM 662 O LYS A 50 -11.539 -7.478 -0.320 1.00 1.00 O ATOM 663 CB LYS A 50 -10.968 -9.142 -2.384 1.00 1.00 C ATOM 664 CG LYS A 50 -11.113 -8.863 -4.008 1.00 1.00 C ATOM 665 CD LYS A 50 -12.053 -7.561 -4.302 1.00 1.00 C ATOM 666 CE LYS A 50 -11.388 -6.219 -3.772 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.994 -6.094 -4.298 1.00 1.00 N ATOM 0 H LYS A 50 -7.743 -8.662 -1.788 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.487 -7.392 -2.433 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.723 -10.189 -2.209 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.920 -8.950 -1.889 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -10.126 -8.707 -4.442 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.540 -9.740 -4.494 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -12.234 -7.478 -5.374 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -13.023 -7.698 -3.825 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.982 -5.361 -4.086 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.375 -6.216 -2.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.335 -5.951 -3.506 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.737 -6.962 -4.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.939 -5.281 -4.945 1.00 1.00 H new ATOM 681 N GLY A 51 -9.464 -7.070 0.435 1.00 1.00 N ATOM 682 CA GLY A 51 -9.901 -6.597 1.555 1.00 1.00 C ATOM 683 C GLY A 51 -8.928 -6.990 2.495 1.00 1.00 C ATOM 684 O GLY A 51 -8.218 -6.225 2.897 1.00 1.00 O ATOM 0 H GLY A 51 -8.449 -7.074 0.335 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.004 -5.513 1.517 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.882 -7.002 1.803 1.00 1.00 H new ATOM 688 N PRO A 52 -8.862 -8.280 2.826 1.00 1.00 N ATOM 689 CA PRO A 52 -7.834 -8.868 3.763 1.00 1.00 C ATOM 690 C PRO A 52 -6.431 -8.158 3.718 1.00 1.00 C ATOM 691 O PRO A 52 -5.500 -8.666 4.180 1.00 1.00 O ATOM 692 CB PRO A 52 -7.716 -10.284 3.258 1.00 1.00 C ATOM 693 CG PRO A 52 -9.107 -10.644 2.794 1.00 1.00 C ATOM 694 CD PRO A 52 -9.780 -9.310 2.364 1.00 1.00 C ATOM 0 HA PRO A 52 -8.140 -8.764 4.804 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -6.996 -10.355 2.443 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.374 -10.957 4.044 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.070 -11.347 1.962 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.671 -11.125 3.593 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.918 -9.264 1.284 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.765 -9.197 2.817 1.00 1.00 H new ATOM 702 N THR A 53 -6.385 -6.971 3.203 1.00 1.00 N ATOM 703 CA THR A 53 -5.182 -6.166 3.170 1.00 1.00 C ATOM 704 C THR A 53 -5.656 -4.804 3.419 1.00 1.00 C ATOM 705 O THR A 53 -6.825 -4.545 3.227 1.00 1.00 O ATOM 706 CB THR A 53 -4.385 -6.272 1.868 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.299 -5.013 1.242 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.019 -7.252 0.940 1.00 1.00 C ATOM 0 H THR A 53 -7.194 -6.515 2.782 1.00 1.00 H new ATOM 0 HA THR A 53 -4.465 -6.512 3.914 1.00 1.00 H new ATOM 0 HB THR A 53 -3.381 -6.619 2.113 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.066 -5.132 0.298 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.436 -7.312 0.021 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.051 -8.233 1.414 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.033 -6.928 0.706 1.00 1.00 H new ATOM 716 N TYR A 54 -4.883 -3.981 3.827 1.00 1.00 N ATOM 717 CA TYR A 54 -5.375 -2.603 4.161 1.00 1.00 C ATOM 718 C TYR A 54 -4.382 -1.843 4.979 1.00 1.00 C ATOM 719 O TYR A 54 -3.880 -2.352 5.961 1.00 1.00 O ATOM 720 CB TYR A 54 -6.756 -2.751 5.014 1.00 1.00 C ATOM 721 CG TYR A 54 -6.803 -1.804 6.296 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.014 -2.103 7.448 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.629 -0.681 6.313 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.070 -1.276 8.568 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.671 0.143 7.459 1.00 1.00 C ATOM 726 CZ TYR A 54 -6.895 -0.159 8.571 1.00 