USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 590 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= -0.758 USER MOD Set 1.2: A 87 GLN : amide:sc= -12.3! C(o=-13!,f=-28!) USER MOD Set 2.1: A 69 SER OG : rot -59:sc= 0.684 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.382 K(o=0.3,f=-3.2) USER MOD Set 3.1: A 66 ASN : amide:sc= -8.15! C(o=-16!,f=-13!) USER MOD Set 3.2: A 73 GLN : amide:sc= -7.38! C(o=-16!,f=-15!) USER MOD Set 4.1: A 31 THR OG1 : rot 161:sc= -7.9! USER MOD Set 4.2: A 39 GLN : amide:sc= -6.28! C(o=-14!,f=-17!) USER MOD Set 5.1: A 21 SER OG : rot 38:sc= 0.279 USER MOD Set 5.2: A 22 ASN : amide:sc= -11.4! C(o=-11!,f=-7!) USER MOD Set 6.1: A 1 GLY N :NH3+ -158:sc= -27.7! (180deg=-16.8!) USER MOD Set 6.2: A 23 ASN : amide:sc= -22.7! C(o=-50!,f=-47!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 32:sc= 0.968 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.56) USER MOD Single : A 12 ASN : amide:sc= -1.91! C(o=-1.9!,f=-5.7!) USER MOD Single : A 13 ASN : amide:sc= -2.98 K(o=-3,f=-5.4!) USER MOD Single : A 18 ASN : amide:sc= -9.71! C(o=-9.7!,f=-17!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 3:sc= 0.764! USER MOD Single : A 34 SER OG : rot -42:sc= 0.339 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 -175:sc= -3.21! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.935! (180deg=-1.83!) USER MOD Single : A 53 THR OG1 : rot -140:sc= -5.96! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD Single : A 71 SER OG : rot -65:sc= 0.51 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -72:sc= 0.0807 USER MOD Single : A 82 SER OG : rot 32:sc= 0.777 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -6.97! C(o=-7!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.945 -5.359 3.800 1.00 1.00 N ATOM 2 CA GLY A 1 6.534 -6.405 3.164 1.00 1.00 C ATOM 3 C GLY A 1 6.314 -7.519 4.186 1.00 1.00 C ATOM 4 O GLY A 1 7.295 -7.995 4.771 1.00 1.00 O ATOM 0 H1 GLY A 1 6.752 -4.509 3.232 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.447 -5.288 4.710 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.968 -5.436 3.971 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.608 -6.188 2.631 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.268 -6.711 2.418 1.00 1.00 H new ATOM 10 N SER A 2 5.014 -8.093 4.340 1.00 1.00 N ATOM 11 CA SER A 2 4.851 -9.259 5.187 1.00 1.00 C ATOM 12 C SER A 2 3.790 -10.050 4.593 1.00 1.00 C ATOM 13 O SER A 2 4.035 -11.126 4.035 1.00 1.00 O ATOM 14 CB SER A 2 4.568 -8.891 6.615 1.00 1.00 C ATOM 15 OG SER A 2 4.970 -9.940 7.478 1.00 1.00 O ATOM 0 H SER A 2 4.163 -7.749 3.896 1.00 1.00 H new ATOM 0 HA SER A 2 5.775 -9.835 5.236 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.097 -7.974 6.874 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.504 -8.692 6.743 1.00 1.00 H new ATOM 0 HG SER A 2 4.783 -9.689 8.407 1.00 1.00 H new ATOM 21 N GLY A 3 2.638 -9.614 4.725 1.00 1.00 N ATOM 22 CA GLY A 3 1.534 -10.320 4.205 1.00 1.00 C ATOM 23 C GLY A 3 0.409 -9.407 3.959 1.00 1.00 C ATOM 24 O GLY A 3 0.474 -8.238 4.296 1.00 1.00 O ATOM 0 H GLY A 3 2.403 -8.743 5.202 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.817 -10.817 3.277 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.231 -11.100 4.904 1.00 1.00 H new ATOM 28 N PRO A 4 -0.650 -9.900 3.377 1.00 1.00 N ATOM 29 CA PRO A 4 -1.834 -9.066 3.092 1.00 1.00 C ATOM 30 C PRO A 4 -2.253 -8.507 4.253 1.00 1.00 C ATOM 31 O PRO A 4 -3.088 -9.084 4.925 1.00 1.00 O ATOM 32 CB PRO A 4 -2.892 -10.037 2.532 1.00 1.00 C ATOM 33 CG PRO A 4 -2.327 -11.425 2.813 1.00 1.00 C ATOM 34 CD PRO A 4 -0.804 -11.253 2.957 1.00 1.00 C ATOM 0 HA PRO A 4 -1.635 -8.261 2.385 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.857 -9.896 3.019 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -3.048 -9.881 1.465 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.758 -11.843 3.723 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.565 -12.113 2.002 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.391 -11.948 3.688 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.290 -11.440 2.014 1.00 1.00 H new ATOM 42 N THR A 5 -1.758 -7.427 4.577 1.00 1.00 N ATOM 43 CA THR A 5 -2.099 -6.800 5.768 1.00 1.00 C ATOM 44 C THR A 5 -1.031 -5.982 6.250 1.00 1.00 C ATOM 45 O THR A 5 -1.276 -5.229 7.072 1.00 1.00 O ATOM 46 CB THR A 5 -2.404 -7.784 6.964 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.177 -7.111 8.210 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.499 -9.090 6.933 1.00 1.00 C ATOM 0 H THR A 5 -1.076 -6.920 4.013 1.00 1.00 H new ATOM 0 HA THR A 5 -2.994 -6.238 5.503 1.00 1.00 H new ATOM 0 HB THR A 5 -3.445 -8.090 6.860 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.384 -6.158 8.110 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.753 -9.729 7.779 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.674 -9.632 6.004 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.448 -8.806 6.995 1.00 1.00 H new ATOM 56 N TYR A 6 0.392 -6.310 5.909 1.00 1.00 N ATOM 57 CA TYR A 6 1.416 -5.586 6.628 1.00 1.00 C ATOM 58 C TYR A 6 1.144 -4.400 6.853 1.00 1.00 C ATOM 59 O TYR A 6 1.611 -3.805 7.850 1.00 1.00 O ATOM 60 CB TYR A 6 2.805 -5.629 6.157 1.00 1.00 C ATOM 61 CG TYR A 6 3.741 -5.226 7.581 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.088 -6.235 8.507 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.136 -3.870 7.891 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.808 -5.926 9.668 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.853 -3.595 9.059 1.00 1.00 C ATOM 66 CZ TYR A 6 5.190 -4.619 9.936 1.00 1.00 C ATOM 67 OH TYR A 6 5.899 -4.334 11.084 1.00 1.00 O ATOM 0 H TYR A 6 0.709 -6.993 5.221 1.00 1.00 H new ATOM 0 HA TYR A 6 1.390 -6.194 7.532 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.067 -6.615 5.772 1.00 1.00 H new ATOM 0 HB3 TYR A 6 2.976 -4.916 5.351 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.795 -7.257 8.317 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.876 -3.067 7.218 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.068 -6.712 10.361 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.147 -2.580 9.281 1.00 1.00 H new ATOM 0 HH TYR A 6 6.089 -3.373 11.121 1.00 1.00 H new ATOM 77 N CYS A 7 0.340 -3.877 6.035 1.00 1.00 N ATOM 78 CA CYS A 7 -0.027 -2.658 6.227 1.00 1.00 C ATOM 79 C CYS A 7 1.029 -1.713 6.444 1.00 1.00 C ATOM 80 O CYS A 7 0.999 -0.944 7.424 1.00 1.00 O ATOM 81 CB CYS A 7 -0.908 -2.647 7.386 1.00 1.00 C ATOM 82 SG CYS A 7 -1.674 -0.961 7.606 1.00 1.00 S ATOM 0 H CYS A 7 -0.057 -4.338 5.216 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.508 -2.334 5.304 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.691 -3.396 7.263 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.346 -2.918 8.280 1.00 1.00 H new ATOM 87 N TRP A 8 1.913 -1.687 5.549 1.00 1.00 N ATOM 88 CA TRP A 8 2.963 -0.665 5.635 1.00 1.00 C ATOM 89 C TRP A 8 2.198 0.588 6.003 1.00 1.00 C ATOM 90 O TRP A 8 1.442 1.032 5.182 1.00 1.00 O ATOM 91 CB TRP A 8 3.596 -0.427 4.342 1.00 1.00 C ATOM 92 CG TRP A 8 4.886 0.536 4.564 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.177 1.736 3.880 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.022 0.388 5.566 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.378 2.232 4.330 1.00 1.00 N ATOM 96 CE2 TRP A 8 6.927 1.461 5.376 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.359 -0.578 6.601 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.085 1.582 6.151 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.523 -0.423 7.362 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.374 0.644 7.138 1.00 1.00 C ATOM 0 H TRP A 8 1.971 -2.321 4.752 1.00 1.00 H new ATOM 0 HA TRP A 8 3.747 -0.958 6.334 1.00 1.00 H new ATOM 0 HB2 TRP A 8 3.902 -1.371 3.891 1.00 1.00 H new ATOM 0 HB3 TRP A 8 2.890 0.040 3.655 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.555 2.192 3.124 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.823 3.067 3.949 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.707 -1.419 6.783 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.759 2.409 5.983 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.759 -1.143 8.131 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.269 0.750 7.733 1.00 1.00 H new ATOM 111 N ASN A 9 2.241 1.095 7.240 1.00 1.00 N ATOM 112 CA ASN A 9 1.371 2.193 7.591 1.00 1.00 C ATOM 113 C ASN A 9 1.089 3.133 6.516 1.00 1.00 C ATOM 114 O ASN A 9 -0.045 3.586 6.352 1.00 1.00 O ATOM 115 CB ASN A 9 1.923 2.935 8.792 1.00 1.00 C ATOM 116 CG ASN A 9 2.163 1.964 9.945 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.331 1.096 10.211 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.258 2.062 10.649 1.00 1.00 N ATOM 0 H ASN A 9 2.854 0.766 7.986 1.00 1.00 H new ATOM 0 HA ASN A 9 0.413 1.728 7.826 1.00 1.00 H new ATOM 0 HB2 ASN A 9 2.856 3.432 8.525 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.225 3.713 9.101 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.427 1.418 11.422 1.00 1.00 H new ATOM 0 HD22 ASN A 9 3.945 2.782 10.426 1.00 1.00 H new ATOM 125 N GLU A 10 2.024 3.438 5.826 1.00 1.00 N ATOM 126 CA GLU A 10 1.886 4.366 4.757 1.00 1.00 C ATOM 127 C GLU A 10 1.157 5.647 5.188 1.00 1.00 C ATOM 128 O GLU A 10 0.178 6.077 4.564 1.00 1.00 O ATOM 129 CB GLU A 10 1.165 3.810 3.509 1.00 1.00 C ATOM 130 CG GLU A 10 1.990 2.815 2.829 1.00 1.00 C ATOM 131 CD GLU A 10 1.149 2.023 1.820 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.516 2.650 0.988 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.155 0.808 1.900 1.00 1.00 O ATOM 0 H GLU A 10 2.967 3.068 5.946 1.00 1.00 H new ATOM 0 HA GLU A 10 2.918 4.584 4.483 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.216 3.362 3.802 1.00 1.00 H new ATOM 0 HB3 GLU A 10 0.934 4.626 2.824 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.816 3.307 2.316 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.428 2.135 3.560 1.00 1.00 H new ATOM 140 N ALA A 11 1.731 6.291 6.165 1.00 1.00 N ATOM 141 CA ALA A 11 1.304 7.485 6.569 1.00 1.00 C ATOM 142 C ALA A 11 2.364 8.005 7.449 1.00 1.00 C ATOM 143 O ALA A 11 2.577 7.480 8.537 1.00 1.00 O ATOM 144 CB ALA A 11 0.009 7.434 7.240 1.00 1.00 C ATOM 0 H ALA A 11 2.535 5.936 6.683 1.00 1.00 H new ATOM 0 HA ALA A 11 1.130 8.140 5.716 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.283 8.439 7.545 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.739 7.030 6.557 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.080 6.794 8.120 1.00 1.00 H new ATOM 150 N ASN A 12 2.958 9.011 7.030 1.00 1.00 N ATOM 151 CA ASN A 12 4.045 9.731 7.804 1.00 1.00 C ATOM 152 C ASN A 12 5.064 10.593 6.799 1.00 1.00 C ATOM 153 O ASN A 12 6.255 10.697 7.052 1.00 1.00 O ATOM 154 CB ASN A 12 4.832 8.694 8.680 1.00 1.00 C ATOM 155 CG ASN A 12 6.256 9.154 8.984 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.218 8.518 8.561 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.442 10.232 9.692 1.00 1.00 N ATOM 0 H ASN A 12 2.758 9.434 6.124 1.00 1.00 H new ATOM 0 HA ASN A 12 3.578 10.465 8.460 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.297 8.533 9.616 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.865 7.735 8.162 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.389 10.551 9.897 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.640 10.757 10.041 1.00 1.00 H new ATOM 164 N ASN A 13 4.501 11.265 5.732 1.00 1.00 N ATOM 165 CA ASN A 13 5.329 12.132 4.859 1.00 1.00 C ATOM 166 C ASN A 13 4.488 12.797 3.701 1.00 1.00 C ATOM 167 O ASN A 13 3.410 12.339 3.370 1.00 1.00 O ATOM 168 CB ASN A 13 6.475 11.341 4.238 1.00 1.00 C ATOM 169 CG ASN A 13 7.827 12.099 4.336 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.393 12.493 3.317 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.360 12.314 5.503 1.00 1.00 N ATOM 0 H ASN A 13 3.515 11.217 5.476 1.00 1.00 H new ATOM 0 HA ASN A 13 5.722 12.922 5.499 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.563 10.377 4.739 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.249 11.137 3.191 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.248 12.810 5.574 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.889 11.987 6.347 1.00 1.00 H new ATOM 178 N PRO A 14 5.040 13.874 3.074 1.00 1.00 N ATOM 179 CA PRO A 14 4.412 14.593 1.921 1.00 1.00 C ATOM 180 C PRO A 14 4.939 14.119 0.493 1.00 1.00 C ATOM 181 O PRO A 14 4.437 14.589 -0.530 1.00 1.00 O ATOM 182 CB PRO A 14 4.787 16.061 2.172 1.00 1.00 C ATOM 183 CG PRO A 14 5.806 15.993 3.288 1.00 1.00 C ATOM 184 CD PRO A 14 6.225 14.511 3.404 1.00 1.00 C ATOM 0 HA PRO A 14 3.340 14.401 1.880 1.00 1.00 H new ATOM 0 HB2 PRO A 14 5.204 16.525 1.278 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.917 16.651 2.461 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.667 16.624 3.067 1.00 1.00 H new ATOM 0 HG3 PRO A 14 5.380 16.351 4.225 1.00 1.00 H new ATOM 0 HD2 PRO A 14 7.034 14.257 2.720 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.565 14.256 4.408 1.00 1.00 H new ATOM 192 N GLY A 15 5.872 13.180 0.446 1.00 1.00 N ATOM 193 CA GLY A 15 6.371 12.633 -0.892 1.00 1.00 C ATOM 194 C GLY A 15 5.724 11.309 -1.067 1.00 1.00 C ATOM 195 O GLY A 15 6.183 10.433 -1.746 1.00 1.00 O ATOM 0 H GLY A 15 6.312 12.766 1.267 1.00 1.00 H new ATOM 0 HA2 GLY A 15 6.109 13.305 -1.709 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.457 