USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=22 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 79 THR OG1 : rot 180:sc= -0.726 USER MOD Set 1.2: A 87 GLN : amide:sc= -10.9! C(o=-12!,f=-26!) USER MOD Set 2.1: A 66 ASN :FLIP amide:sc= -6.15! C(o=-10!,f=-9!) USER MOD Set 2.2: A 73 GLN : amide:sc= -2.83 K(o=-9,f=-13!) USER MOD Set 3.1: A 69 SER OG : rot -75:sc= -0.845 USER MOD Set 3.2: A 70 ASN : amide:sc= -1.84 K(o=-2.7,f=-3.3) USER MOD Set 4.1: A 31 THR OG1 : rot 154:sc= -6.87! USER MOD Set 4.2: A 39 GLN : amide:sc= -4.85! C(o=-12!,f=-14!) USER MOD Set 5.1: A 1 GLY N :NH3+ -149:sc= -19.3! (180deg=-12.8!) USER MOD Set 5.2: A 22 ASN :FLIP amide:sc= -5.69! C(o=-57!,f=-49!) USER MOD Set 5.3: A 23 ASN : amide:sc= -24.4! C(o=-49!,f=-61!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 33:sc= 0.94 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.26) USER MOD Single : A 12 ASN : amide:sc= -2.21! C(o=-2.2!,f=-6.3!) USER MOD Single : A 13 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.3) USER MOD Single : A 18 ASN : amide:sc= -8.77! C(o=-8.8!,f=-15!) USER MOD Single : A 21 SER OG : rot 40:sc= 0.893 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.69) USER MOD Single : A 33 SER OG : rot -1:sc= 0.763! USER MOD Single : A 34 SER OG : rot -34:sc= 0.465 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 -161:sc= -2.66! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= -0.851 (180deg=-1.94!) USER MOD Single : A 53 THR OG1 : rot -160:sc= -5.97! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0796) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -6.09! C(o=-6.1!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.180 -5.589 4.008 1.00 1.00 N ATOM 2 CA GLY A 1 6.630 -6.603 3.422 1.00 1.00 C ATOM 3 C GLY A 1 6.323 -7.675 4.471 1.00 1.00 C ATOM 4 O GLY A 1 7.263 -8.173 5.097 1.00 1.00 O ATOM 0 H1 GLY A 1 6.928 -4.716 3.502 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.842 -5.530 4.990 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.214 -5.705 4.005 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.714 -6.296 2.918 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.296 -7.003 2.657 1.00 1.00 H new ATOM 10 N SER A 2 5.014 -8.202 4.569 1.00 1.00 N ATOM 11 CA SER A 2 4.784 -9.352 5.419 1.00 1.00 C ATOM 12 C SER A 2 3.717 -10.101 4.799 1.00 1.00 C ATOM 13 O SER A 2 3.941 -11.190 4.252 1.00 1.00 O ATOM 14 CB SER A 2 4.495 -8.974 6.828 1.00 1.00 C ATOM 15 OG SER A 2 4.808 -10.055 7.703 1.00 1.00 O ATOM 0 H SER A 2 4.193 -7.839 4.084 1.00 1.00 H new ATOM 0 HA SER A 2 5.682 -9.965 5.499 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.077 -8.094 7.103 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.444 -8.706 6.932 1.00 1.00 H new ATOM 0 HG SER A 2 4.615 -9.794 8.628 1.00 1.00 H new ATOM 21 N GLY A 3 2.583 -9.626 4.893 1.00 1.00 N ATOM 22 CA GLY A 3 1.479 -10.298 4.339 1.00 1.00 C ATOM 23 C GLY A 3 0.397 -9.353 4.020 1.00 1.00 C ATOM 24 O GLY A 3 0.493 -8.172 4.318 1.00 1.00 O ATOM 0 H GLY A 3 2.361 -8.746 5.359 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.785 -10.826 3.436 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.116 -11.050 5.040 1.00 1.00 H new ATOM 28 N PRO A 4 -0.665 -9.839 3.426 1.00 1.00 N ATOM 29 CA PRO A 4 -1.824 -8.988 3.078 1.00 1.00 C ATOM 30 C PRO A 4 -2.264 -8.398 4.218 1.00 1.00 C ATOM 31 O PRO A 4 -3.148 -8.924 4.864 1.00 1.00 O ATOM 32 CB PRO A 4 -2.883 -9.955 2.512 1.00 1.00 C ATOM 33 CG PRO A 4 -2.358 -11.351 2.843 1.00 1.00 C ATOM 34 CD PRO A 4 -0.842 -11.209 3.045 1.00 1.00 C ATOM 0 HA PRO A 4 -1.592 -8.205 2.356 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.859 -9.782 2.966 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -3.004 -9.823 1.437 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.834 -11.742 3.742 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.578 -12.050 2.036 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.478 -11.887 3.817 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.295 -11.442 2.132 1.00 1.00 H new ATOM 42 N THR A 5 -1.734 -7.338 4.548 1.00 1.00 N ATOM 43 CA THR A 5 -2.084 -6.691 5.713 1.00 1.00 C ATOM 44 C THR A 5 -0.986 -5.889 6.218 1.00 1.00 C ATOM 45 O THR A 5 -1.226 -5.119 7.013 1.00 1.00 O ATOM 46 CB THR A 5 -2.437 -7.658 6.917 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.178 -6.987 8.154 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.594 -9.005 6.898 1.00 1.00 C ATOM 0 H THR A 5 -1.013 -6.866 4.002 1.00 1.00 H new ATOM 0 HA THR A 5 -2.957 -6.107 5.422 1.00 1.00 H new ATOM 0 HB THR A 5 -3.490 -7.919 6.813 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.358 -6.029 8.051 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.881 -9.626 7.747 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.791 -9.544 5.971 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.532 -8.770 6.962 1.00 1.00 H new ATOM 56 N TYR A 6 0.443 -6.263 5.910 1.00 1.00 N ATOM 57 CA TYR A 6 1.485 -5.552 6.645 1.00 1.00 C ATOM 58 C TYR A 6 1.236 -4.360 6.869 1.00 1.00 C ATOM 59 O TYR A 6 1.719 -3.773 7.868 1.00 1.00 O ATOM 60 CB TYR A 6 2.887 -5.626 6.191 1.00 1.00 C ATOM 61 CG TYR A 6 3.814 -5.227 7.619 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.083 -6.226 8.587 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.281 -3.897 7.892 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.801 -5.921 9.752 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.996 -3.624 9.069 1.00 1.00 C ATOM 66 CZ TYR A 6 5.256 -4.634 9.984 1.00 1.00 C ATOM 67 OH TYR A 6 5.966 -4.356 11.134 1.00 1.00 O ATOM 0 H TYR A 6 0.754 -6.965 5.238 1.00 1.00 H new ATOM 0 HA TYR A 6 1.434 -6.161 7.547 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.134 -6.620 5.819 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.082 -4.925 5.380 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.731 -7.234 8.426 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.081 -3.102 7.188 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.001 -6.697 10.475 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.346 -2.621 9.263 1.00 1.00 H new ATOM 0 HH TYR A 6 6.213 -3.408 11.145 1.00 1.00 H new ATOM 77 N CYS A 7 0.447 -3.820 6.050 1.00 1.00 N ATOM 78 CA CYS A 7 0.105 -2.594 6.239 1.00 1.00 C ATOM 79 C CYS A 7 1.171 -1.669 6.439 1.00 1.00 C ATOM 80 O CYS A 7 1.161 -0.897 7.415 1.00 1.00 O ATOM 81 CB CYS A 7 -0.774 -2.557 7.413 1.00 1.00 C ATOM 82 SG CYS A 7 -1.509 -0.854 7.629 1.00 1.00 S ATOM 0 H CYS A 7 0.043 -4.273 5.230 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.377 -2.270 5.316 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.571 -3.292 7.301 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.211 -2.832 8.305 1.00 1.00 H new ATOM 87 N TRP A 8 2.049 -1.654 5.527 1.00 1.00 N ATOM 88 CA TRP A 8 3.097 -0.651 5.603 1.00 1.00 C ATOM 89 C TRP A 8 2.346 0.621 5.970 1.00 1.00 C ATOM 90 O TRP A 8 1.596 1.077 5.148 1.00 1.00 O ATOM 91 CB TRP A 8 3.728 -0.427 4.315 1.00 1.00 C ATOM 92 CG TRP A 8 4.979 0.573 4.533 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.253 1.768 3.833 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.087 0.480 5.570 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.435 2.306 4.305 1.00 1.00 N ATOM 96 CE2 TRP A 8 6.969 1.570 5.387 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.419 -0.462 6.636 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.100 1.736 6.202 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.549 -0.261 7.430 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.378 0.825 7.218 1.00 1.00 C ATOM 0 H TRP A 8 2.092 -2.289 4.730 1.00 1.00 H new ATOM 0 HA TRP A 8 3.878 -0.951 6.302 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.066 -1.371 3.888 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.015 0.004 3.612 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.638 2.193 3.054 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.873 3.141 3.916 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.786 -1.319 6.811 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.759 2.576 6.040 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.779 -0.962 8.219 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.246 0.968 7.844 1.00 1.00 H new ATOM 111 N ASN A 9 2.402 1.130 7.214 1.00 1.00 N ATOM 112 CA ASN A 9 1.552 2.243 7.582 1.00 1.00 C ATOM 113 C ASN A 9 1.221 3.158 6.504 1.00 1.00 C ATOM 114 O ASN A 9 0.081 3.609 6.384 1.00 1.00 O ATOM 115 CB ASN A 9 2.164 3.001 8.747 1.00 1.00 C ATOM 116 CG ASN A 9 2.475 2.042 9.886 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.603 1.295 10.327 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.678 2.014 10.394 1.00 1.00 N ATOM 0 H ASN A 9 3.015 0.789 7.955 1.00 1.00 H new ATOM 0 HA ASN A 9 0.601 1.793 7.868 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.076 3.504 8.425 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.477 3.775 9.089 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.895 1.372 11.157 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.401 2.634 10.028 1.00 1.00 H new ATOM 125 N GLU A 10 2.126 3.450 5.775 1.00 1.00 N ATOM 126 CA GLU A 10 1.942 4.355 4.699 1.00 1.00 C ATOM 127 C GLU A 10 