1.00 C ATOM 727 OH TYR A 54 -6.944 0.655 9.682 1.00 1.00 O ATOM 0 H TYR A 54 -3.886 -4.137 3.973 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.534 -2.055 3.232 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.602 -2.519 4.367 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.871 -3.788 5.331 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.373 -2.972 7.451 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.235 -0.442 5.452 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.470 -1.504 9.436 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.310 1.013 7.471 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.569 1.392 9.520 1.00 1.00 H new ATOM 737 N CYS A 55 -4.071 -0.515 4.560 1.00 1.00 N ATOM 738 CA CYS A 55 -3.071 0.315 5.411 1.00 1.00 C ATOM 739 C CYS A 55 -3.513 1.730 5.839 1.00 1.00 C ATOM 740 O CYS A 55 -3.123 2.236 6.892 1.00 1.00 O ATOM 741 CB CYS A 55 -1.763 0.452 4.721 1.00 1.00 C ATOM 742 SG CYS A 55 -0.499 0.806 6.021 1.00 1.00 S ATOM 0 H CYS A 55 -4.451 -0.048 3.737 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.009 -0.276 6.325 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.515 -0.462 4.181 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.797 1.257 3.987 1.00 1.00 H new ATOM 747 N TRP A 56 -4.292 2.334 4.988 1.00 1.00 N ATOM 748 CA TRP A 56 -4.781 3.593 5.137 1.00 1.00 C ATOM 749 C TRP A 56 -6.324 3.565 5.370 1.00 1.00 C ATOM 750 O TRP A 56 -6.800 2.922 6.309 1.00 1.00 O ATOM 751 CB TRP A 56 -4.503 4.295 3.828 1.00 1.00 C ATOM 752 CG TRP A 56 -4.884 5.725 3.928 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.313 6.392 2.929 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.864 6.679 5.102 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.529 7.645 3.284 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.280 7.878 4.637 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.508 6.597 6.512 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.376 9.012 5.460 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.610 7.727 7.328 1.00 1.00 C ATOM 760 CH2 TRP A 56 -5.043 8.928 6.801 1.00 1.00 C ATOM 0 H TRP A 56 -4.599 1.890 4.123 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.321 4.089 5.992 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.446 4.209 3.577 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.062 3.817 3.024 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.475 5.991 1.939 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.845 8.367 2.637 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.165 5.661 6.928 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.710 9.952 5.046 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.349 7.661 8.374 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -5.122 9.800 7.434 1.00 1.00 H new ATOM 771 N ASP A 57 -7.146 4.198 4.325 1.00 1.00 N ATOM 772 CA ASP A 57 -8.564 4.152 4.289 1.00 1.00 C ATOM 773 C ASP A 57 -9.163 5.382 3.537 1.00 1.00 C ATOM 774 O ASP A 57 -10.361 5.607 3.643 1.00 1.00 O ATOM 775 CB ASP A 57 -9.141 4.106 5.684 1.00 1.00 C ATOM 776 CG ASP A 57 -9.588 2.685 6.060 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.123 1.749 5.425 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.385 2.558 6.975 1.00 1.00 O ATOM 0 H ASP A 57 -6.741 4.719 3.547 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.833 3.243 3.751 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.396 4.456 6.399 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.991 4.786 5.750 1.00 1.00 H new ATOM 783 N GLU A 58 -8.328 6.205 2.831 1.00 1.00 N ATOM 784 CA GLU A 58 -8.846 7.373 2.229 1.00 1.00 C ATOM 785 C GLU A 58 -7.789 8.180 1.661 1.00 1.00 C ATOM 786 O GLU A 58 -7.370 9.086 2.302 1.00 1.00 O ATOM 787 CB GLU A 58 -9.479 8.211 3.398 1.00 1.00 C ATOM 788 CG GLU A 58 -8.427 8.279 4.534 1.00 1.00 C ATOM 789 CD GLU A 58 -9.029 8.918 5.783 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.189 10.126 5.787 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.316 8.188 6.719 1.00 1.00 O ATOM 0 H GLU A 58 -7.330 6.048 2.694 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.550 7.105 1.441 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.741 9.212 3.056 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.398 7.744 3.752 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.070 7.276 4.768 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.563 8.856 4.204 1.00 1.00 H new ATOM 798 N ALA A 59 -7.263 7.952 0.469 1.00 1.00 N ATOM 799 CA ALA A 59 -6.198 8.901 0.021 1.00 1.00 C ATOM 800 C ALA A 59 -6.238 9.145 -1.485 1.00 1.00 C ATOM 801 O ALA A 59 -5.311 9.474 -1.989 1.00 1.00 O ATOM 802 CB ALA A 59 -4.961 8.298 0.328 1.00 1.00 C ATOM 0 H ALA A 59 -7.510 7.198 -0.172 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.345 9.859 0.519 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.149 8.956 0.018 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.898 8.124 1.402 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.879 7.347 -0.199 1.00 1.00 H new ATOM 808 N LYS A 60 -7.355 8.898 -2.193 1.00 1.00 N ATOM 809 CA LYS A 60 -7.327 9.078 -3.727 1.00 1.00 C ATOM 810 C LYS A 60 -8.077 10.247 -4.177 1.00 1.00 C ATOM 811 O LYS A 60 -7.873 10.672 -5.319 1.00 1.00 O ATOM 812 CB LYS A 60 -7.815 7.834 -4.436 1.00 1.00 C ATOM 813 CG LYS A 60 -8.789 7.174 -3.468 1.00 1.00 C ATOM 814 CD LYS A 60 -9.699 6.089 -4.174 1.00 1.00 C ATOM 815 CE LYS A 60 -11.207 6.362 -3.850 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.430 6.210 -2.381 1.00 1.00 N ATOM 0 H LYS A 60 -8.246 8.594 -1.801 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.283 9.247 -3.991 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.305 8.084 -5.377 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -6.986 7.167 -4.676 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.230 6.704 -2.658 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.422 7.938 -3.017 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.540 6.114 -5.252 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.420 5.092 -3.834 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.484 7.367 -4.170 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.841 5.666 -4.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.451 6.154 -2.189 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.967 5.341 -2.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.028 7.030 -1.882 1.00 1.00 H new ATOM 872 N PRO A 65 -8.123 13.655 0.771 1.00 1.00 N ATOM 873 CA PRO A 65 -7.631 12.571 1.542 1.00 1.00 C ATOM 874 C PRO A 65 -6.150 12.470 1.421 1.00 1.00 C ATOM 875 O PRO A 65 -5.543 13.292 0.791 1.00 1.00 O ATOM 876 CB PRO A 65 -8.396 11.337 0.988 1.00 1.00 C ATOM 877 CG PRO A 65 -9.584 11.927 0.508 1.00 1.00 C ATOM 878 CD PRO A 65 -9.082 13.197 -0.157 1.00 1.00 C ATOM 0 HA PRO A 65 -7.800 12.678 2.613 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.841 10.833 0.197 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.592 10.595 1.762 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -10.102 11.278 -0.198 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -10.284 12.142 1.315 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.642 12.999 -1.134 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.882 13.922 -0.308 1.00 1.00 H new ATOM 886 N ASN A 66 -5.561 11.587 2.137 1.00 1.00 N ATOM 887 CA ASN A 66 -4.049 11.546 2.169 1.00 1.00 C ATOM 888 C ASN A 66 -3.444 11.746 0.736 1.00 1.00 C ATOM 889 O ASN A 66 -2.268 12.064 0.563 1.00 1.00 O ATOM 890 CB ASN A 66 -3.492 10.201 2.798 1.00 1.00 C ATOM 891 CG ASN A 66 -2.461 10.510 3.913 1.00 1.00 C ATOM 892 OD1 ASN A 66 -1.690 11.566 3.804 1.00 1.00 O flip ATOM 893 ND2 ASN A 66 -2.367 9.775 4.898 1.00 1.00 N flip ATOM 0 H ASN A 66 -6.032 10.884 2.707 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.737 12.371 2.809 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.315 9.616 3.208 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -3.026 9.595 2.021 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -2.967 8.954 4.981 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.689 