12.538 -0.893 1.00 1.00 H new ATOM 199 N GLY A 16 4.647 11.226 -0.438 1.00 1.00 N ATOM 200 CA GLY A 16 3.842 10.049 -0.405 1.00 1.00 C ATOM 201 C GLY A 16 3.585 9.780 1.028 1.00 1.00 C ATOM 202 O GLY A 16 3.457 10.710 1.776 1.00 1.00 O ATOM 0 H GLY A 16 4.259 11.999 0.103 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.909 10.197 -0.949 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.355 9.210 -0.875 1.00 1.00 H new ATOM 206 N PRO A 17 3.503 8.546 1.490 1.00 1.00 N ATOM 207 CA PRO A 17 3.254 8.282 2.945 1.00 1.00 C ATOM 208 C PRO A 17 4.464 8.436 3.649 1.00 1.00 C ATOM 209 O PRO A 17 5.307 9.168 3.201 1.00 1.00 O ATOM 210 CB PRO A 17 2.857 6.784 2.882 1.00 1.00 C ATOM 211 CG PRO A 17 2.602 6.520 1.492 1.00 1.00 C ATOM 212 CD PRO A 17 3.589 7.333 0.785 1.00 1.00 C ATOM 0 HA PRO A 17 2.523 8.929 3.431 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.656 6.148 3.263 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.974 6.585 3.489 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.718 5.461 1.260 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.585 6.797 1.214 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.588 6.900 0.832 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.343 7.453 -0.270 1.00 1.00 H new ATOM 220 N ASN A 18 4.655 7.611 4.857 1.00 1.00 N ATOM 221 CA ASN A 18 5.954 7.614 5.578 1.00 1.00 C ATOM 222 C ASN A 18 7.022 7.690 4.536 1.00 1.00 C ATOM 223 O ASN A 18 8.208 7.803 4.838 1.00 1.00 O ATOM 224 CB ASN A 18 6.161 6.265 6.439 1.00 1.00 C ATOM 225 CG ASN A 18 4.854 5.481 6.546 1.00 1.00 C ATOM 226 OD1 ASN A 18 3.900 5.945 7.132 1.00 1.00 O ATOM 227 ND2 ASN A 18 4.776 4.289 6.009 1.00 1.00 N ATOM 0 H ASN A 18 3.940 7.008 5.263 1.00 1.00 H new ATOM 0 HA ASN A 18 5.987 8.455 6.271 1.00 1.00 H new ATOM 0 HB2 ASN A 18 6.925 5.644 5.971 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.521 6.517 7.436 1.00 1.00 H new ATOM 0 HD21 ASN A 18 3.912 3.751 6.084 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.579 3.898 5.516 1.00 1.00 H new ATOM 234 N ARG A 19 6.534 7.569 3.265 1.00 1.00 N ATOM 235 CA ARG A 19 7.251 7.574 2.151 1.00 1.00 C ATOM 236 C ARG A 19 7.631 6.336 2.023 1.00 1.00 C ATOM 237 O ARG A 19 8.651 5.970 2.528 1.00 1.00 O ATOM 238 CB ARG A 19 8.403 8.693 2.182 1.00 1.00 C ATOM 239 CG ARG A 19 7.979 9.861 1.238 1.00 1.00 C ATOM 240 CD ARG A 19 8.548 9.604 -0.233 1.00 1.00 C ATOM 241 NE ARG A 19 9.691 10.504 -0.514 1.00 1.00 N ATOM 242 CZ ARG A 19 9.875 11.046 -1.739 1.00 1.00 C ATOM 243 NH1 ARG A 19 9.031 10.784 -2.710 1.00 1.00 N ATOM 244 NH2 ARG A 19 10.895 11.830 -1.960 1.00 1.00 N ATOM 0 H ARG A 19 5.536 7.462 3.083 1.00 1.00 H new ATOM 0 HA ARG A 19 6.703 7.877 1.259 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.548 9.060 3.198 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.353 8.269 1.857 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.892 9.940 1.208 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.357 10.808 1.624 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.863 8.565 -0.331 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.760 9.768 -0.968 1.00 1.00 H new ATOM 0 HE ARG A 19 10.353 10.719 0.232 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.234 10.170 -2.541 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.172 11.194 -3.633 1.00 1.00 H new ATOM 0 HH21 ARG A 19 11.554 12.034 -1.208 1.00 1.00 H new ATOM 0 HH22 ARG A 19 11.033 12.239 -2.884 1.00 1.00 H new ATOM 258 N CYS A 20 6.591 5.442 1.227 1.00 1.00 N ATOM 259 CA CYS A 20 6.781 3.978 0.983 1.00 1.00 C ATOM 260 C CYS A 20 8.225 3.891 1.442 1.00 1.00 C ATOM 261 O CYS A 20 9.081 4.599 0.875 1.00 1.00 O ATOM 262 CB CYS A 20 6.467 3.654 -0.582 1.00 1.00 C ATOM 263 SG CYS A 20 6.488 1.750 -1.138 1.00 1.00 S ATOM 0 H CYS A 20 5.727 5.813 0.832 1.00 1.00 H new ATOM 0 HA CYS A 20 6.143 3.249 1.483 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.486 4.065 -0.821 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.195 4.191 -1.190 1.00 1.00 H new ATOM 268 N SER A 21 8.501 3.183 2.441 1.00 1.00 N ATOM 269 CA SER A 21 9.922 3.229 3.031 1.00 1.00 C ATOM 270 C SER A 21 10.578 1.884 3.414 1.00 1.00 C ATOM 271 O SER A 21 11.673 1.881 3.976 1.00 1.00 O ATOM 272 CB SER A 21 9.801 4.153 4.282 1.00 1.00 C ATOM 273 OG SER A 21 10.621 3.663 5.336 1.00 1.00 O ATOM 0 H SER A 21 7.849 2.558 2.915 1.00 1.00 H new ATOM 0 HA SER A 21 10.595 3.589 2.253 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.098 5.169 4.023 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.763 4.199 4.610 1.00 1.00 H new ATOM 0 HG SER A 21 11.459 3.317 4.965 1.00 1.00 H new ATOM 279 N ASN A 22 9.972 0.790 3.074 1.00 1.00 N ATOM 280 CA ASN A 22 10.568 -0.521 3.372 1.00 1.00 C ATOM 281 C ASN A 22 10.047 -1.525 2.469 1.00 1.00 C ATOM 282 O ASN A 22 9.047 -1.325 1.843 1.00 1.00 O ATOM 283 CB ASN A 22 10.216 -0.934 4.804 1.00 1.00 C ATOM 284 CG ASN A 22 11.054 -0.180 5.835 1.00 1.00 C ATOM 285 OD1 ASN A 22 11.885 -0.777 6.514 1.00 1.00 O ATOM 286 ND2 ASN A 22 10.871 1.092 6.001 1.00 1.00 N ATOM 0 H ASN A 22 9.073 0.754 2.594 1.00 1.00 H new ATOM 0 HA ASN A 22 11.649 -0.443 3.254 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.158 -0.745 4.987 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.373 -2.006 4.922 1.00 1.00 H new ATOM 0 HD21 ASN A 22 11.418 1.599 6.697 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.180 1.586 5.436 1.00 1.00 H new ATOM 293 N ASN A 23 10.673 -2.695 2.475 1.00 1.00 N ATOM 294 CA ASN A 23 10.161 -3.756 1.705 1.00 1.00 C ATOM 295 C ASN A 23 9.721 -3.277 0.307 1.00 1.00 C ATOM 296 O ASN A 23 8.574 -3.330 -0.008 1.00 1.00 O ATOM 297 CB ASN A 23 8.938 -4.364 2.551 1.00 1.00 C ATOM 298 CG ASN A 23 8.662 -3.571 3.877 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.277 -2.487 3.844 1.00 1.00 O ATOM 300 ND2 ASN A 23 8.818 -4.149 5.023 1.00 1.00 N ATOM 0 H ASN A 23 11.520 -2.905 3.004 1.00 1.00 H new ATOM 0 HA ASN A 23 10.919 -4.517 1.520 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.038 -4.358 1.936 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.152 -5.405 2.793 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.601 -3.645 5.882 1.00 1.00 H new ATOM 0 HD22 ASN A 23 9.158 -5.109 5.068 1.00 1.00 H new ATOM 307 N LYS A 24 10.680 -2.650 -0.449 1.00 1.00 N ATOM 308 CA LYS A 24 10.367 -1.982 -1.757 1.00 1.00 C ATOM 309 C LYS A 24 9.580 -0.721 -1.439 1.00 1.00 C ATOM 310 O LYS A 24 8.826 -0.212 -2.260 1.00 1.00 O ATOM 311 CB LYS A 24 9.618 -2.858 -2.750 1.00 1.00 C ATOM 312 CG LYS A 24 10.566 -3.710 -3.570 1.00 1.00 C ATOM 313 CD LYS A 24 9.750 -4.892 -4.237 1.00 1.00 C ATOM 314 CE LYS A 24 10.468 -5.414 -5.500 1.00 1.00 C ATOM 315 NZ LYS A 24 10.114 -4.562 -6.668 1.00 1.00 N ATOM 0 H LYS A 24 11.662 -2.594 -0.179 1.00 1.00 H new ATOM 0 HA LYS A 24 11.308 -1.758 -2.259 1.00 1.00 H new ATOM 0 HB2 LYS A 24 8.921 -3.502 -2.214 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.025 -2.230 -3.415 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.048 -3.105 -4.338 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.357 -4.110 -2.936 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.629 -5.705 -3.521 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.750 -4.546 -4.499 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.547 -5.406 -5.346 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.181 -6.448 -5.