1.213 5.635 5.139 1.00 1.00 C ATOM 128 O GLU A 10 0.250 6.084 4.504 1.00 1.00 O ATOM 129 CB GLU A 10 1.201 3.758 3.486 1.00 1.00 C ATOM 130 CG GLU A 10 2.071 2.886 2.760 1.00 1.00 C ATOM 131 CD GLU A 10 1.303 2.202 1.635 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.600 2.899 0.923 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.428 0.997 1.504 1.00 1.00 O ATOM 0 H GLU A 10 3.074 3.084 5.864 1.00 1.00 H new ATOM 0 HA GLU A 10 2.957 4.592 4.381 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.321 3.210 3.821 1.00 1.00 H new ATOM 0 HB3 GLU A 10 0.849 4.558 2.835 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.907 3.452 2.349 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.492 2.138 3.431 1.00 1.00 H new ATOM 140 N ALA A 11 1.767 6.261 6.144 1.00 1.00 N ATOM 141 CA ALA A 11 1.331 7.454 6.554 1.00 1.00 C ATOM 142 C ALA A 11 2.378 7.985 7.434 1.00 1.00 C ATOM 143 O ALA A 11 2.608 7.462 8.526 1.00 1.00 O ATOM 144 CB ALA A 11 0.031 7.393 7.201 1.00 1.00 C ATOM 0 H ALA A 11 2.555 5.895 6.678 1.00 1.00 H new ATOM 0 HA ALA A 11 1.163 8.115 5.704 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.268 8.394 7.511 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.705 6.995 6.502 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.090 6.744 8.075 1.00 1.00 H new ATOM 150 N ASN A 12 2.944 9.001 7.010 1.00 1.00 N ATOM 151 CA ASN A 12 4.021 9.749 7.762 1.00 1.00 C ATOM 152 C ASN A 12 5.013 10.593 6.725 1.00 1.00 C ATOM 153 O ASN A 12 6.210 10.712 6.956 1.00 1.00 O ATOM 154 CB ASN A 12 4.830 8.743 8.655 1.00 1.00 C ATOM 155 CG ASN A 12 6.257 9.224 8.932 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.218 8.554 8.562 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.450 10.352 9.565 1.00 1.00 N ATOM 0 H ASN A 12 2.722 9.417 6.106 1.00 1.00 H new ATOM 0 HA ASN A 12 3.552 10.489 8.411 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.308 8.600 9.601 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.866 7.772 8.161 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.399 10.676 9.752 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.652 10.908 9.872 1.00 1.00 H new ATOM 164 N ASN A 13 4.411 11.242 5.642 1.00 1.00 N ATOM 165 CA ASN A 13 5.182 12.100 4.720 1.00 1.00 C ATOM 166 C ASN A 13 4.297 12.576 3.495 1.00 1.00 C ATOM 167 O ASN A 13 3.240 12.010 3.229 1.00 1.00 O ATOM 168 CB ASN A 13 6.425 11.360 4.188 1.00 1.00 C ATOM 169 CG ASN A 13 7.720 12.198 4.385 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.307 12.675 3.412 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.186 12.398 5.594 1.00 1.00 N ATOM 0 H ASN A 13 3.419 11.170 5.417 1.00 1.00 H new ATOM 0 HA ASN A 13 5.497 12.975 5.288 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.528 10.405 4.702 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.292 11.139 3.129 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.034 12.948 5.729 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.700 12.003 6.400 1.00 1.00 H new ATOM 178 N PRO A 14 4.774 13.612 2.743 1.00 1.00 N ATOM 179 CA PRO A 14 4.090 14.152 1.517 1.00 1.00 C ATOM 180 C PRO A 14 4.554 13.463 0.188 1.00 1.00 C ATOM 181 O PRO A 14 3.722 13.164 -0.669 1.00 1.00 O ATOM 182 CB PRO A 14 4.450 15.653 1.520 1.00 1.00 C ATOM 183 CG PRO A 14 5.454 15.797 2.644 1.00 1.00 C ATOM 184 CD PRO A 14 5.932 14.369 2.995 1.00 1.00 C ATOM 0 HA PRO A 14 3.017 13.963 1.551 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.876 15.961 0.565 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.570 16.272 1.692 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.293 16.422 2.337 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.999 16.277 3.510 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.771 14.054 2.374 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.256 14.289 4.033 1.00 1.00 H new ATOM 192 N GLY A 15 5.839 13.228 0.023 1.00 1.00 N ATOM 193 CA GLY A 15 6.385 12.542 -1.283 1.00 1.00 C ATOM 194 C GLY A 15 5.894 11.139 -1.339 1.00 1.00 C ATOM 195 O GLY A 15 6.390 10.305 -2.033 1.00 1.00 O ATOM 0 H GLY A 15 6.556 13.466 0.708 1.00 1.00 H new ATOM 0 HA2 GLY A 15 6.053 13.092 -2.163 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.475 12.559 -1.289 1.00 1.00 H new ATOM 199 N GLY A 16 4.913 10.976 -0.634 1.00 1.00 N ATOM 200 CA GLY A 16 4.232 9.764 -0.482 1.00 1.00 C ATOM 201 C GLY A 16 3.944 9.634 0.933 1.00 1.00 C ATOM 202 O GLY A 16 3.991 10.603 1.633 1.00 1.00 O ATOM 0 H GLY A 16 4.503 11.733 -0.086 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.313 9.758 -1.068 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.839 8.930 -0.833 1.00 1.00 H new ATOM 206 N PRO A 17 3.651 8.499 1.413 1.00 1.00 N ATOM 207 CA PRO A 17 3.347 8.323 2.857 1.00 1.00 C ATOM 208 C PRO A 17 4.530 8.475 3.552 1.00 1.00 C ATOM 209 O PRO A 17 5.372 9.190 3.087 1.00 1.00 O ATOM 210 CB PRO A 17 2.900 6.833 2.856 1.00 1.00 C ATOM 211 CG PRO A 17 2.532 6.571 1.501 1.00 1.00 C ATOM 212 CD PRO A 17 3.553 7.261 0.726 1.00 1.00 C ATOM 0 HA PRO A 17 2.621 9.007 3.297 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.707 6.176 3.182 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.062 6.670 3.534 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.522 5.502 1.288 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.535 6.950 1.277 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.499 6.720 0.722 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.257 7.393 -0.315 1.00 1.00 H new ATOM 220 N ASN A 18 4.722 7.680 4.776 1.00 1.00 N ATOM 221 CA ASN A 18 6.034 7.701 5.483 1.00 1.00 C ATOM 222 C ASN A 18 7.079 7.749 4.415 1.00 1.00 C ATOM 223 O ASN A 18 8.278 7.899 4.673 1.00 1.00 O ATOM 224 CB ASN A 18 6.250 6.367 6.361 1.00 1.00 C ATOM 225 CG ASN A 18 4.966 5.550 6.422 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.028 5.907 7.130 1.00 1.00 O ATOM 227 ND2 ASN A 18 4.877 4.457 5.716 1.00 1.00 N ATOM 0 H ASN A 18 4.008 7.090 5.204 1.00 1.00 H new ATOM 0 HA ASN A 18 6.084 8.553 6.161 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.049 5.766 5.928 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.564 6.636 7.369 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.026 3.895 5.751 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.658 4.164 5.129 1.00 1.00 H new ATOM 234 N ARG A 19 6.547 7.565 3.167 1.00 1.00 N ATOM 235 CA ARG A 19 7.203 7.534 2.048 1.00 1.00 C ATOM 236 C ARG A 19 7.588 6.289 1.948 1.00 1.00 C ATOM 237 O ARG A 19 8.584 5.927 2.500 1.00 1.00 O ATOM 238 CB ARG A 19 8.341 8.666 1.987 1.00 1.00 C ATOM 239 CG ARG A 19 7.979 9.683 0.865 1.00 1.00 C ATOM 240 CD ARG A 19 8.603 9.207 -0.542 1.00 1.00 C ATOM 241 NE ARG A 19 9.648 10.173 -0.977 1.00 1.00 N ATOM 242 CZ ARG A 19 9.655 10.725 -2.216 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.719 10.427 -3.082 1.00 1.00 N ATOM 244 NH2 ARG A 19 10.606 11.563 -2.546 1.00 1.00 N ATOM 0 H ARG A 19 5.545 7.433 3.029 1.00 1.00 H new ATOM 0 HA ARG A 19 6.617 7.798 1.167 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.418 9.176 2.947 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.312 8.214 1.787 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.896 9.771 0.779 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.359 10.671 1.124 1.00 1.00 H new ATOM 0 HD2 ARG A 19 9.034 8.211 -0.442 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.818 9.141 -1.296 1.00 1.00 H new ATOM 0 HE ARG A 19 10.385 10.429 -0.320 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.977 9.775 -2.827 1.00 1.00 H new ATOM 0 HH12 ARG A 19 8.732 10.847 -4.012 1.00 1.00 H new ATOM 0 HH21 ARG A 19 11.336 11.797 -1.873 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.617 11.981 -3.476 1.00 1.00 H new ATOM 258 N CYS A 20 6.588 5.394 1.120 1.00 1.00 N ATOM 259 CA CYS A 20 6.785 3.944 0.906 1.00 1.00 C ATOM 260 C CYS A 20 8.247 3.868 1.371 1.00 1.00 C ATOM 261 O CYS A 20 9.106 4.595 0.814 1.00 1.00 O ATOM 262 CB CYS A 20 6.466 3.578 -0.661 1.00 1.00 C ATOM 263 SG CYS A 20 6.553 1.695 -1.172 1.00 1.00 S ATOM 0 H CYS A 20 5.744 5.761 0.681 1.00 1.00 H new ATOM 0 HA CYS A 20 6.150 3.224 1.422 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.468 3.947 -0.898 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.167 4.131 -1.287 1.00 1.00 H new ATOM 268 N SER A 21 8.520 3.166 2.371 1.00 1.00 N ATOM 269 CA SER A 21 9.927 3.216 2.970 1.00 1.00 C ATOM 270 C SER A 21 10.554 1.851 3.413 1.00 1.00 C ATOM 271 O SER A 21 11.586 1.840 4.083 1.00 1.00 O ATOM 272 CB SER A 21 9.802 4.165 4.193 1.00 1.00 C ATOM 273 OG SER A 21 10.615 3.692 5.264 1.00 1.00 O ATOM 0 H SER A 21 7.867 2.540 2.842 1.00 1.00 H new ATOM 0 HA SER A 21 10.614 3.552 2.193 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.106 5.174 3.913 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.762 4.223 4.514 1.00 1.00 H new ATOM 0 HG SER A 21 11.468 3.365 4.908 1.00 1.00 H new ATOM 279 N ASN A 22 9.956 0.748 3.046 1.00 1.00 N ATOM 280 CA ASN A 22 10.498 -0.547 3.425 1.00 1.00 C ATOM 281 C ASN A 22 10.039 -1.569 2.501 1.00 1.00 C ATOM 282 O ASN A 22 9.048 -1.414 1.858 1.00 1.00 O ATOM 283 CB ASN A 22 10.015 -0.882 4.832 1.00 1.00 C ATOM 284 CG ASN A 22 11.038 -1.629 5.631 1.00 1.00 C ATOM 