9.987 5.630 1.00 1.00 H new ATOM 900 N ARG A 67 -4.338 11.561 -0.247 1.00 1.00 N ATOM 901 CA ARG A 67 -4.048 11.716 -1.678 1.00 1.00 C ATOM 902 C ARG A 67 -3.032 10.720 -2.233 1.00 1.00 C ATOM 903 O ARG A 67 -1.844 10.748 -1.918 1.00 1.00 O ATOM 904 CB ARG A 67 -3.539 13.138 -1.967 1.00 1.00 C ATOM 905 CG ARG A 67 -4.705 14.088 -2.004 1.00 1.00 C ATOM 906 CD ARG A 67 -5.236 14.150 -3.391 1.00 1.00 C ATOM 907 NE ARG A 67 -4.225 14.672 -4.366 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.595 15.874 -4.230 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.894 16.695 -3.261 1.00 1.00 N ATOM 910 NH2 ARG A 67 -2.689 16.217 -5.109 1.00 1.00 N ATOM 0 H ARG A 67 -5.305 11.293 -0.063 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.995 11.518 -2.180 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.830 13.445 -1.199 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -3.008 13.160 -2.919 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.484 13.755 -1.318 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -4.393 15.080 -1.676 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.555 13.155 -3.700 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -6.119 14.788 -3.411 1.00 1.00 H new ATOM 0 HE ARG A 67 -3.995 14.097 -5.176 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.614 16.444 -2.583 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.408 17.588 -3.181 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.464 15.589 -5.881 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.208 17.112 -5.023 1.00 1.00 H new ATOM 924 N CYS A 68 -3.520 9.956 -3.116 1.00 1.00 N ATOM 925 CA CYS A 68 -2.821 9.030 -3.872 1.00 1.00 C ATOM 926 C CYS A 68 -3.333 9.295 -5.157 1.00 1.00 C ATOM 927 O CYS A 68 -2.693 9.984 -5.957 1.00 1.00 O ATOM 928 CB CYS A 68 -3.018 7.459 -3.421 1.00 1.00 C ATOM 929 SG CYS A 68 -4.551 7.047 -2.495 1.00 1.00 S ATOM 0 H CYS A 68 -4.514 9.970 -3.344 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.741 9.136 -3.771 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.988 6.842 -4.319 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.164 7.172 -2.808 1.00 1.00 H new ATOM 934 N SER A 69 -4.470 8.835 -5.393 1.00 1.00 N ATOM 935 CA SER A 69 -5.144 9.074 -6.632 1.00 1.00 C ATOM 936 C SER A 69 -4.700 8.169 -7.696 1.00 1.00 C ATOM 937 O SER A 69 -5.491 7.710 -8.522 1.00 1.00 O ATOM 938 CB SER A 69 -4.889 10.553 -7.123 1.00 1.00 C ATOM 939 OG SER A 69 -3.743 10.582 -7.978 1.00 1.00 O ATOM 0 H SER A 69 -4.998 8.263 -4.733 1.00 1.00 H new ATOM 0 HA SER A 69 -6.203 8.902 -6.439 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.763 10.926 -7.657 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.734 11.210 -6.267 1.00 1.00 H new ATOM 0 HG SER A 69 -2.936 10.723 -7.439 1.00 1.00 H new ATOM 945 N ASN A 70 -3.376 8.019 -7.776 1.00 1.00 N ATOM 946 CA ASN A 70 -2.738 7.267 -8.896 1.00 1.00 C ATOM 947 C ASN A 70 -2.102 6.107 -8.469 1.00 1.00 C ATOM 948 O ASN A 70 -2.174 5.067 -9.117 1.00 1.00 O ATOM 949 CB ASN A 70 -1.662 8.170 -9.535 1.00 1.00 C ATOM 950 CG ASN A 70 -2.278 9.500 -9.961 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.894 10.556 -9.451 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.212 9.512 -10.875 1.00 1.00 N ATOM 0 H ASN A 70 -2.718 8.398 -7.095 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.528 6.991 -9.595 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.855 8.346 -8.824 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.223 7.670 -10.399 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -3.626 10.396 -11.169 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.527 8.637 -11.294 1.00 1.00 H new ATOM 959 N SER A 71 -1.422 6.245 -7.390 1.00 1.00 N ATOM 960 CA SER A 71 -0.705 5.198 -6.818 1.00 1.00 C ATOM 961 C SER A 71 0.389 5.755 -5.953 1.00 1.00 C ATOM 962 O SER A 71 1.398 6.150 -6.474 1.00 1.00 O ATOM 963 CB SER A 71 -0.077 4.301 -7.848 1.00 1.00 C ATOM 964 OG SER A 71 1.169 3.782 -7.335 1.00 1.00 O ATOM 0 H SER A 71 -1.356 7.123 -6.875 1.00 