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.600 -4.917 -7.516 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.086 -4.591 -6.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.409 -3.582 -6.485 1.00 1.00 H new ATOM 329 N GLN A 25 9.822 -0.244 -0.172 1.00 1.00 N ATOM 330 CA GLN A 25 9.248 0.919 0.365 1.00 1.00 C ATOM 331 C GLN A 25 7.861 0.704 0.861 1.00 1.00 C ATOM 332 O GLN A 25 7.344 1.526 1.480 1.00 1.00 O ATOM 333 CB GLN A 25 9.368 2.099 -0.662 1.00 1.00 C ATOM 334 CG GLN A 25 10.756 2.770 -0.540 1.00 1.00 C ATOM 335 CD GLN A 25 11.749 2.175 -1.563 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.620 1.385 -1.195 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.661 2.510 -2.817 1.00 1.00 N ATOM 0 H GLN A 25 10.451 -0.715 0.479 1.00 1.00 H new ATOM 0 HA GLN A 25 9.812 1.198 1.255 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.224 1.725 -1.676 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.583 2.833 -0.478 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.661 3.844 -0.702 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.143 2.633 0.470 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.940 3.164 -3.121 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.313 2.119 -3.496 1.00 1.00 H new ATOM 346 N CYS A 26 7.243 -0.413 0.596 1.00 1.00 N ATOM 347 CA CYS A 26 5.839 -0.598 1.098 1.00 1.00 C ATOM 348 C CYS A 26 5.764 -1.596 2.339 1.00 1.00 C ATOM 349 O CYS A 26 6.530 -1.459 3.207 1.00 1.00 O ATOM 350 CB CYS A 26 4.947 -0.893 -0.165 1.00 1.00 C ATOM 351 SG CYS A 26 4.594 0.849 -0.967 1.00 1.00 S ATOM 0 H CYS A 26 7.632 -1.193 0.067 1.00 1.00 H new ATOM 0 HA CYS A 26 5.423 0.296 1.562 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.462 -1.551 -0.865 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.019 -1.391 0.117 1.00 1.00 H new ATOM 356 N ASP A 27 4.851 -2.542 2.325 1.00 1.00 N ATOM 357 CA ASP A 27 4.650 -3.521 3.303 1.00 1.00 C ATOM 358 C ASP A 27 3.406 -4.128 3.008 1.00 1.00 C ATOM 359 O ASP A 27 2.457 -3.472 2.583 1.00 1.00 O ATOM 360 CB ASP A 27 4.813 -3.071 4.759 1.00 1.00 C ATOM 361 CG ASP A 27 5.517 -4.138 5.610 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.246 -5.308 5.415 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.322 -3.760 6.446 1.00 1.00 O ATOM 0 H ASP A 27 4.189 -2.630 1.554 1.00 1.00 H new ATOM 0 HA ASP A 27 5.460 -4.248 3.249 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.386 -2.144 4.791 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.833 -2.855 5.185 1.00 1.00 H new ATOM 368 N GLY A 28 3.398 -5.428 3.113 1.00 1.00 N ATOM 369 CA GLY A 28 2.310 -6.202 2.752 1.00 1.00 C ATOM 370 C GLY A 28 2.769 -7.554 1.968 1.00 1.00 C ATOM 371 O GLY A 28 2.010 -8.131 1.309 1.00 1.00 O ATOM 0 H GLY A 28 4.188 -5.967 3.467 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.743 -6.472 3.643 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.644 -5.620 2.115 1.00 1.00 H new ATOM 375 N ALA A 29 4.029 -7.991 2.196 1.00 1.00 N ATOM 376 CA ALA A 29 4.606 -9.250 1.648 1.00 1.00 C ATOM 377 C ALA A 29 6.032 -9.098 1.178 1.00 1.00 C ATOM 378 O ALA A 29 6.747 -10.095 1.073 1.00 1.00 O ATOM 379 CB ALA A 29 3.690 -9.911 0.536 1.00 1.00 C ATOM 0 H ALA A 29 4.689 -7.472 2.776 1.00 1.00 H new ATOM 0 HA ALA A 29 4.633 -9.941 2.491 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.160 -10.825 0.173 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.715 -10.149 0.962 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.564 -9.214 -0.293 1.00 1.00 H new ATOM 385 N ARG A 30 6.459 -7.878 0.806 1.00 1.00 N ATOM 386 CA ARG A 30 7.882 -7.747 0.236 1.00 1.00 C ATOM 387 C ARG A 30 9.029 -8.543 1.162 1.00 1.00 C ATOM 388 O ARG A 30 8.768 -9.090 2.232 1.00 1.00 O ATOM 389 CB ARG A 30 8.331 -6.189 -0.163 1.00 1.00 C ATOM 390 CG ARG A 30 7.434 -5.647 -1.217 1.00 1.00 C ATOM 391 CD ARG A 30 6.359 -4.544 -0.752 1.00 1.00 C ATOM 392 NE ARG A 30 6.715 -3.248 -1.318 1.00 1.00 N ATOM 393 CZ ARG A 30 6.559 -2.962 -2.661 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.322 -3.938 -3.547 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.719 -1.705 -3.082 1.00 1.00 N ATOM 0 H ARG A 30 5.920 -7.014 0.867 1.00 1.00 H new ATOM 0 HA ARG A 30 7.842 -8.268 -0.721 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.289 -5.554 0.722 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.363 -6.179 -0.514 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.054 -5.210 -2.000 1.00 1.00 H new ATOM 0 HG3 ARG A 30 6.894 -6.480 -1.666 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.360 -4.834 -1.079 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.333 -4.483 0.336 1.00 1.00 H new ATOM 0 HE ARG A 30 7.092 -2.528 -0.702 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.255 -4.906 -3.233 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.209 -3.713 -4.535 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.953 -0.970 -2.415 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.607 -1.480 -4.071 1.00 1.00 H new ATOM 409 N THR A 31 10.192 -8.594 0.543 1.00 1.00 N ATOM 410 CA THR A 31 11.393 -9.256 0.929 1.00 1.00 C ATOM 411 C THR A 31 12.556 -8.448 0.666 1.00 1.00 C ATOM 412 O THR A 31 12.588 -7.928 -0.265 1.00 1.00 O ATOM 413 CB THR A 31 11.461 -10.419 -0.136 1.00 1.00 C ATOM 414 OG1 THR A 31 11.661 -9.953 -1.420 1.00 1.00 O ATOM 415 CG2 THR A 31 10.149 -11.177 -0.090 1.00 1.00 C ATOM 0 H THR A 31 10.317 -8.110 -0.346 1.00 1.00 H new ATOM 0 HA THR A 31 11.386 -9.526 1.985 1.00 1.00 H new ATOM 0 HB THR A 31 12.309 -11.057 0.114 1.00 1.00 H new ATOM 0 HG1 THR A 31 12.002 -10.680 -1.982 1.00 1.00 H new ATOM 0 HG21 THR A 31 10.171 -11.987 -0.819 1.00 1.00 H new ATOM 0 HG22 THR A 31 10.002 -11.590 0.908 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.329 -10.499 -0.326 1.00 1.00 H new ATOM 423 N CYS A 32 13.503 -8.284 1.508 1.00 1.00 N ATOM 424 CA CYS A 32 14.692 -7.297 1.062 1.00 1.00 C ATOM 425 C CYS A 32 