285 OD1 ASN A 22 10.635 -2.456 6.545 1.00 1.00 O flip ATOM 286 ND2 ASN A 22 12.242 -1.457 5.430 1.00 1.00 N flip ATOM 0 H ASN A 22 9.101 0.711 2.490 1.00 1.00 H new ATOM 0 HA ASN A 22 11.587 -0.511 3.397 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.756 0.040 5.352 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.105 -1.478 4.767 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.551 -0.805 4.709 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.930 -1.967 5.985 1.00 1.00 H new ATOM 293 N ASN A 23 10.746 -2.707 2.479 1.00 1.00 N ATOM 294 CA ASN A 23 10.316 -3.755 1.670 1.00 1.00 C ATOM 295 C ASN A 23 9.973 -3.258 0.248 1.00 1.00 C ATOM 296 O ASN A 23 8.865 -3.386 -0.183 1.00 1.00 O ATOM 297 CB ASN A 23 9.051 -4.378 2.396 1.00 1.00 C ATOM 298 CG ASN A 23 8.806 -3.754 3.716 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.718 -3.320 4.004 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.735 -3.694 4.534 1.00 1.00 N ATOM 0 H ASN A 23 11.595 -2.883 3.015 1.00 1.00 H new ATOM 0 HA ASN A 23 11.097 -4.504 1.540 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.171 -4.250 1.765 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.198 -5.450 2.524 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.580 -3.277 5.452 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.655 -4.061 4.289 1.00 1.00 H new ATOM 307 N LYS A 24 10.950 -2.561 -0.408 1.00 1.00 N ATOM 308 CA LYS A 24 10.730 -1.905 -1.716 1.00 1.00 C ATOM 309 C LYS A 24 9.963 -0.635 -1.483 1.00 1.00 C ATOM 310 O LYS A 24 9.393 -0.086 -2.399 1.00 1.00 O ATOM 311 CB LYS A 24 10.018 -2.732 -2.731 1.00 1.00 C ATOM 312 CG LYS A 24 10.719 -4.045 -2.995 1.00 1.00 C ATOM 313 CD LYS A 24 9.725 -5.021 -3.824 1.00 1.00 C ATOM 314 CE LYS A 24 10.314 -5.384 -5.224 1.00 1.00 C ATOM 315 NZ LYS A 24 10.009 -4.289 -6.189 1.00 1.00 N ATOM 0 H LYS A 24 11.895 -2.445 -0.043 1.00 1.00 H new ATOM 0 HA LYS A 24 11.719 -1.725 -2.138 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.002 -2.928 -2.389 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.939 -2.171 -3.662 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.636 -3.875 -3.560 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.007 -4.513 -2.054 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.551 -5.934 -3.254 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.758 -4.534 -3.950 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.392 -5.529 -5.151 1.00 1.00 H new ATOM 0 HE3 LYS A 24 9.889 -6.324 -5.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.401 -4.529 -7.122 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 8.979 -4.171 -6.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.435 -3.402 -5.853 1.00 1.00 H new ATOM 329 N GLN A 25 9.985 -0.204 -0.177 1.00 1.00 N ATOM 330 CA GLN A 25 9.353 0.966 0.300 1.00 1.00 C ATOM 331 C GLN A 25 7.995 0.712 0.780 1.00 1.00 C ATOM 332 O GLN A 25 7.455 1.521 1.382 1.00 1.00 O ATOM 333 CB GLN A 25 9.412 2.115 -0.752 1.00 1.00 C ATOM 334 CG GLN A 25 10.788 2.761 -0.733 1.00 1.00 C ATOM 335 CD GLN A 25 11.754 2.022 -1.682 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.496 1.141 -1.248 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.785 2.335 -2.949 1.00 1.00 N ATOM 0 H GLN A 25 10.474 -0.716 0.557 1.00 1.00 H new ATOM 0 HA GLN A 25 9.917 1.303 1.170 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.199 1.722 -1.746 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.647 2.860 -0.533 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.708 3.807 -1.031 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.187 2.748 0.281 1.00 1.00 H new ATOM 0 HE21 GLN A 25 11.170 3.065 -3.309 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.424 1.850 -3.579 1.00 1.00 H new ATOM 346 N CYS A 26 7.413 -0.405 0.537 1.00 1.00 N ATOM 347 CA CYS A 26 5.992 -0.599 1.063 1.00 1.00 C ATOM 348 C CYS A 26 5.950 -1.589 2.339 1.00 1.00 C ATOM 349 O CYS A 26 6.774 -1.450 3.210 1.00 1.00 O ATOM 350 CB CYS A 26 5.079 -0.941 -0.185 1.00 1.00 C ATOM 351 SG CYS A 26 4.698 0.761 -1.028 1.00 1.00 S ATOM 0 H CYS A 26 7.813 -1.188 0.019 1.00 1.00 H new ATOM 0 HA CYS A 26 5.570 0.304 1.504 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.591 -1.614 -0.873 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.161 -1.440 0.125 1.00 1.00 H new ATOM 356 N ASP A 27 5.018 -2.533 2.344 1.00 1.00 N ATOM 357 CA ASP A 27 4.808 -3.515 3.320 1.00 1.00 C ATOM 358 C ASP A 27 3.528 -4.096 3.039 1.00 1.00 C ATOM 359 O ASP A 27 2.590 -3.417 2.624 1.00 1.00 O ATOM 360 CB ASP A 27 4.992 -3.071 4.774 1.00 1.00 C ATOM 361 CG ASP A 27 5.713 -4.150 5.595 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.348 -5.301 5.478 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.624 -3.797 6.325 1.00 1.00 O ATOM 0 H ASP A 27 4.345 -2.610 1.581 1.00 1.00 H new ATOM 0 HA ASP A 27 5.600 -4.260 3.248 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.564 -2.144 4.805 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.019 -2.860 5.219 1.00 1.00 H new ATOM 368 N GLY A 28 3.486 -5.396 3.157 1.00 1.00 N ATOM 369 CA GLY A 28 2.371 -6.151 2.823 1.00 1.00 C ATOM 370 C GLY A 28 2.797 -7.534 2.116 1.00 1.00 C ATOM 371 O GLY A 28 2.054 -8.082 1.416 1.00 1.00 O ATOM 0 H GLY A 28 4.269 -5.951 3.503 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.789 -6.362 3.720 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.728 -5.580 2.153 1.00 1.00 H new ATOM 375 N ALA A 29 4.028 -8.025 2.429 1.00 1.00 N ATOM 376 CA ALA A 29 4.588 -9.304 1.926 1.00 1.00 C ATOM 377 C ALA A 29 5.986 -9.156 1.466 1.00 1.00 C ATOM 378 O ALA A 29 6.706 -10.149 1.350 1.00 1.00 O ATOM 379 CB ALA A 29 3.684 -9.957 0.794 1.00 1.00 C ATOM 0 H ALA A 29 4.668 -7.531 3.050 1.00 1.00 H new ATOM 0 HA ALA A 29 4.589 -9.987 2.775 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.137 -10.890 0.460 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.690 -10.159 1.193 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.604 -9.270 -0.049 1.00 1.00 H new ATOM 385 N ARG A 30 6.373 -7.949 1.066 1.00 1.00 N ATOM 386 CA ARG A 30 7.725 -7.769 0.450 1.00 1.00 C ATOM 387 C ARG A 30 8.929 -8.569 1.286 1.00 1.00 C ATOM 388 O ARG A 30 8.711 -9.175 2.335 1.00 1.00 O ATOM 389 CB ARG A 30 8.040 -6.235 0.255 1.00 1.00 C ATOM 390 CG ARG A 30 7.528 -5.690 -1.024 1.00 1.00 C ATOM 391 CD ARG A 30 6.451 -4.467 -0.926 1.00 1.00 C ATOM 392 NE ARG A 30 6.995 -3.321 -1.643 1.00 1.00 N ATOM 393 CZ ARG A 30 6.551 -2.939 -2.871 1.00 1.00 C ATOM 394 NH1 ARG A 30 5.561 -3.538 -3.441 1.00 1.00 N ATOM 395 NH2 ARG A 30 7.136 -1.959 -3.480 1.00 1.00 N ATOM 0 H ARG A 30 5.812 -7.101 1.143 1.00 1.00 H new ATOM 0 HA ARG A 30 7.703 -8.235 -0.535 1.00 1.00 H new ATOM 0 HB2 ARG A 30 7.604 -5.674 1.082 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.119 -6.084 0.301 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.379 -5.346 -1.612 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.066 -6.506 -1.580 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.496 -4.766 -1.357 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.263 -4.209 0.116 1.00 1.00 H new ATOM 0 HE ARG A 30 7.742 -2.781 -1.205 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.095 -4.314 -2.971 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.244 -3.236 -4.362 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.922 -1.481 -3.039 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.811 -1.664 -4.401 1.00 1.00 H new ATOM 409 N THR A 31 10.115 -8.570 0.631 1.00 1.00 N ATOM 410 CA THR A 31 11.349 -9.266 1.013 1.00 1.00 C ATOM 411 C THR A 31 12.548 -8.484 0.746 1.00 1.00 C ATOM 412 O THR A 31 12.597 -7.966 -0.175 1.00 1.00 O ATOM 413 CB THR A 31 11.400 -10.438 -0.043 1.00 1.00 C ATOM 414 OG1 THR A 31 11.632 -9.988 -1.323 1.00 1.00 O ATOM 415 CG2 THR A 31 10.072 -11.166 -0.008 1.00 1.00 C ATOM 0 H THR A 31 10.234 -8.046 -0.236 1.00 1.00 H new ATOM 0 HA THR A 31 11.335 -9.522 2.072 1.00 1.00 H new ATOM 0 HB THR A 31 12.227 -11.096 0.223 1.00 1.00 H new ATOM 0 HG1 THR A 31 12.058 -10.698 -1.847 1.00 1.00 H new ATOM 0 HG21 THR A 31 10.085 -11.981 -0.731 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.904 -11.569 0.991 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.270 -10.472 -0.258 1.00 1.00 H new ATOM 423 N CYS A 32 13.507 -8.352 1.590 1.00 1.00 N ATOM 424 CA CYS A 32 14.729 -7.403 1.145 1.00 1.00 C ATOM 425 C CYS A 32 15.677 -8.102 0.263 1.00 1.00 C ATOM 426 O CYS A 32 15.451 -9.199 -0.203 1.00 1.00 O ATOM 427 CB CYS A 32 15.458 -6.587 2.398 1.00 1.00 C ATOM 428 SG CYS A 32 16.748 -5.440 1.837 1.00 1.00 S ATOM 0 H CYS A 32 13.572 -8.787 2.511 1.00 1.00 H new ATOM 0 HA CYS A 32 14.281 -6.608 0.549 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.701 -6.032 2.953 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.895 -7.308 3.089 1.00 1.00 H new ATOM 433 N SER A 33 16.716 -7.463 0.082 1.00 1.00 N ATOM 434 CA SER A 33 17.830 -8.033 -0.783 1.00 1.00 C ATOM 435 C SER A 33 18.595 -8.987 -0.002 1.00 1.00 C ATOM 436 O SER A 33 19.527 -9.644 -0.463 1.00 1.00 O ATOM 437 CB SER A 33 18.617 -7.026 -1.431 1.00 1.00 C ATOM 438 OG SER A 33 19.754 -7.627 -2.049 1.00 1.00 O ATOM 0 H SER A 33 16.906 -6.543 0.478 