1.00 H new ATOM 0 HA SER A 71 -1.412 4.608 -6.235 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.752 3.481 -8.093 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.099 4.855 -8.770 1.00 1.00 H new ATOM 0 HG SER A 71 1.802 4.519 -7.207 1.00 1.00 H new ATOM 970 N LYS A 72 0.172 5.720 -4.577 1.00 1.00 N ATOM 971 CA LYS A 72 1.217 6.207 -3.574 1.00 1.00 C ATOM 972 C LYS A 72 0.736 6.676 -2.282 1.00 1.00 C ATOM 973 O LYS A 72 1.277 7.628 -1.744 1.00 1.00 O ATOM 974 CB LYS A 72 1.932 7.457 -4.235 1.00 1.00 C ATOM 975 CG LYS A 72 0.921 8.534 -4.540 1.00 1.00 C ATOM 976 CD LYS A 72 1.633 9.753 -5.148 1.00 1.00 C ATOM 977 CE LYS A 72 0.594 10.699 -5.792 1.00 1.00 C ATOM 978 NZ LYS A 72 1.278 11.947 -6.241 1.00 1.00 N ATOM 0 H LYS A 72 -0.686 5.372 -4.149 1.00 1.00 H new ATOM 0 HA LYS A 72 1.837 5.334 -3.369 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.697 7.846 -3.562 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.438 7.153 -5.151 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.170 8.156 -5.233 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.397 8.823 -3.629 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.191 10.282 -4.376 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.355 9.428 -5.897 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.114 10.209 -6.639 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.191 10.938 -5.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.583 12.587 -6.675 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 1.717 12.416 -5.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.012 11.709 -6.938 1.00 1.00 H new ATOM 992 N GLN A 73 -0.243 6.150 -1.842 1.00 1.00 N ATOM 993 CA GLN A 73 -0.843 6.614 -0.667 1.00 1.00 C ATOM 994 C GLN A 73 -2.215 6.083 -0.593 1.00 1.00 C ATOM 995 O GLN A 73 -3.023 6.774 -0.325 1.00 1.00 O ATOM 996 CB GLN A 73 -0.999 8.323 -0.745 1.00 1.00 C ATOM 997 CG GLN A 73 -0.172 9.017 0.340 1.00 1.00 C ATOM 998 CD GLN A 73 -0.614 8.520 1.716 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.589 7.782 1.821 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.050 8.877 2.777 1.00 1.00 N ATOM 0 H GLN A 73 -0.706 5.348 -2.270 1.00 1.00 H new ATOM 0 HA GLN A 73 -0.238 6.305 0.185 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.679 8.673 -1.726 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -2.048 8.598 -0.635 1.00 1.00 H new ATOM 0 HG2 GLN A 73 0.888 8.812 0.191 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -0.300 10.097 0.274 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.860 9.490 2.689 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.240 8.543 3.696 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.449 4.847 -0.731 1.00 1.00 N ATOM 1010 CA CYS A 74 -4.054 4.347 -0.505 1.00 1.00 C ATOM 1011 C CYS A 74 -4.045 3.450 0.620 1.00 1.00 C ATOM 1012 O CYS A 74 -3.334 3.753 1.519 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.607 3.764 -1.816 1.00 1.00 C ATOM 1014 SG CYS A 74 -5.095 5.132 -3.111 1.00 1.00 S ATOM 0 H CYS A 74 -1.770 4.123 -0.964 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.737 5.163 -0.270 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.860 3.104 -2.257 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.482 3.153 -1.595 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.834 2.234 0.673 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.738 1.378 1.971 1.00 1.00 C ATOM 1021 C ASP A 75 -4.160 -0.001 1.689 1.00 1.00 C ATOM 1022 O ASP A 75 -2.963 -0.226 1.835 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.207 1.426 2.608 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.420 0.462 3.703 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.026 0.746 4.809 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -7.013 -0.496 3.453 1.00 1.00 O ATOM 0 H ASP A 75 -5.449 1.882 -0.060 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.030 1.764 2.705 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.396 2.432 2.982 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.938 1.235 