15.659 -7.976 0.187 1.00 1.00 C ATOM 426 O CYS A 32 15.440 -9.071 -0.300 1.00 1.00 O ATOM 427 CB CYS A 32 15.386 -6.455 2.303 1.00 1.00 C ATOM 428 SG CYS A 32 16.608 -5.244 1.733 1.00 1.00 S ATOM 0 H CYS A 32 13.580 -8.714 2.430 1.00 1.00 H new ATOM 0 HA CYS A 32 14.224 -6.515 0.464 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.608 -5.941 2.867 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.866 -7.155 2.987 1.00 1.00 H new ATOM 433 N SER A 33 16.688 -7.342 0.030 1.00 1.00 N ATOM 434 CA SER A 33 17.822 -7.908 -0.841 1.00 1.00 C ATOM 435 C SER A 33 18.605 -8.850 -0.066 1.00 1.00 C ATOM 436 O SER A 33 19.544 -9.498 -0.535 1.00 1.00 O ATOM 437 CB SER A 33 18.583 -6.893 -1.492 1.00 1.00 C ATOM 438 OG SER A 33 19.749 -7.468 -2.090 1.00 1.00 O ATOM 0 H SER A 33 16.875 -6.428 0.442 1.00 1.00 H new ATOM 0 HA SER A 33 17.388 -8.463 -1.673 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.976 -6.404 -2.254 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.872 -6.126 -0.774 1.00 1.00 H new ATOM 0 HG SER A 33 19.741 -8.439 -1.955 1.00 1.00 H new ATOM 444 N SER A 34 18.141 -8.993 1.020 1.00 1.00 N ATOM 445 CA SER A 34 18.519 -9.877 1.994 1.00 1.00 C ATOM 446 C SER A 34 17.154 -10.646 2.420 1.00 1.00 C ATOM 447 O SER A 34 17.133 -11.337 3.436 1.00 1.00 O ATOM 448 CB SER A 34 19.073 -9.128 3.135 1.00 1.00 C ATOM 449 OG SER A 34 19.602 -10.037 4.096 1.00 1.00 O ATOM 0 H SER A 34 17.359 -8.415 1.329 1.00 1.00 H new ATOM 0 HA SER A 34 19.283 -10.579 1.659 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.855 -8.451 2.792 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.296 -8.514 3.591 1.00 1.00 H new ATOM 0 HG SER A 34 18.993 -10.799 4.196 1.00 1.00 H new ATOM 455 N SER A 35 15.971 -10.497 1.525 1.00 1.00 N ATOM 456 CA SER A 35 14.787 -11.097 1.738 1.00 1.00 C ATOM 457 C SER A 35 14.156 -10.548 2.878 1.00 1.00 C ATOM 458 O SER A 35 13.008 -10.862 3.195 1.00 1.00 O ATOM 459 CB SER A 35 14.936 -12.536 1.904 1.00 1.00 C ATOM 460 OG SER A 35 15.724 -13.061 0.839 1.00 1.00 O ATOM 0 H SER A 35 15.986 -9.922 0.683 1.00 1.00 H new ATOM 0 HA SER A 35 14.168 -10.920 0.859 1.00 1.00 H new ATOM 0 HB2 SER A 35 15.409 -12.755 2.862 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.957 -13.014 1.915 1.00 1.00 H new ATOM 0 HG SER A 35 15.825 -14.029 0.953 1.00 1.00 H new ATOM 466 N GLY A 36 14.910 -9.714 3.564 1.00 1.00 N ATOM 467 CA GLY A 36 14.438 -9.113 4.724 1.00 1.00 C ATOM 468 C GLY A 36 13.126 -8.585 4.455 1.00 1.00 C ATOM 469 O GLY A 36 12.132 -9.152 4.879 1.00 1.00 O ATOM 0 H GLY A 36 15.862 -9.455 3.306 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.397 -9.837 5.538 1.00 1.00 H new ATOM 0 HA3 GLY A 36 15.111 -8.316 5.040 1.00 1.00 H new ATOM 473 N PHE A 37 13.086 -7.518 3.751 1.00 1.00 N ATOM 474 CA PHE A 37 11.940 -6.934 3.436 1.00 1.00 C ATOM 475 C PHE A 37 12.255 -5.660 2.689 1.00 1.00 C ATOM 476 O PHE A 37 12.193 -4.597 3.285 1.00 1.00 O ATOM 477 CB PHE A 37 11.075 -6.608 4.762 1.00 1.00 C ATOM 478 CG PHE A 37 11.942 -5.971 5.893 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.623 -6.781 6.830 1.00 1.00 C ATOM 480 CD2 PHE A 37 12.042 -4.567 5.996 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.390 -6.185 7.840 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.810 -3.988 7.011 1.00 1.00 C ATOM 483 CZ PHE A 37 13.483 -4.791 7.926 1.00 1.00 C ATOM 0 H PHE A 37 13.913 -7.046 3.386 1.00 1.00 H new ATOM 0 HA PHE A 37 11.345 -7.602 2.813 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.262 -5.929 4.505 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.619 -7.527 5.131 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.552 -7.857 6.768 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.523 -3.937 5.288 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.912 -6.804 8.555 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.881 -2.913 7.085 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.079 -4.338 8.705 1.00 1.00 H new ATOM 493 N CYS A 38 12.657 -5.718 1.243 1.00 1.00 N ATOM 494 CA CYS A 38 12.974 -4.507 0.433 1.00 1.00 C ATOM 495 C CYS A 38 13.083 -4.856 -0.995 1.00 1.00 C ATOM 496 O CYS A 38 13.669 -4.151 -1.811 1.00 1.00 O ATOM 497 CB CYS A 38 14.225 -3.754 0.924 1.00 1.00 C ATOM 498 SG CYS A 38 15.715 -4.428 0.190 1.00 1.00 S ATOM 0 H CYS A 38 12.739 -6.591 0.722 1.00 1.00 H new ATOM 0 HA CYS A 38 12.142 -3.815 0.565 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.139 -2.697 0.673 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.289 -3.819 2.010 1.00 1.00 H new ATOM 503 N GLN A 39 12.549 -5.950 -1.246 1.00 1.00 N ATOM 504 CA GLN A 39 12.517 -6.581 -2.503 1.00 1.00 C ATOM 505 C GLN A 39 11.367 -7.564 -2.495 1.00 1.00 C ATOM 506 O GLN A 39 11.011 -8.015 -1.525 1.00 1.00 O ATOM 507 CB GLN A 39 13.945 -7.243 -2.706 1.00 1.00 C ATOM 508 CG GLN A 39 13.970 -8.742 -2.539 1.00 1.00 C ATOM 509 CD GLN A 39 13.167 -9.425 -3.655 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.762 -10.579 -3.513 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.915 -8.769 -4.763 1.00 1.00 N ATOM 0 H GLN A 39 12.074 -6.494 -0.526 1.00 1.00 H new ATOM 0 HA GLN A 39 12.340 -5.908 -3.342 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.308 -6.995 -3.704 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.641 -6.799 -1.994 1.00 1.00 H new ATOM 0 HG2 GLN A 39 15.000 -9.098 -2.555 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.555 -9.012 -1.568 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.252 -7.813 -4.878 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.382 -9.215 -5.510 1.00 1.00 H new ATOM 520 N GLY A 40 10.743 -7.805 -3.624 1.00 1.00 N ATOM 521 CA GLY A 40 9.573 -8.752 -3.639 1.00 1.00 C ATOM 522 C GLY A 40 8.208 -8.136 -4.053 1.00 1.00 C ATOM 523 O GLY A 40 8.042 -7.665 -5.178 1.00 1.00 O ATOM 0 H GLY A 40 10.986 -7.395 -4.526 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.802 -9.571 -4.321 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.468 -9.185 -2.644 1.00 1.00 H new ATOM 527 N THR A 41 7.184 -8.225 -3.106 1.00 1.00 N ATOM 528 CA THR A 41 5.771 -7.733 -3.424 1.00 1.00 C ATOM 529 C THR A 41 4.933 -7.175 -2.140 1.00 1.00 C ATOM 530 O THR A 41 5.044 -7.708 -1.063 1.00 1.00 O ATOM 531 CB THR A 41 5.022 -8.948 -4.029 1.00 1.00 C ATOM 532 OG1 THR A 41 4.281 -8.524 -5.162 1.00 1.00 O ATOM 533 CG2 THR A 41 4.078 -9.589 -3.015 1.00 1.00 C ATOM 0 H THR A 41 7.300 -8.610 -2.169 1.00 1.00 H new ATOM 0 HA THR A 41 5.852 -6.881 -4.099 1.00 1.00 H new ATOM 0 HB THR A 41 5.762 -9.694 -4.317 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.807 -9.290 -5.548 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.571 -10.437 -3.475 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.649 -9.932 -2.153 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.339 -8.856 -2.692 1.00 1.00 H new ATOM 541 N SER A 42 4.106 -6.169 -2.341 1.00 1.00 N ATOM 542 CA SER A 42 3.257 -5.628 -1.230 1.00 1.00 C ATOM 543 C SER A 42 1.909 -6.141 -1.373 1.00 1.00 C ATOM 544 O SER A 42 1.039 -5.427 -1.876 1.00 1.00 O ATOM 545 CB SER A 42 3.229 -3.990 -1.241 1.00 1.00 C ATOM 546 OG SER A 42 4.000 -3.498 -2.359 1.00 1.00 O ATOM 0 H SER A 42 3.984 -5.697 -3.237 1.00 1.00 H new ATOM 0 HA SER A 42 3.685 -5.948 -0.280 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.201 -3.635 -1.311 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.637 -3.603 -0.307 1.00 1.00 H new ATOM 0 HG SER A 42 4.047 -2.520 -2.319 1.00 1.00 H new ATOM 552 N ARG A 43 1.644 -7.427 -0.948 1.00 1.00 N ATOM 553 CA ARG A 43 0.295 -8.013 -1.078 1.00 1.00 C ATOM 554 C ARG A 43 -0.463 -7.402 -2.128 1.00 1.00 C ATOM 555 O ARG A 43 -1.546 -6.937 -1.909 1.00 1.00 O ATOM 556 CB ARG A 43 -0.457 -7.986 0.251 1.00 1.00 C ATOM 557 CG ARG A 43 -0.382 -6.523 0.960 1.00 1.00 C ATOM 558 CD ARG A 43 -1.663 -5.712 0.587 1.00 1.00 C ATOM 559 NE ARG A 43 -1.789 -4.608 1.517 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.925 -3.591 1.468 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.075 -3.511 0.478 1.00 1.00 N ATOM 562 NH2 ARG A 43 -0.942 -2.664 2.387 1.00 1.00 N ATOM 0 H ARG A 43 2.337 -8.046 -0.527 1.00 1.00 H new ATOM 0 HA ARG A 43 0.429 -9.058 -1.357 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.500 -8.256 0.084 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -0.037 -8.736 0.921 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.307 -6.632 2.042 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.510 -5.990 0.631 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.593 -5.341 -0.436 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.545 -6.351 0.635 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.538 -4.608 2.209 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -0.074 -4.223 -0.252 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.587 -2.736 0.436 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.618 -2.714 3.149 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.279 -1.890 2.343 1.00 1.00 H new ATOM 576 N LYS A 44 0.110 -7.492 -3.402 1.00 1.00 N ATOM 577 CA LYS A 44 -0.605 -6.975 -4.579 1.00 1.00 C ATOM 578 C LYS A 44 -1.900 -7.285 -4.391 1.00 1.00 C ATOM 579 O LYS A 44 -2.223 -8.358 -4.611 1.00 1.00 O ATOM 580 CB LYS A 44 -0.117 -7.591 -5.902 1.00 1.00 C ATOM 581 CG LYS A 44 -1.054 -7.070 -7.048 1.00 1.00 C ATOM 582 CD LYS A 44 -0.375 -7.281 -8.437 1.00 1.00 C ATOM 583 CE LYS A 44 -1.454 -7.389 -9.556 1.00 1.00 C ATOM 584 NZ LYS A 44 -0.837 -7.958 -10.798 1.00 1.00 N ATOM 0 H LYS A 44 1.022 -7.903 -3.599 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.431 -5.903 -4.667 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.918 -7.308 -6.096 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.146 -8.679 -5.850 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.007 -7.598 -7.017 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.271 -6.012 -6.898 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.298 -6.450 -8.650 1.00 1.00 H new ATOM 0 HD3 LYS A 44 0.232 -8.186 -8.419 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.275 -8.023 -9.223 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.875 -6.406 -9.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.559 -8.029 -11.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.068 -7.336 -11.120 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -0.456 -8.904 -10.594 1.00 1.00 H new ATOM 598 N PRO A 45 -2.791 -6.301 -3.843 1.00 1.00 N ATOM 599 CA PRO A 45 -4.217 -6.600 -3.551 1.00 1.00 C ATOM 600 C PRO A 45 -4.722 -7.383 -4.618 1.00 1.00 C ATOM 601 O PRO A 45 -5.553 -6.979 -5.432 1.00 1.00 O ATOM 602 CB PRO A 45 -4.832 -5.276 -3.402 1.00 1.00 C ATOM 603 CG PRO A 45 -3.739 -4.490 -2.788 1.00 1.00 C ATOM 604 CD PRO A 45 -2.489 -4.926 -3.502 1.00 1.00 C ATOM 0 HA PRO A 45 -4.412 -7.184 -2.652 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.143 -4.861 -4.361 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.717 -5.308 -2.767 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.908 -3.420 -2.908 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.669 -4.683 -1.718 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.295 -4.321 -4.387 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.609 -4.849 -2.864 1.00 1.00 H new ATOM 612 N ASP A 46 -4.098 -8.492 -4.675 1.00 1.00 N ATOM 613 CA ASP A 46 -4.267 -9.421 -5.669 1.00 1.00 C ATOM 614 C ASP A 46 -5.704 -9.954 -5.716 1.00 1.00 C ATOM 615 O ASP A 46 -6.377 -9.971 -4.693 1.00 1.00 O ATOM 616 CB ASP A 46 -3.204 -10.642 -5.454 1.00 1.00 C ATOM 617 CG ASP A 46 -3.609 -11.871 -6.240 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.718 -12.336 -6.048 1.00 1.00 O ATOM 619 OD2 ASP A 46 -2.800 -12.339 -7.023 1.00 1.00 O ATOM 0 H ASP A 46 -3.415 -8.775 -3.973 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.078 -8.937 -6.627 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.210 -10.320 -5.765 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -3.142 -10.890 -4.394 1.00 1.00 H new ATOM 624 N PRO A 47 -6.204 -10.420 -6.904 1.00 1.00 N ATOM 625 CA PRO A 47 -7.588 -10.984 -7.006 1.00 1.00 C ATOM 626 C PRO A 47 -7.773 -12.235 -6.093 1.00 1.00 C ATOM 627 O PRO A 47 -8.197 -13.296 -6.549 1.00 1.00 O ATOM 628 CB PRO A 47 -7.736 -11.359 -8.513 1.00 1.00 C ATOM 629 CG PRO A 47 -6.670 -10.572 -9.227 1.00 1.00 C ATOM 630 CD PRO A 47 -5.517 -10.432 -8.244 1.00 1.00 C ATOM 0 HA PRO A 47 -8.345 -10.274 -6.673 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.603 -12.430 -8.666 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.728 -11.105 -8.886 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.349 -11.085 -10.134 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.045 -9.594 -9.530 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.814 -11.261 -8.328 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -4.952 -9.516 -8.415 1.00 1.00 H new ATOM 638 N GLY A 48 -7.465 -12.064 -4.810 1.00 1.00 N ATOM 639 CA GLY A 48 -7.603 -13.126 -3.817 1.00 1.00 C ATOM 640 C GLY A 48 -8.167 -12.507 -2.594 1.00 1.00 C ATOM 641 O GLY A 48 -9.369 -12.583 -2.352 1.00 1.00 O ATOM 0 H GLY A 48 -7.113 -11.186 -4.429 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.257 -13.916 -4.186 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.637 -13.585 -3.606 1.00 1.00 H new ATOM 645 N PRO A 49 -7.350 -11.813 -1.834 1.00 1.00 N