1.00 1.00 H new ATOM 0 HA SER A 33 17.389 -8.571 -1.622 1.00 1.00 H new ATOM 0 HB2 SER A 33 18.017 -6.507 -2.178 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.938 -6.279 -0.705 1.00 1.00 H new ATOM 0 HG SER A 33 19.746 -8.592 -1.880 1.00 1.00 H new ATOM 444 N SER A 34 18.120 -9.117 1.093 1.00 1.00 N ATOM 445 CA SER A 34 18.482 -9.996 2.077 1.00 1.00 C ATOM 446 C SER A 34 17.098 -10.745 2.523 1.00 1.00 C ATOM 447 O SER A 34 17.075 -11.432 3.542 1.00 1.00 O ATOM 448 CB SER A 34 19.065 -9.241 3.208 1.00 1.00 C ATOM 449 OG SER A 34 19.494 -10.147 4.219 1.00 1.00 O ATOM 0 H SER A 34 17.343 -8.528 1.393 1.00 1.00 H new ATOM 0 HA SER A 34 19.228 -10.719 1.746 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.907 -8.642 2.862 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.327 -8.549 3.615 1.00 1.00 H new ATOM 0 HG SER A 34 18.891 -10.919 4.244 1.00 1.00 H new ATOM 455 N SER A 35 15.912 -10.586 1.641 1.00 1.00 N ATOM 456 CA SER A 35 14.710 -11.174 1.865 1.00 1.00 C ATOM 457 C SER A 35 14.079 -10.611 2.994 1.00 1.00 C ATOM 458 O SER A 35 12.917 -10.886 3.289 1.00 1.00 O ATOM 459 CB SER A 35 14.846 -12.607 2.047 1.00 1.00 C ATOM 460 OG SER A 35 15.626 -13.150 0.992 1.00 1.00 O ATOM 0 H SER A 35 15.928 -10.014 0.796 1.00 1.00 H new ATOM 0 HA SER A 35 14.094 -10.994 0.984 1.00 1.00 H new ATOM 0 HB2 SER A 35 15.317 -12.819 3.007 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.862 -13.076 2.064 1.00 1.00 H new ATOM 0 HG SER A 35 15.718 -14.118 1.118 1.00 1.00 H new ATOM 466 N GLY A 36 14.843 -9.807 3.689 1.00 1.00 N ATOM 467 CA GLY A 36 14.366 -9.188 4.843 1.00 1.00 C ATOM 468 C GLY A 36 13.077 -8.609 4.534 1.00 1.00 C ATOM 469 O GLY A 36 12.046 -9.145 4.917 1.00 1.00 O ATOM 0 H GLY A 36 15.808 -9.580 3.450 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.276 -9.910 5.654 1.00 1.00 H new ATOM 0 HA3 GLY A 36 15.060 -8.417 5.178 1.00 1.00 H new ATOM 473 N PHE A 37 13.101 -7.538 3.824 1.00 1.00 N ATOM 474 CA PHE A 37 11.991 -6.915 3.463 1.00 1.00 C ATOM 475 C PHE A 37 12.378 -5.657 2.716 1.00 1.00 C ATOM 476 O PHE A 37 12.357 -4.609 3.291 1.00 1.00 O ATOM 477 CB PHE A 37 11.107 -6.556 4.746 1.00 1.00 C ATOM 478 CG PHE A 37 11.995 -6.040 5.934 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.351 -4.663 6.027 1.00 1.00 C ATOM 480 CD2 PHE A 37 12.445 -6.937 6.936 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.135 -4.216 7.085 1.00 1.00 C ATOM 482 CE2 PHE A 37 13.236 -6.465 7.997 1.00 1.00 C ATOM 483 CZ PHE A 37 13.580 -5.112 8.068 1.00 1.00 C ATOM 0 H PHE A 37 13.958 -7.096 3.492 1.00 1.00 H new ATOM 0 HA PHE A 37 11.393 -7.561 2.821 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.374 -5.794 4.482 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.550 -7.438 5.063 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.012 -3.966 5.275 1.00 1.00 H new ATOM 0 HD2 PHE A 37 12.180 -7.983 6.884 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.403 -3.172 7.150 1.00 1.00 H new ATOM 0 HE2 PHE A 37 13.579 -7.149 8.759 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.191 -4.755 8.884 1.00 1.00 H new ATOM 493 N CYS A 38 12.793 -5.729 1.303 1.00 1.00 N ATOM 494 CA CYS A 38 13.177 -4.525 0.501 1.00 1.00 C ATOM 495 C CYS A 38 13.246 -4.877 -0.908 1.00 1.00 C ATOM 496 O CYS A 38 13.856 -4.204 -1.734 1.00 1.00 O ATOM 497 CB CYS A 38 14.487 -3.850 0.980 1.00 1.00 C ATOM 498 SG CYS A 38 15.918 -4.634 0.267 1.00 1.00 S ATOM 0 H CYS A 38 12.845 -6.603 0.780 1.00 1.00 H new ATOM 0 HA CYS A 38 12.398 -3.777 0.653 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.475 -2.794 0.708 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.547 -3.899 2.067 1.00 1.00 H new ATOM 503 N GLN A 39 12.659 -5.954 -1.148 1.00 1.00 N ATOM 504 CA GLN A 39 12.588 -6.584 -2.403 1.00 1.00 C ATOM 505 C GLN A 39 11.434 -7.571 -2.382 1.00 1.00 C ATOM 506 O GLN A 39 11.069 -8.005 -1.402 1.00 1.00 O ATOM 507 CB GLN A 39 14.006 -7.269 -2.640 1.00 1.00 C ATOM 508 CG GLN A 39 14.011 -8.773 -2.453 1.00 1.00 C ATOM 509 CD GLN A 39 13.229 -9.466 -3.579 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.663 -10.541 -3.372 1.00 1.00 O ATOM 511 NE2 GLN A 39 13.175 -8.914 -4.764 1.00 1.00 N ATOM 0 H GLN A 39 12.169 -6.475 -0.421 1.00 1.00 H new ATOM 0 HA GLN A 39 12.391 -5.897 -3.226 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.343 -7.039 -3.651 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.729 -6.827 -1.955 1.00 1.00 H new ATOM 0 HG2 GLN A 39 15.038 -9.139 -2.439 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.569 -9.025 -1.489 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.644 -8.024 -4.934 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.664 -9.373 -5.518 1.00 1.00 H new ATOM 520 N GLY A 40 10.823 -7.834 -3.507 1.00 1.00 N ATOM 521 CA GLY A 40 9.657 -8.789 -3.515 1.00 1.00 C ATOM 522 C GLY A 40 8.278 -8.192 -3.887 1.00 1.00 C ATOM 523 O GLY A 40 8.067 -7.746 -5.018 1.00 1.00 O ATOM 0 H GLY A 40 11.071 -7.439 -4.414 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.880 -9.594 -4.215 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.578 -9.239 -2.526 1.00 1.00 H new ATOM 527 N THR A 41 7.289 -8.279 -2.907 1.00 1.00 N ATOM 528 CA THR A 41 5.858 -7.809 -3.192 1.00 1.00 C ATOM 529 C THR A 41 5.029 -7.253 -1.888 1.00 1.00 C ATOM 530 O THR A 41 5.119 -7.805 -0.843 1.00 1.00 O ATOM 531 CB THR A 41 5.106 -9.061 -3.781 1.00 1.00 C ATOM 532 OG1 THR A 41 4.392 -8.677 -4.944 1.00 1.00 O ATOM 533 CG2 THR A 41 4.134 -9.665 -2.769 1.00 1.00 C ATOM 0 H THR A 41 7.440 -8.647 -1.968 1.00 1.00 H new ATOM 0 HA THR A 41 5.913 -6.956 -3.869 1.00 1.00 H new ATOM 0 HB THR A 41 5.853 -9.817 -4.025 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.925 -9.455 -5.313 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.635 -10.526 -3.213 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.682 -9.981 -1.882 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.390 -8.919 -2.489 1.00 1.00 H new ATOM 541 N SER A 42 4.208 -6.223 -2.075 1.00 1.00 N ATOM 542 CA SER A 42 3.338 -5.699 -0.948 1.00 1.00 C ATOM 543 C SER A 42 2.035 -6.175 -1.178 1.00 1.00 C ATOM 544 O SER A 42 1.194 -5.425 -1.678 1.00 1.00 O ATOM 545 CB SER A 42 3.278 -4.071 -0.873 1.00 1.00 C ATOM 546 OG SER A 42 3.622 -3.540 -2.126 1.00 1.00 O ATOM 0 H SER A 42 4.105 -5.725 -2.959 1.00 1.00 H new ATOM 0 HA SER A 42 3.765 -6.043 -0.006 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.278 -3.744 -0.588 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.963 -3.704 -0.108 1.00 1.00 H new ATOM 0 HG SER A 42 3.881 -2.601 -2.023 1.00 1.00 H new ATOM 552 N ARG A 43 1.756 -7.436 -0.842 1.00 1.00 N ATOM 553 CA ARG A 43 0.423 -7.997 -1.049 1.00 1.00 C ATOM 554 C ARG A 43 -0.300 -7.378 -2.153 1.00 1.00 C ATOM 555 O ARG A 43 -1.339 -6.830 -1.954 1.00 1.00 O ATOM 556 CB ARG A 43 -0.380 -7.951 0.252 1.00 1.00 C ATOM 557 CG ARG A 43 -0.312 -6.469 0.970 1.00 1.00 C ATOM 558 CD ARG A 43 -1.597 -5.656 0.565 1.00 1.00 C ATOM 559 NE ARG A 43 -1.762 -4.538 1.482 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.915 -3.493 1.440 1.00 1.00 C ATOM 561 NH1 ARG A 43 0.015 -3.443 0.518 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.020 -2.523 2.307 1.00 1.00 N ATOM 0 H ARG A 43 2.429 -8.081 -0.429 1.00 1.00 H new ATOM 0 HA ARG A 43 0.558 -9.039 -1.341 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.419 -8.206 0.045 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.002 -8.705 0.940 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.258 -6.576 2.053 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.586 -5.937 0.656 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.505 -5.292 -0.458 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.475 -6.301 0.596 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.524 -4.546 2.160 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.096 -4.195 -0.166 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.658 -2.652 0.484 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.747 -2.554 3.022 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.375 -1.734 2.270 1.00 1.00 H new ATOM 576 N LYS A 44 0.236 -7.573 -3.438 1.00 1.00 N ATOM 577 CA LYS A 44 -0.489 -7.057 -4.620 1.00 1.00 C ATOM 578 C LYS A 44 -1.802 -7.302 -4.389 1.00 1.00 C ATOM 579 O LYS A 44 -2.185 -8.384 -4.538 1.00 1.00 O ATOM 580 CB LYS A 44 -0.076 -7.740 -5.947 1.00 1.00 C ATOM 581 CG LYS A 44 -1.098 -7.247 -7.111 1.00 1.00 C ATOM 582 CD LYS A 44 -0.318 -6.893 -8.405 1.00 1.00 C ATOM 583 CE LYS A 44 -1.303 -6.821 -9.633 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.081 -8.003 -10.504 1.00 1.00 N ATOM 0 H LYS A 44 1.112 -8.056 -3.639 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.258 -5.999 -4.743 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.950 -7.478 -6.206 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.112 -8.824 -5.844 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -1.825 -8.031 -7.321 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.658 -6.377 -6.767 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.191 -5.937 -8.281 1.00 1.00 H new ATOM 0 HD3 LYS A 44 0.452 -7.642 -8.591 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.336 -6.799 -9.286 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.136 -5.903 -10.