1.823 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.952 -0.840 1.289 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.559 -2.180 0.946 1.00 1.00 C ATOM 1033 C GLY A 76 -5.416 -2.631 -0.117 1.00 1.00 C ATOM 1034 O GLY A 76 -5.595 -1.944 -0.989 1.00 1.00 O ATOM 0 H GLY A 76 -5.948 -0.658 1.167 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.516 -2.203 0.631 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.646 -2.837 1.811 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.956 -3.863 0.014 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.868 -4.498 -0.967 1.00 1.00 C ATOM 1040 C ALA A 77 -7.281 -3.590 -2.136 1.00 1.00 C ATOM 1041 O ALA A 77 -8.432 -3.639 -2.564 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.076 -4.841 -0.236 1.00 1.00 C ATOM 0 H ALA A 77 -5.767 -4.457 0.821 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.343 -5.347 -1.405 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.788 -5.315 -0.912 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.829 -5.530 0.572 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.518 -3.936 0.181 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.385 -2.705 -2.600 1.00 1.00 N ATOM 1049 CA ARG A 78 -6.693 -1.787 -3.587 1.00 1.00 C ATOM 1050 C ARG A 78 -5.568 -1.737 -4.637 1.00 1.00 C ATOM 1051 O ARG A 78 -4.439 -1.967 -4.328 1.00 1.00 O ATOM 1052 CB ARG A 78 -6.806 -0.500 -2.965 1.00 1.00 C ATOM 1053 CG ARG A 78 -7.955 -0.531 -1.883 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.342 0.869 -1.594 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.005 1.471 -2.776 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.172 2.155 -2.680 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -10.782 2.285 -1.522 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -10.702 2.687 -3.756 1.00 1.00 N ATOM 0 H ARG A 78 -5.424 -2.646 -2.263 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.622 -2.070 -4.082 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -5.860 -0.227 -2.497 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.021 0.260 -3.716 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.811 -1.096 -2.251 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.612 -1.028 -0.975 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -9.014 0.899 -0.736 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.459 1.450 -1.327 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.569 1.367 -3.692 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.378 1.869 -0.683 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -11.659 2.802 -1.463 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.236 2.585 -4.658 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.580 3.203 -3.691 1.00 1.00 H new ATOM 1072 N THR A 79 -5.885 -1.389 -5.825 1.00 1.00 N ATOM 1073 CA THR A 79 -4.868 -1.278 -6.890 1.00 1.00 C ATOM 1074 C THR A 79 -5.040 -0.025 -7.595 1.00 1.00 C ATOM 1075 O THR A 79 -5.825 0.016 -8.401 1.00 1.00 O ATOM 1076 CB THR A 79 -5.036 -2.360 -7.814 1.00 1.00 C ATOM 1077 OG1 THR A 79 -4.709 -3.591 -7.179 1.00 1.00 O ATOM 1078 CG2 THR A 79 -4.119 -2.115 -8.976 1.00 1.00 C ATOM 0 H THR A 79 -6.835 -1.168 -6.122 1.00 1.00 H new ATOM 0 HA THR A 79 -3.872 -1.316 -6.448 1.00 1.00 H new ATOM 0 HB THR A 79 -6.070 -2.418 -8.156 1.00 1.00 H new ATOM 0 HG1 THR A 79 -4.827 -4.328 -7.814 1.00 1.00 H new ATOM 0 HG21 THR A 79 -4.224 -2.924 -9.699 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.378 -1.168 -9.450 1.00 1.00 H new ATOM 0 HG23 THR A 79 -3.088 -2.075 -8.624 1.00 1.00 H new ATOM 1086 N CYS A 80 -4.340 1.138 -7.201 1.00 1.00 N ATOM 1087 CA CYS A 80 -4.709 2.368 -7.885 1.00 1.00 C ATOM 1088 C CYS A 80 -4.774 2.233 -9.330 1.00 1.00 C ATOM 1089 O CYS A 80 -4.040 2.865 -10.088 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.949 3.789 -7.539 1.00 1.00 C ATOM 1091 SG CYS A 80 -4.467 4.650 -6.009 1.00 1.00 S ATOM 0 H CYS A 80 -3.609 1.202 -6.492 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.690 2.480 -7.424 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.878 