ATOM 646 CA PRO A 49 -7.823 -11.110 -0.683 1.00 1.00 C ATOM 647 C PRO A 49 -8.938 -10.136 -1.096 1.00 1.00 C ATOM 648 O PRO A 49 -10.118 -10.449 -0.945 1.00 1.00 O ATOM 649 CB PRO A 49 -6.557 -10.349 -0.111 1.00 1.00 C ATOM 650 CG PRO A 49 -5.484 -10.488 -1.153 1.00 1.00 C ATOM 651 CD PRO A 49 -5.890 -11.666 -2.029 1.00 1.00 C ATOM 0 HA PRO A 49 -8.252 -11.769 0.072 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.785 -9.300 0.077 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.238 -10.781 0.838 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.395 -9.576 -1.744 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.513 -10.664 -0.690 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.650 -11.479 -3.076 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.361 -12.573 -1.738 1.00 1.00 H new ATOM 659 N LYS A 50 -8.531 -8.926 -1.542 1.00 1.00 N ATOM 660 CA LYS A 50 -9.452 -7.786 -1.935 1.00 1.00 C ATOM 661 C LYS A 50 -10.067 -7.145 -0.685 1.00 1.00 C ATOM 662 O LYS A 50 -11.240 -6.766 -0.689 1.00 1.00 O ATOM 663 CB LYS A 50 -10.621 -8.342 -2.900 1.00 1.00 C ATOM 664 CG LYS A 50 -10.270 -8.046 -4.479 1.00 1.00 C ATOM 665 CD LYS A 50 -10.817 -6.591 -4.921 1.00 1.00 C ATOM 666 CE LYS A 50 -10.286 -5.460 -3.952 1.00 1.00 C ATOM 667 NZ LYS A 50 -8.796 -5.379 -4.047 1.00 1.00 N ATOM 0 H LYS A 50 -7.544 -8.690 -1.648 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.874 -7.030 -2.467 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.746 -9.414 -2.746 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.568 -7.870 -2.639 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.192 -8.097 -4.633 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.719 -8.815 -5.107 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -10.501 -6.376 -5.942 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -11.907 -6.593 -4.918 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -10.730 -4.501 -4.218 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.584 -5.676 -2.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.416 -4.950 -3.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.403 -6.335 -4.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -8.532 -4.796 -4.867 1.00 1.00 H new ATOM 681 N GLY A 51 -9.300 -7.076 0.428 1.00 1.00 N ATOM 682 CA GLY A 51 -9.765 -6.607 1.559 1.00 1.00 C ATOM 683 C GLY A 51 -8.968 -7.179 2.578 1.00 1.00 C ATOM 684 O GLY A 51 -8.299 -6.536 3.151 1.00 1.00 O ATOM 0 H GLY A 51 -8.326 -7.377 0.467 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.707 -5.519 1.583 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.814 -6.873 1.689 1.00 1.00 H new ATOM 688 N PRO A 52 -9.014 -8.484 2.784 1.00 1.00 N ATOM 689 CA PRO A 52 -8.138 -9.187 3.818 1.00 1.00 C ATOM 690 C PRO A 52 -6.657 -8.649 3.818 1.00 1.00 C ATOM 691 O PRO A 52 -5.751 -9.334 4.109 1.00 1.00 O ATOM 692 CB PRO A 52 -8.184 -10.629 3.378 1.00 1.00 C ATOM 693 CG PRO A 52 -9.533 -10.790 2.727 1.00 1.00 C ATOM 694 CD PRO A 52 -9.888 -9.410 2.105 1.00 1.00 C ATOM 0 HA PRO A 52 -8.491 -9.025 4.837 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.378 -10.855 2.680 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -8.071 -11.305 4.226 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.505 -11.565 1.961 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.283 -11.091 3.458 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.718 -9.402 1.028 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.937 -9.159 2.264 1.00 1.00 H new ATOM 702 N THR A 53 -6.539 -7.431 3.523 1.00 1.00 N ATOM 703 CA THR A 53 -5.330 -6.700 3.501 1.00 1.00 C ATOM 704 C THR A 53 -5.807 -5.260 3.735 1.00 1.00 C ATOM 705 O THR A 53 -6.960 -5.038 3.637 1.00 1.00 O ATOM 706 CB THR A 53 -4.564 -6.849 2.219 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.444 -5.657 1.655 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.269 -7.793 1.252 1.00 1.00 C ATOM 0 H THR A 53 -7.344 -6.859 3.267 1.00 1.00 H new ATOM 0 HA THR A 53 -4.617 -7.050 4.247 1.00 1.00 H new ATOM 0 HB THR A 53 -3.585 -7.271 2.448 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.562 -5.740 0.686 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.686 -7.877 0.335 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.367 -8.777 1.711 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.259 -7.401 1.018 1.00 1.00 H new ATOM 716 N TYR A 54 -5.029 -4.346 4.057 1.00 1.00 N ATOM 717 CA TYR A 54 -5.656 -2.934 4.379 1.00 1.00 C ATOM 718 C TYR A 54 -4.692 -1.991 5.155 1.00 1.00 C ATOM 719 O TYR A 54 -4.109 -2.408 6.154 1.00 1.00 O ATOM 720 CB TYR A 54 -6.915 -3.203 5.327 1.00 1.00 C ATOM 721 CG TYR A 54 -7.009 -2.191 6.554 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.225 -2.405 7.707 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.881 -1.083 6.506 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.313 -1.519 8.794 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.962 -0.202 7.596 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.181 -0.419 8.736 1.00 1.00 C ATOM 727 OH TYR A 54 -7.266 0.452 9.808 1.00 1.00 O ATOM 0 H TYR A 54 -4.015 -4.420 4.134 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.900 -2.448 3.434 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.828 -3.132 4.736 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.862 -4.222 5.709 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.556 -3.251 7.754 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.488 -0.912 5.629 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.711 -1.685 9.675 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.629 0.646 7.554 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.913 1.160 9.604 1.00 1.00 H new ATOM 737 N CYS A 55 -4.528 -0.595 4.674 1.00 1.00 N ATOM 738 CA CYS A 55 -3.594 0.350 5.475 1.00 1.00 C ATOM 739 C CYS A 55 -4.072 1.822 5.798 1.00 1.00 C ATOM 740 O CYS A 55 -3.764 2.395 6.843 1.00 1.00 O ATOM 741 CB CYS A 55 -2.257 0.431 4.760 1.00 1.00 C ATOM 742 SG CYS A 55 -0.920 0.312 6.049 1.00 1.00 S ATOM 0 H CYS A 55 -4.978 -0.190 3.853 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.564 -0.121 6.458 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -2.162 -0.376 4.034 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -2.174 1.367 4.208 1.00 1.00 H new ATOM 747 N TRP A 56 -4.765 2.375 4.825 1.00 1.00 N ATOM 748 CA TRP A 56 -5.256 3.678 4.826 1.00 1.00 C ATOM 749 C TRP A 56 -6.806 3.747 4.890 1.00 1.00 C ATOM 750 O TRP A 56 -7.423 3.094 5.736 1.00 1.00 O ATOM 751 CB TRP A 56 -4.835 4.284 3.470 1.00 1.00 C ATOM 752 CG TRP A 56 -5.009 5.778 3.488 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.371 6.443 