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.728 -7.962 -11.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.098 -8.004 -10.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.261 -8.872 -9.962 1.00 1.00 H new ATOM 598 N PRO A 45 -2.634 -6.252 -3.910 1.00 1.00 N ATOM 599 CA PRO A 45 -4.061 -6.469 -3.607 1.00 1.00 C ATOM 600 C PRO A 45 -4.599 -7.211 -4.690 1.00 1.00 C ATOM 601 O PRO A 45 -5.370 -6.735 -5.521 1.00 1.00 O ATOM 602 CB PRO A 45 -4.605 -5.104 -3.463 1.00 1.00 C ATOM 603 CG PRO A 45 -3.459 -4.355 -2.908 1.00 1.00 C ATOM 604 CD PRO A 45 -2.264 -4.869 -3.646 1.00 1.00 C ATOM 0 HA PRO A 45 -4.289 -7.037 -2.705 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.931 -4.695 -4.419 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.466 -5.080 -2.795 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.581 -3.282 -3.054 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.362 -4.521 -1.835 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.084 -4.313 -4.566 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.355 -4.798 -3.048 1.00 1.00 H new ATOM 612 N ASP A 46 -4.061 -8.376 -4.750 1.00 1.00 N ATOM 613 CA ASP A 46 -4.286 -9.269 -5.777 1.00 1.00 C ATOM 614 C ASP A 46 -5.724 -9.794 -5.781 1.00 1.00 C ATOM 615 O ASP A 46 -6.318 -9.934 -4.723 1.00 1.00 O ATOM 616 CB ASP A 46 -3.246 -10.508 -5.671 1.00 1.00 C ATOM 617 CG ASP A 46 -3.667 -11.656 -6.580 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.778 -12.132 -6.430 1.00 1.00 O ATOM 619 OD2 ASP A 46 -2.863 -12.049 -7.414 1.00 1.00 O ATOM 0 H ASP A 46 -3.423 -8.729 -4.037 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.130 -8.735 -6.714 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.246 -10.172 -5.944 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -3.195 -10.857 -4.640 1.00 1.00 H new ATOM 624 N PRO A 47 -6.300 -10.124 -6.983 1.00 1.00 N ATOM 625 CA PRO A 47 -7.694 -10.693 -7.075 1.00 1.00 C ATOM 626 C PRO A 47 -7.873 -11.986 -6.200 1.00 1.00 C ATOM 627 O PRO A 47 -8.229 -13.047 -6.707 1.00 1.00 O ATOM 628 CB PRO A 47 -7.861 -11.022 -8.584 1.00 1.00 C ATOM 629 CG PRO A 47 -6.880 -10.135 -9.298 1.00 1.00 C ATOM 630 CD PRO A 47 -5.691 -9.960 -8.352 1.00 1.00 C ATOM 0 HA PRO A 47 -8.441 -9.994 -6.699 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.655 -12.074 -8.782 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.880 -10.828 -8.918 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.564 -10.584 -10.240 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.330 -9.172 -9.539 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.917 -10.705 -8.538 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.226 -8.981 -8.469 1.00 1.00 H new ATOM 638 N GLY A 48 -7.641 -11.844 -4.906 1.00 1.00 N ATOM 639 CA GLY A 48 -7.785 -12.941 -3.949 1.00 1.00 C ATOM 640 C GLY A 48 -8.304 -12.343 -2.688 1.00 1.00 C ATOM 641 O GLY A 48 -9.514 -12.330 -2.456 1.00 1.00 O ATOM 0 H GLY A 48 -7.346 -10.964 -4.483 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.470 -13.699 -4.329 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.828 -13.434 -3.778 1.00 1.00 H new ATOM 645 N PRO A 49 -7.436 -11.746 -1.881 1.00 1.00 N ATOM 646 CA PRO A 49 -7.872 -11.059 -0.704 1.00 1.00 C ATOM 647 C PRO A 49 -8.972 -10.076 -1.094 1.00 1.00 C ATOM 648 O PRO A 49 -10.152 -10.375 -0.916 1.00 1.00 O ATOM 649 CB PRO A 49 -6.578 -10.325 -0.144 1.00 1.00 C ATOM 650 CG PRO A 49 -5.472 -10.600 -1.126 1.00 1.00 C ATOM 651 CD PRO A 49 -5.973 -11.707 -2.058 1.00 1.00 C ATOM 0 HA PRO A 49 -8.290 -11.716 0.058 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.752 -9.253 -0.046 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.319 -10.698 0.847 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.225 -9.701 -1.691 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.564 -10.911 -0.609 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.710 -11.495 -3.094 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.522 -12.666 -1.804 1.00 1.00 H new ATOM 659 N LYS A 50 -8.567 -8.887 -1.570 1.00 1.00 N ATOM 660 CA LYS A 50 -9.494 -7.762 -1.965 1.00 1.00 C ATOM 661 C LYS A 50 -10.103 -7.107 -0.724 1.00 1.00 C ATOM 662 O LYS A 50 -11.268 -6.712 -0.736 1.00 1.00 O ATOM 663 CB LYS A 50 -10.674 -8.341 -2.910 1.00 1.00 C ATOM 664 CG LYS A 50 -10.321 -8.105 -4.499 1.00 1.00 C ATOM 665 CD LYS A 50 -10.864 -6.669 -4.994 1.00 1.00 C ATOM 666 CE LYS A 50 -10.350 -5.501 -4.052 1.00 1.00 C ATOM 667 NZ LYS A 50 -8.859 -5.388 -4.156 1.00 1.00 N ATOM 0 H LYS A 50 -7.582 -8.657 -1.701 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.922 -7.011 -2.510 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.810 -9.405 -2.718 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.616 -7.850 -2.665 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.243 -8.164 -4.650 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.771 -8.896 -5.098 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -10.534 -6.486 -6.017 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -11.954 -6.675 -5.007 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -10.817 -4.558 -4.338 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.638 -5.700 -3.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.487 -4.915 -3.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.443 -6.338 -4.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -8.611 -4.832 -4.999 1.00 1.00 H new ATOM 681 N GLY A 51 -9.341 -7.045 0.391 1.00 1.00 N ATOM 682 CA GLY A 51 -9.810 -6.564 1.516 1.00 1.00 C ATOM 683 C GLY A 51 -8.994 -7.097 2.540 1.00 1.00 C ATOM 684 O GLY A 51 -8.319 -6.430 3.083 1.00 1.00 O ATOM 0 H GLY A 51 -8.372 -7.359 0.438 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.776 -5.475 1.518 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.852 -6.851 1.659 1.00 1.00 H new ATOM 688 N PRO A 52 -9.029 -8.394 2.784 1.00 1.00 N ATOM 689 CA PRO A 52 -8.135 -9.052 3.820 1.00 1.00 C ATOM 690 C PRO A 52 -6.660 -8.511 3.761 1.00 1.00 C ATOM 691 O PRO A 52 -5.763 -9.185 4.002 1.00 1.00 O ATOM 692 CB PRO A 52 -8.178 -10.518 3.443 1.00 1.00 C ATOM 693 CG PRO A 52 -9.523 -10.715 2.779 1.00 1.00 C ATOM 694 CD PRO A 52 -9.909 -9.348 2.145 1.00 1.00 C ATOM 0 HA PRO A 52 -8.472 -8.852 4.837 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.363 -10.775 2.766 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -8.075 -11.154 4.322 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.469 -11.494 2.018 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.272 -11.030 3.506 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.768 -9.357 1.064 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.956 -9.107 2.327 1.00 1.00 H new ATOM 702 N THR A 53 -6.547 -7.308 3.477 1.00 1.00 N ATOM 703 CA THR A 53 -5.327 -6.593 3.414 1.00 1.00 C ATOM 704 C THR A 53 -5.783 -5.152 3.610 1.00 1.00 C ATOM 705 O THR A 53 -6.927 -4.915 3.486 1.00 1.00 O ATOM 706 CB THR A 53 -4.584 -6.801 2.129 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.442 -5.645 1.534 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.320 -7.751 1.206 1.00 1.00 C ATOM 0 H THR A 53 -7.355 -6.725 3.260 1.00 1.00 H new ATOM 0 HA THR A 53 -4.602 -6.921 4.159 1.00 1.00 H new ATOM 0 HB THR A 53 -3.614 -7.241 2.359 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.262 -5.787 0.581 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.751 -7.877 0.285 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.436 -8.718 1.696 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.303 -7.342 0.972 1.00 1.00 H new ATOM 716 N TYR A 54 -4.999 -4.256 3.926 1.00 1.00 N ATOM 717 CA TYR A 54 -5.584 -2.829 4.215 1.00 1.00 C ATOM 718 C TYR A 54 -4.606 -1.932 5.047 1.00 1.00 C ATOM 719 O TYR A 54 -4.087 -2.383 6.066 1.00 1.00 O ATOM 720 CB TYR A 54 -6.900 -3.035 5.112 1.00 1.00 C ATOM 721 CG TYR A 54 -7.051 -1.959 6.265 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.349 -2.115 7.466 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.899 -0.845 6.097 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.490 -1.165 8.490 1.00 1.00 C ATOM 725 CE2 TYR A 54 -8.032 0.096 7.118 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.331 -0.061 8.311 1.00 1.00 C ATOM 727 OH TYR A 54 -7.468 0.869 9.319 1.00 1.00 O ATOM 0 H TYR A 54 -3.988 -4.354 4.020 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.771 -2.338 3.260 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.779 -2.993 4.469 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.876 -4.031 5.555 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.699 -2.966 7.605 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.447 -0.720 5.175 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.949 -1.286 9.417 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.681 0.949 6.983 1.00 1.00 H new ATOM 0 HH TYR A 54 -8.087 1.573 9.033 1.00 1.00 H new ATOM 737 N CYS A 55 -4.362 -0.547 4.593 1.00 1.00 N ATOM 738 CA CYS A 55 -3.429 0.356 5.436 1.00 1.00 C ATOM 739 C CYS A 55 -3.897 1.833 5.791 1.00 1.00 C ATOM 740 O CYS A 55 -3.543 2.392 6.829 1.00 1.00 O ATOM 741 CB CYS A 55 -2.094 0.444 4.748 1.00 1.00 