3.595 -7.474 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -4.099 4.468 -8.378 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.025 0.812 -5.035 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.385 1.759 -4.162 1.00 1.00 C ATOM 1138 C PHE A 85 -4.905 1.931 -4.291 1.00 1.00 C ATOM 1139 O PHE A 85 -5.567 1.703 -3.390 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.491 3.000 -4.350 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.086 2.788 -3.623 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.014 2.405 -2.253 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.110 2.970 -4.341 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.233 2.218 -1.643 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.352 2.779 -3.713 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.411 2.406 -2.372 1.00 1.00 C ATOM 0 HA PHE A 85 -3.214 1.504 -3.116 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.334 3.185 -5.413 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.989 3.880 -3.943 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.921 2.259 -1.685 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.073 3.258 -5.381 1.00 1.00 H new ATOM 0 HE1 PHE A 85 0.285 1.927 -0.604 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.265 2.922 -4.272 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.369 2.262 -1.895 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.395 2.451 -5.384 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.973 2.716 -5.519 1.00 1.00 C ATOM 1158 C CYS A 86 -7.715 2.233 -6.697 1.00 1.00 C ATOM 1159 O CYS A 86 -7.660 2.781 -7.798 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.360 4.180 -5.328 1.00 1.00 C ATOM 1161 SG CYS A 86 -6.326 5.240 -6.375 1.00 1.00 S ATOM 0 H CYS A 86 -4.841 2.717 -6.198 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.286 2.069 -4.700 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.411 4.322 -5.579 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -7.241 4.462 -4.282 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.501 1.196 -6.391 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.315 0.588 -7.262 1.00 1.00 C ATOM 1168 C GLN A 87 -10.140 -0.472 -6.491 1.00 1.00 C ATOM 1169 O GLN A 87 -11.372 -0.440 -6.487 1.00 1.00 O ATOM 1170 CB GLN A 87 -8.470 0.015 -8.319 1.00 1.00 C ATOM 1171 CG GLN A 87 -9.231 -0.988 -9.152 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.335 -2.349 -8.423 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.317 -2.978 -8.133 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.506 -2.826 -8.117 1.00 1.00 N ATOM 0 H GLN A 87 -8.536 0.789 -5.456 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.027 1.267 -7.732 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -8.096 0.813 -8.960 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -7.601 -0.467 -7.871 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -10.230 -0.607 -9.363 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -8.732 -1.123 -10.112 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.348 -2.304 -8.358 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.582 -3.722 -7.636 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.442 -1.395 -5.868 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.095 -2.507 -5.088 1.00 1.00 C ATOM 1185 C GLY A 88 -11.075 -2.039 -3.932 1.00 1.00 C ATOM 1186 O GLY A 88 -12.089 -1.385 -4.187 1.00 1.00 O ATOM 0 H GLY A 88 -8.423 -1.427 -5.866 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.652 -3.136 -5.782 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.314 -3.129 -4.650 1.00 1.00 H new ATOM 1190 N THR A 89 -10.777 -2.520 -2.660 1.00 1.00 N ATOM 1191 CA THR A 89 -11.683 -2.278 -1.475 1.00 1.00 C ATOM 1192 C THR A 89 -11.037 -1.836 -0.165 1.00 1.00 C ATOM 1193 O THR A 89 -11.411 -0.807 0.365 1.00 1.00 O ATOM 1194 CB THR A 89 -12.493 -3.643 -1.261 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.857 -3.332 -0.990 1.00 1.00 O ATOM 1196 CG2 THR A 89 -11.940 -4.544 -0.088 1.00 