C ATOM 742 SG CYS A 55 -0.768 0.384 6.052 1.00 1.00 S ATOM 0 H CYS A 55 -4.759 -0.119 3.757 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.417 -0.146 6.403 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.973 -0.379 4.044 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -2.022 1.368 4.174 1.00 1.00 H new ATOM 747 N TRP A 56 -4.624 2.409 4.863 1.00 1.00 N ATOM 748 CA TRP A 56 -5.102 3.727 4.913 1.00 1.00 C ATOM 749 C TRP A 56 -6.651 3.811 5.053 1.00 1.00 C ATOM 750 O TRP A 56 -7.235 3.183 5.942 1.00 1.00 O ATOM 751 CB TRP A 56 -4.741 4.336 3.557 1.00 1.00 C ATOM 752 CG TRP A 56 -4.920 5.830 3.578 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.264 6.493 2.535 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.763 6.847 4.696 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.313 7.788 2.817 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.021 8.062 4.158 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.413 6.807 6.109 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.962 9.252 4.913 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.359 7.992 6.856 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.634 9.208 6.253 1.00 1.00 C ATOM 0 H TRP A 56 -4.902 1.921 4.011 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.669 4.232 5.776 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.708 4.092 3.307 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.368 3.901 2.779 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.482 6.060 1.570 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.539 8.507 2.130 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.194 5.861 6.583 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.174 10.200 4.441 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.102 7.957 7.904 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.592 10.120 6.830 1.00 1.00 H new ATOM 771 N ASP A 57 -7.357 4.570 4.018 1.00 1.00 N ATOM 772 CA ASP A 57 -8.744 4.647 3.941 1.00 1.00 C ATOM 773 C ASP A 57 -9.191 5.913 3.159 1.00 1.00 C ATOM 774 O ASP A 57 -10.359 6.264 3.230 1.00 1.00 O ATOM 775 CB ASP A 57 -9.351 4.671 5.316 1.00 1.00 C ATOM 776 CG ASP A 57 -9.871 3.276 5.737 1.00 1.00 C ATOM 777 OD1 ASP A 57 -10.272 2.524 4.865 1.00 1.00 O ATOM 778 OD2 ASP A 57 -9.858 2.995 6.928 1.00 1.00 O ATOM 0 H ASP A 57 -6.877 5.092 3.285 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.093 3.762 3.408 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.608 5.015 6.036 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.172 5.387 5.339 1.00 1.00 H new ATOM 783 N GLU A 58 -8.258 6.628 2.449 1.00 1.00 N ATOM 784 CA GLU A 58 -8.643 7.801 1.818 1.00 1.00 C ATOM 785 C GLU A 58 -7.521 8.460 1.217 1.00 1.00 C ATOM 786 O GLU A 58 -7.031 9.375 1.811 1.00 1.00 O ATOM 787 CB GLU A 58 -9.176 8.749 2.963 1.00 1.00 C ATOM 788 CG GLU A 58 -8.138 8.736 4.098 1.00 1.00 C ATOM 789 CD GLU A 58 -8.680 9.469 5.322 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.683 10.692 5.304 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.085 8.799 6.260 1.00 1.00 O ATOM 0 H GLU A 58 -7.278 6.369 2.339 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.379 7.583 1.044 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.319 9.762 2.586 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.144 8.404 3.326 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.891 7.708 4.362 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.216 9.209 3.761 1.00 1.00 H new ATOM 798 N ALA A 59 -7.033 8.148 0.005 1.00 1.00 N ATOM 799 CA ALA A 59 -5.922 9.003 -0.522 1.00 1.00 C ATOM 800 C ALA A 59 -6.149 9.311 -2.100 1.00 1.00 C ATOM 801 O ALA A 59 -5.247 9.628 -2.756 1.00 1.00 O ATOM 802 CB ALA A 59 -4.735 8.253 -0.430 1.00 1.00 C ATOM 0 H ALA A 59 -7.345 7.384 -0.594 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.883 9.934 0.043 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.901 8.845 -0.806 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.552 7.988 0.611 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.832 7.344 -1.024 1.00 1.00 H new ATOM 808 N LYS A 60 -7.392 8.920 -2.692 1.00 1.00 N ATOM 809 CA LYS A 60 -7.544 8.903 -4.064 1.00 1.00 C ATOM 810 C LYS A 60 -7.439 10.171 -4.683 1.00 1.00 C ATOM 811 O LYS A 60 -6.871 10.365 -5.725 1.00 1.00 O ATOM 812 CB LYS A 60 -8.987 8.315 -4.410 1.00 1.00 C ATOM 813 CG LYS A 60 -9.315 7.208 -3.389 1.00 1.00 C ATOM 814 CD LYS A 60 -10.588 6.393 -3.820 1.00 1.00 C ATOM 815 CE LYS A 60 -11.865 7.067 -3.223 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.959 6.730 -1.769 1.00 1.00 N ATOM 0 H LYS A 60 -8.219 8.638 -2.165 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.728 8.291 -4.449 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.738 9.104 -4.370 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -9.001 7.913 -5.423 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.464 6.534 -3.294 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.480 7.653 -2.408 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.658 6.356 -4.907 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.510 5.364 -3.470 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.818 8.148 -3.357 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.755 6.720 -3.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.915 6.950 -1.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.767 5.717 -1.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.261 7.288 -1.237 1.00 1.00 H new ATOM 872 N PRO A 65 -7.455 13.975 0.118 1.00 1.00 N ATOM 873 CA PRO A 65 -7.092 12.879 0.954 1.00 1.00 C ATOM 874 C PRO A 65 -5.636 12.686 0.959 1.00 1.00 C ATOM 875 O PRO A 65 -4.924 13.501 0.476 1.00 1.00 O ATOM 876 CB PRO A 65 -7.876 11.658 0.355 1.00 1.00 C ATOM 877 CG PRO A 65 -8.940 12.297 -0.329 1.00 1.00 C ATOM 878 CD PRO A 65 -8.276 13.538 -0.921 1.00 1.00 C ATOM 0 HA PRO A 65 -7.350 13.031 2.002 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.256 11.066 -0.318 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.237 10.984 1.132 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.363 11.658 -1.104 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.754 12.559 0.347 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.703 13.301 -1.817 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.009 14.294 -1.202 1.00 1.00 H new ATOM 886 N ASN A 66 -5.192 11.694 1.606 1.00 1.00 N ATOM 887 CA ASN A 66 -3.681 11.518 1.747 1.00 1.00 C ATOM 888 C ASN A 66 -3.010 11.772 0.410 1.00 1.00 C ATOM 889 O ASN A 66 -1.827 12.074 0.336 1.00 1.00 O ATOM 890 CB ASN A 66 -3.284 10.095 2.274 1.00 1.00 C ATOM 891 CG ASN A 66 -2.474 10.170 3.622 1.00 1.00 C ATOM 892 OD1 ASN A 66 -1.842 11.271 3.951 1.00 1.00 O flip ATOM 893 ND2 ASN A 66 -2.418 9.191 4.365 1.00 1.00 N flip ATOM 0 H ASN A 66 -5.764 10.979 2.056 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.340 12.243 2.487 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.185 9.500 2.425 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.686 9.583 1.520 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -2.907 8.332 4.114 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.882 9.238 5.232 1.00 1.00 H new ATOM 900 N ARG A 67 -3.850 11.621 -0.638 1.00 1.00 N ATOM 901 CA ARG A 67 -3.487 11.809 -2.049 1.00 1.00 C ATOM 902 C ARG A 67 -2.733 10.649 -2.614 1.00 1.00 C ATOM 903 O ARG A 67 -1.633 10.357 -2.210 1.00 1.00 O ATOM 904 CB ARG A 67 -2.660 13.106 -2.241 1.00 1.00 C ATOM 905 CG ARG A 67 -3.578 14.314 -2.172 1.00 1.00 C ATOM 906 CD ARG A 67 -4.130 14.624 -3.559 1.00 1.00 C ATOM 907 NE ARG A 67 -3.171 15.479 -4.377 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.666 16.693 -3.946 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.010 17.206 -2.783 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.860 17.357 -4.725 1.00 1.00 N ATOM 0 H ARG A 67 -4.828 11.357 -0.515 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.427 11.889 -2.594 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.892 13.176 -1.471 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -2.146 13.082 -3.202 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.397 14.120 -1.480 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -3.032 15.175 -1.787 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -4.325 13.691 -4.088 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -5.084 15.142 -3.462 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.885 15.137 -5.294 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.662 16.707 -2.178 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.624 18.103 -2.487 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -1.609 16.981 -5.639 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -1.480 18.253 -4.421 1.00 1.00 H new ATOM 924 N CYS A 68 -3.307 10.087 -3.638 1.00 1.00 N ATOM 925 CA CYS A 68 -2.713 9.047 -4.394 1.00 1.00 C ATOM 926 C CYS A 68 -3.318 9.127 -5.631 1.00 1.00 C ATOM 927 O CYS A 68 -2.854 9.875 -6.493 1.00 1.00 O ATOM 928 CB CYS A 68 -2.773 7.586 -3.675 1.00 1.00 C ATOM 929 SG CYS A 68 -4.380 6.778 -3.497 1.00 1.00 S ATOM 0 H CYS A 68 -4.232 10.356 -3.973 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.634 9.173 -4.488 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.124 6.913 -4.236 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.341 7.688 -2.679 1.00 1.00 H new ATOM 934 N SER A 69 -4.305 8.436 -5.791 1.00 1.00 N ATOM 935 CA SER A 69 -5.047 8.435 -6.995 1.00 1.00 C ATOM 936 C SER A 69 -4.517 7.463 -7.983 1.00 1.00 C ATOM 937 O SER A 69 -5.266 6.947 -8.816 1.00 1.00 O ATOM 938 CB SER A 69 -5.083 9.867 -7.677 1.00 1.00 C ATOM 939 OG SER A 69 -4.017 9.962 -8.623 1.00 1.00 O ATOM 0 H SER A 69 -4.673 7.808 -5.077 1.00 1.00 H new ATOM 0 HA SER A 69 -6.057 8.143 -6.708 1.00 1.00 H new ATOM 0 HB2 SER A 69 -6.041 10.023 -8.173 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.985 10.646 -6.921 1.00 1.00 H new ATOM 0 HG SER A 69 -3.168 10.077 -8.148 1.00 1.00 H new ATOM 945 N ASN A 70 -3.192 7.310 -8.013 1.00 1.00 N ATOM 946 CA ASN A 70 -2.550 6.487 -9.081 1.00 1.00 C ATOM 947 C ASN A 70 -1.877 5.331 -8.599 1.00 1.00 C ATOM 948 O ASN A 70 -1.819 4.326 -9.281 1.00 1.00 O ATOM 949 CB ASN A 70 -1.504 7.373 -9.790 1.00 1.00 C ATOM 950 CG ASN A 70 -2.120 8.720 -10.159 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.589 9.767 -9.793 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.216 8.755 -10.867 1.00 1.00 N ATOM 0 H ASN A 70 -2.546 7.724 -7.341 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.348 6.142 -9.739 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.643 7.524 -9.139 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.141 6.873 -10.688 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -3.633 9.652 -11.117 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.655 7.886 -11.170 1.00 1.00 H new ATOM 959 N SER A 71 -1.297 5.473 -7.454 1.00 1.00 N ATOM 960 CA SER A 71 -0.525 4.460 -6.837 1.00 1.00 C ATOM 961 C SER A 71 0.520 5.169 -6.007 1.00 1.00 C ATOM 962 O SER A 71 1.417 5.713 -6.581 1.00 1.00 O ATOM 963 CB SER A 71 0.180 3.599 -7.868 1.00 1.00 C ATOM 964 OG SER A 71 1.351 3.034 -7.294 1.00 1.00 O ATOM 0 H SER A 71 -1.353 6.332 -6.906 1.00 1.00 H new ATOM 0 HA SER A 71 -1.167 3.811 -6.242 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.486 2.808 -8.214 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.442 4.199 -8.740 1.00 1.00 H new ATOM 0 HG SER A 71 1.805 2.477 -7.960 1.00 1.00 H new ATOM 970 N LYS A 72 0.398 5.120 -4.609 1.00 1.00 N ATOM 971 CA LYS A 72 1.451 5.805 -3.679 1.00 1.00 C ATOM 972 C LYS A 72 1.025 6.354 -2.343 1.00 1.00 C ATOM 973 O LYS A 72 1.677 7.221 -1.819 1.00 1.00 O ATOM 974 CB LYS A 72 1.937 7.109 -4.459 1.00 1.00 C ATOM 975 CG LYS A 72 0.708 7.995 -4.848 1.00 1.00 C ATOM 976 CD LYS A 72 1.075 9.567 -4.731 1.00 1.00 C ATOM 977 CE LYS A 72 0.616 10.334 -5.999 1.00 1.00 C ATOM 978 NZ LYS A 72 0.713 11.800 -5.741 1.00 1.00 N ATOM 0 H LYS A 72 -0.361 4.650 -4.117 1.00 1.00 H new ATOM 0 HA LYS A 72 2.156 5.001 -3.466 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.623 7.681 -3.834 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.486 6.822 -5.356 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.395 7.764 -5.866 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -0.134 7.764 -4.196 1.00 1.00 H new ATOM 0 HD2 LYS A 72 0.596 9.993 -3.849 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.150 9.685 -4.598 1.00 1.00 H new ATOM 0 HE2 LYS A 72 1.238 10.060 -6.851 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.409 10.063 -6.252 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.407 12.322 -6.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 0.102 12.052 -4.938 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.698 12.049 -5.518 1.00 1.00 H new ATOM 992 N GLN A 73 0.029 5.999 -1.918 1.00 1.00 N ATOM 993 CA GLN A 73 -0.524 6.559 -0.723 1.00 1.00 C ATOM 994 C GLN A 73 -1.950 6.082 -0.618 1.00 1.00 C ATOM 995 O GLN A 73 -2.748 6.801 -0.258 1.00 1.00 O ATOM 996 CB GLN A 73 -0.575 8.247 -0.896 1.00 1.00 C ATOM 997 CG GLN A 73 0.356 8.987 0.066 1.00 1.00 C ATOM 998 CD GLN A 73 -0.113 8.813 1.503 1.00 1.00 C ATOM 999 OE1 GLN A 73 -0.969 7.978 1.783 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.400 9.564 2.437 1.00 1.00 N ATOM 0 H GLN A 73 -0.542 5.268 -2.343 1.00 1.00 H new ATOM 0 HA GLN A 73 0.067 6.272 0.147 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.308 8.508 -1.920 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.597 8.590 -0.736 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.373 8.608 -0.039 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.383 10.047 -0.188 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.111 10.257 2.202 1.00 1.00 H new ATOM 0 HE22 GLN A 73 0.091 9.459 3.403 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.240 4.821 -0.884 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.764 4.336 -0.716 1.00 1.00 C ATOM 1011 C CYS A 74 -3.803 3.375 0.422 1.00 1.00 C ATOM 1012 O CYS A 74 -2.992 3.559 1.314 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.295 3.802 -2.102 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.689 4.849 -3.532 1.00 1.00 S ATOM 0 H CYS A 74 -1.576 4.110 -1.192 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.453 5.140 -0.457 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.969 2.771 -2.243 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.385 3.794 -2.094 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.807 2.326 0.531 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.803 1.472 1.878 1.00 1.00 C ATOM 1021 C ASP A 75 -4.063 0.170 1.775 1.00 1.00 C ATOM 1022 O ASP A 75 -2.839 0.161 1.905 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.326 1.441 2.410 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.492 0.717 3.688 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.392 -0.374 3.669 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.744 1.324 4.656 1.00 1.00 O ATOM 0 H ASP A 75 -5.511 2.083 -0.166 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.199 1.940 2.655 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.680 2.465 2.533 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.957 0.975 1.653 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.736 -0.915 1.591 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.007 -2.216 1.527 1.00 1.00 C ATOM 1033 C GLY A 76 -4.622 -3.294 0.660 1.00 1.00 C ATOM 1034 O GLY A 76 -3.912 -4.164 0.256 1.00 1.00 O ATOM 0 H GLY A 76 -5.749 -0.970 1.482 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.997 -2.023 1.166 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.915 -2.605 2.541 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.898 -3.217 0.320 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.512 -4.243 -0.555 1.00 1.00 C ATOM 1040 C ALA A 77 -7.145 -3.597 -1.770 1.00 1.00 C ATOM 1041 O ALA A 77 -8.201 -4.029 -2.237 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.629 -4.932 0.191 1.00 1.00 C ATOM 0 H ALA A 77 -6.531 -2.476 0.621 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.729 -4.941 -0.853 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.083 -5.688 -0.450 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.229 -5.408 1.086 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.383 -4.198 0.477 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.573 -2.514 -2.192 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.102 -1.717 -3.224 1.00 1.00 C ATOM 1050 C ARG A 78 -6.265 -1.787 -4.406 1.00 1.00 C ATOM 1051 O ARG A 78 -5.210 -2.354 -4.353 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.173 -0.348 -2.702 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.138 -0.343 -1.482 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.460 1.037 -1.143 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.274 1.654 -2.190 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.549 1.323 -2.356 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.088 0.416 -1.596 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.263 1.906 -3.283 1.00 1.00 N ATOM 0 H ARG A 78 -5.697 -2.159 -1.808 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.091 -2.065 -3.523 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.183 -0.003 -2.405 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.531 0.335 -3.473 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.047 -0.896 -1.718 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.674 -0.842 -0.631 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.996 1.067 -0.194 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.541 1.607 -1.008 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.854 2.352 -2.804 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.531 -0.040 -0.873 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.067 0.161 -1.723 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.841 2.617 -3.880 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.242 1.650 -3.409 1.00 1.00 H new ATOM 1072 N THR A 79 -6.715 -1.208 -5.549 1.00 1.00 N ATOM 1073 CA THR A 79 -5.933 -1.271 -6.683 1.00 1.00 C ATOM 1074 C THR A 79 -6.083 -0.134 -7.493 1.00 1.00 C ATOM 1075 O THR A 79 -6.652 -0.211 -8.527 1.00 1.00 O ATOM 1076 CB THR A 79 -6.164 -2.550 -7.421 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.391 -3.600 -6.485 1.00 1.00 O ATOM 1078 CG2 