1.00 C ATOM 0 H THR A 89 -9.940 -3.061 -2.442 1.00 1.00 H new ATOM 0 HA THR A 89 -12.301 -1.415 -1.723 1.00 1.00 H new ATOM 0 HB THR A 89 -12.377 -4.218 -2.180 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.362 -4.162 -0.859 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.543 -5.449 -0.009 1.00 1.00 H new ATOM 0 HG22 THR A 89 -10.905 -4.815 -0.294 1.00 1.00 H new ATOM 0 HG23 THR A 89 -11.990 -3.991 0.850 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.195 -2.663 0.367 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.574 -2.466 1.711 1.00 1.00 C ATOM 1206 C ALA A 90 -10.282 -3.371 2.702 1.00 1.00 C ATOM 1207 O ALA A 90 -11.452 -3.183 3.033 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.669 -1.093 2.243 1.00 1.00 C ATOM 0 H ALA A 90 -9.891 -3.519 -0.098 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.515 -2.692 1.584 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -9.191 -1.048 3.222 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -9.169 -0.404 1.563 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.718 -0.811 2.338 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.557 -4.250 3.187 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.093 -5.252 4.326 1.00 1.00 C ATOM 1216 C GLY A 91 -8.927 -5.913 5.403 1.00 1.00 C ATOM 1217 O GLY A 91 -9.306 -6.414 6.457 1.00 1.00 O ATOM 0 H GLY A 91 -8.587 -4.405 2.911 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.838 -4.722 4.919 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.606 -6.079 3.835 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.581 -5.791 5.109 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.435 -6.284 6.108 1.00 1.00 C ATOM 1223 C HIS A 92 -6.487 -7.727 6.563 1.00 1.00 C ATOM 1224 O HIS A 92 -7.524 -8.143 7.089 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.560 -5.426 7.493 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.409 -6.142 8.574 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.759 -5.876 8.747 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.090 -7.092 9.511 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.197 -6.653 9.758 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.218 -7.414 10.258 1.00 1.00 N ATOM 0 H HIS A 92 -7.229 -5.382 4.243 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.520 -6.152 5.530 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.562 -5.238 7.889 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -7.005 -4.455 7.274 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.318 -5.214 8.208 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.110 -7.525 9.648 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.215 -6.660 10.120 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.447 -8.520 6.398 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.551 -10.000 6.913 1.00 1.00 C ATOM 1241 C ALA A 93 -4.799 -10.140 8.246 1.00 1.00 C ATOM 1242 O ALA A 93 -3.577 -10.209 8.276 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.944 -11.061 5.875 1.00 1.00 C ATOM 0 H ALA A 93 -4.564 -8.260 5.959 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.612 -10.216 7.036 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -5.043 -12.067 6.283 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.486 -10.998 4.931 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.890 -10.841 5.704 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.552 -10.181 9.346 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.948 -10.316 10.669 1.00 1.00 C ATOM 1251 C ALA A 94 -4.132 -11.608 10.748 1.00 1.00 C ATOM 1252 O ALA A 94 -4.593 -12.539 11.388 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.062 -10.336 11.766 1.00 1.00 C ATOM 0 H ALA A 94 -6.570 -10.123 9.347 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.288 -9.465 10.839 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.603 -10.437 12.749 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.630 -9.407 11.725 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.731 -11.178 11.590 1.00 1.00 H new