THR A 79 -4.895 -2.844 -8.234 1.00 1.00 C ATOM 0 H THR A 79 -7.603 -0.716 -5.651 1.00 1.00 H new ATOM 0 HA THR A 79 -4.889 -1.271 -6.370 1.00 1.00 H new ATOM 0 HB THR A 79 -7.031 -2.473 -8.077 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.544 -4.440 -6.966 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.025 -3.773 -8.788 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.713 -2.027 -8.932 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.045 -2.940 -7.559 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.395 1.001 -6.999 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.277 2.258 -7.682 1.00 1.00 C ATOM 1088 C CYS A 80 -5.773 2.319 -9.006 1.00 1.00 C ATOM 1089 O CYS A 80 -5.155 2.909 -9.901 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.801 2.730 -7.622 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.709 4.420 -6.513 1.00 1.00 S ATOM 0 H CYS A 80 -4.923 0.998 -6.095 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.941 2.934 -7.143 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.173 1.955 -7.183 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.422 2.916 -8.627 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.304 0.349 -5.245 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.346 1.254 -4.342 1.00 1.00 C ATOM 1138 C PHE A 85 -4.787 1.758 -4.338 1.00 1.00 C ATOM 1139 O PHE A 85 -5.462 1.370 -3.552 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.199 2.258 -4.566 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.019 2.105 -3.510 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.226 1.635 -2.156 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.268 2.434 -3.922 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.148 1.516 -1.295 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.347 2.307 -3.037 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.138 1.847 -1.726 1.00 1.00 C ATOM 0 HA PHE A 85 -3.146 0.925 -3.322 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.799 2.124 -5.571 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.596 3.272 -4.513 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.219 1.378 -1.818 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.436 2.789 -4.928 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.303 1.165 -0.285 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.344 2.564 -3.364 1.00 1.00 H new ATOM 0 HZ PHE A 85 1.974 1.749 -1.050 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.210 2.673 -5.156 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.732 3.203 -5.016 1.00 1.00 C ATOM 1158 C CYS A 86 -7.792 2.898 -6.082 1.00 1.00 C ATOM 1159 O CYS A 86 -7.780 3.369 -7.219 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.711 4.603 -4.803 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.713 5.352 -6.323 1.00 1.00 S ATOM 0 H CYS A 86 -4.658 3.101 -5.899 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.081 2.593 -4.183 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.722 5.008 -4.759 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.228 4.849 -3.857 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.810 2.036 -5.569 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.908 1.603 -6.326 1.00 1.00 C ATOM 1168 C GLN A 87 -10.634 0.375 -5.666 1.00 1.00 C ATOM 1169 O GLN A 87 -11.861 0.292 -5.685 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.397 1.271 -7.712 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.139 0.070 -8.328 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.640 -1.254 -7.719 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.627 -1.274 -7.037 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.310 -2.355 -7.935 1.00 1.00 N ATOM 0 H GLN A 87 -8.806 1.677 -4.614 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.659 2.392 -6.377 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.514 2.140 -8.359 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.330 1.052 -7.662 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.211 0.173 -8.157 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -9.988 0.058 -9.407 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.156 -2.334 -8.505 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -9.987 -3.235 -7.533 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.885 -0.547 -5.183 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.477 -1.781 -4.607 1.00 1.00 C ATOM 1185 C GLY A 88 -11.307 -1.554 -3.344 1.00 1.00 C ATOM 1186 O GLY A 88 -12.314 -0.842 -3.365 1.00 1.00 O ATOM 0 H GLY A 88 -8.866 -0.508 -5.157 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.107 -2.253 -5.361 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.674 -2.482 -4.378 1.00 1.00 H new ATOM 1190 N THR A 89 -10.926 -2.270 -2.253 1.00 1.00 N ATOM 1191 CA THR A 89 -11.696 -2.252 -0.992 1.00 1.00 C ATOM 1192 C THR A 89 -10.921 -1.894 0.273 1.00 1.00 C ATOM 1193 O THR A 89 -11.275 -0.944 0.966 1.00 1.00 O ATOM 1194 CB THR A 89 -12.322 -3.711 -0.846 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.611 -3.711 -1.457 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.474 -4.147 0.666 1.00 1.00 C ATOM 0 H THR A 89 -10.095 -2.861 -2.226 1.00 1.00 H new ATOM 0 HA THR A 89 -12.431 -1.451 -1.070 1.00 1.00 H new ATOM 0 HB THR A 89 -11.649 -4.419 -1.330 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.011 -4.602 -1.378 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.904 -5.147 0.715 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.494 -4.150 1.144 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.128 -3.445 1.183 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.017 -2.724 0.626 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.325 -2.618 1.876 1.00 1.00 C ATOM 1206 C ALA A 90 -10.157 -3.459 2.852 1.00 1.00 C ATOM 1207 O ALA A 90 -11.339 -3.226 3.073 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.145 -1.217 2.381 1.00 1.00 C ATOM 0 H ALA A 90 -9.722 -3.515 0.053 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.300 -2.971 1.762 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.611 -1.239 3.331 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.571 -0.640 1.656 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.121 -0.753 2.523 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.491 -4.374 3.409 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.114 -5.376 4.500 1.00 1.00 C ATOM 1216 C GLY A 91 -8.977 -6.176 5.589 1.00 1.00 C ATOM 1217 O GLY A 91 -9.399 -6.721 6.602 1.00 1.00 O ATOM 0 H GLY A 91 -8.506 -4.547 3.209 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.828 -4.818 5.105 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.677 -6.146 3.972 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.601 -6.100 5.310 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.443 -6.696 6.268 1.00 1.00 C ATOM 1223 C HIS A 92 -6.480 -8.200 6.559 1.00 1.00 C ATOM 1224 O HIS A 92 -7.515 -8.682 7.024 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.566 -5.991 7.720 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.533 -6.729 8.673 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.830 -6.297 8.886 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.373 -7.838 9.470 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.395 -7.134 9.780 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.547 -8.091 10.165 1.00 1.00 N ATOM 0 H HIS A 92 -7.235 -5.655 4.468 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.526 -6.497 5.713 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.579 -5.944 8.179 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.907 -4.964 7.591 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.277 -5.492 8.447 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.469 -8.424 9.544 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.409 -7.042 10.140 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.423 -8.970 6.323 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.520 -10.498 6.672 1.00 1.00 C ATOM 1241 C ALA A 93 -4.890 -10.762 8.060 1.00 1.00 C ATOM 1242 O ALA A 93 -3.668 -10.781 8.201 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.766 -11.435 5.591 1.00 1.00 C ATOM 0 H ALA A 93 -4.536 -8.657 5.929 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.580 -10.751 6.665 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.866 -12.480 5.883 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.213 -11.289 4.608 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.710 -11.168 5.552 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.742 -10.966 9.073 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.258 -11.231 10.431 1.00 1.00 C ATOM 1251 C ALA A 94 -4.591 -12.609 10.496 1.00 1.00 C ATOM 1252 O ALA A 94 -5.291 -13.573 10.763 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.452 -11.183 11.442 1.00 1.00 C ATOM 0 H ALA A 94 -6.758 -10.953 8.979 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.527 -10.467 10.696 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.084 -11.381 12.449 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.915 -10.197 11.412 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -7.190 -11.938 11.170 1.00 1.00 H new