2.449 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.827 6.793 4.606 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.412 7.738 2.736 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.099 8.006 4.082 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.446 6.744 6.012 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.027 9.191 4.847 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.379 7.920 6.764 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.672 9.136 6.179 1.00 1.00 C ATOM 0 H TRP A 56 -4.999 1.868 3.971 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.867 4.199 5.701 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.795 4.035 3.260 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.434 3.851 2.669 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.606 6.012 1.487 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.645 8.461 2.055 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.215 5.796 6.474 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.250 10.143 4.388 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.097 7.878 7.806 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.623 10.043 6.763 1.00 1.00 H new ATOM 771 N ASP A 57 -7.477 4.536 3.830 1.00 1.00 N ATOM 772 CA ASP A 57 -8.874 4.617 3.699 1.00 1.00 C ATOM 773 C ASP A 57 -9.295 5.910 2.918 1.00 1.00 C ATOM 774 O ASP A 57 -10.455 6.293 2.994 1.00 1.00 O ATOM 775 CB ASP A 57 -9.519 4.641 5.061 1.00 1.00 C ATOM 776 CG ASP A 57 -10.126 3.273 5.421 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.532 2.269 5.059 1.00 1.00 O ATOM 778 OD2 ASP A 57 -11.173 3.259 6.047 1.00 1.00 O ATOM 0 H ASP A 57 -6.968 5.071 3.127 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.207 3.742 3.141 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.779 4.921 5.811 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.298 5.403 5.083 1.00 1.00 H new ATOM 783 N GLU A 58 -8.353 6.605 2.216 1.00 1.00 N ATOM 784 CA GLU A 58 -8.711 7.796 1.596 1.00 1.00 C ATOM 785 C GLU A 58 -7.568 8.424 1.010 1.00 1.00 C ATOM 786 O GLU A 58 -7.043 9.313 1.625 1.00 1.00 O ATOM 787 CB GLU A 58 -9.222 8.755 2.753 1.00 1.00 C ATOM 788 CG GLU A 58 -8.201 8.705 3.907 1.00 1.00 C ATOM 789 CD GLU A 58 -8.773 9.388 5.143 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.932 10.598 5.105 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.044 8.693 6.108 1.00 1.00 O ATOM 0 H GLU A 58 -7.380 6.323 2.100 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.455 7.607 0.822 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.327 9.775 2.383 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.205 8.439 3.102 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.951 7.669 4.137 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.276 9.197 3.606 1.00 1.00 H new ATOM 798 N ALA A 59 -7.086 8.110 -0.204 1.00 1.00 N ATOM 799 CA ALA A 59 -5.931 8.926 -0.704 1.00 1.00 C ATOM 800 C ALA A 59 -6.059 9.235 -2.279 1.00 1.00 C ATOM 801 O ALA A 59 -5.108 9.549 -2.877 1.00 1.00 O ATOM 802 CB ALA A 59 -4.782 8.136 -0.556 1.00 1.00 C ATOM 0 H ALA A 59 -7.427 7.372 -0.820 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.900 9.865 -0.151 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.912 8.690 -0.908 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.649 7.881 0.495 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.891 7.222 -1.140 1.00 1.00 H new ATOM 808 N LYS A 60 -7.267 8.860 -2.957 1.00 1.00 N ATOM 809 CA LYS A 60 -7.318 8.863 -4.334 1.00 1.00 C ATOM 810 C LYS A 60 -7.188 10.132 -4.902 1.00 1.00 C ATOM 811 O LYS A 60 -6.551 10.351 -5.884 1.00 1.00 O ATOM 812 CB LYS A 60 -8.730 8.250 -4.813 1.00 1.00 C ATOM 813 CG LYS A 60 -9.251 7.302 -3.717 1.00 1.00 C ATOM 814 CD LYS A 60 -10.429 6.397 -4.248 1.00 1.00 C ATOM 815 CE LYS A 60 -11.794 7.148 -4.067 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.329 6.869 -2.702 1.00 1.00 N ATOM 0 H LYS A 60 -8.130 8.579 -2.492 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.471 8.265 -4.670 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.448 9.050 -4.994 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.609 7.712 -5.753 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.436 6.670 -3.363 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.595 7.886 -2.863 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.271 6.157 -5.300 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.448 5.452 -3.705 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.654 8.220 -4.204 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.506 6.820 -4.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.235 7.365 -2.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.476 5.846 -2.589 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.650 7.202 -1.988 1.00 1.00 H new ATOM 830 N ASN A 61 -8.069 10.983 -4.333 1.00 1.00 N ATOM 831 CA ASN A 61 -8.284 12.273 -4.900 1.00 1.00 C ATOM 832 C ASN A 61 -7.048 12.908 -5.232 1.00 1.00 C ATOM 833 O ASN A 61 -6.017 12.611 -4.649 1.00 1.00 O ATOM 834 CB ASN A 61 -9.223 13.227 -4.057 1.00 1.00 C ATOM 835 CG ASN A 61 -10.492 13.617 -4.845 1.00 1.00 C ATOM 836 OD1 ASN A 61 -10.717 14.795 -5.116 1.00 1.00 O ATOM 837 ND2 ASN A 61 -11.326 12.686 -5.222 1.00 1.00 N ATOM 0 H ASN A 61 -8.619 10.779 -3.498 1.00 1.00 H new ATOM 0 HA ASN A 61 -8.840 12.085 -5.819 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -9.508 12.731 -3.129 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -8.674 14.127 -3.781 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -12.167 12.935 -5.743 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -11.137 11.710 -4.996 1.00 1.00 H new ATOM 844 N PRO A 62 -7.071 13.757 -6.221 1.00 1.00 N ATOM 845 CA PRO A 62 -5.919 14.397 -6.694 1.00 1.00 C ATOM 846 C PRO A 62 -5.584 15.662 -6.006 1.00 1.00 C ATOM 847 O PRO A 62 -4.659 16.341 -6.451 1.00 1.00 O ATOM 848 CB PRO A 62 -6.269 14.657 -8.219 1.00 1.00 C ATOM 849 CG PRO A 62 -7.658 14.152 -8.372 1.00 1.00 C ATOM 850 CD PRO A 62 -8.215 14.206 -7.011 1.00 1.00 C ATOM 0 HA PRO A 62 -5.032 13.787 -6.522 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -6.202 15.716 -8.467 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -5.580 14.131 -8.880 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -8.232 14.770 -9.062 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -7.671 13.136 -8.767 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -8.536 15.211 -6.737 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -9.079 13.552 -6.893 1.00 1.00 H new ATOM 858 N GLY A 63 -6.279 16.075 -4.919 1.00 1.00 N ATOM 859 CA GLY A 63 -5.931 17.310 -4.290 1.00 1.00 C ATOM 860 C GLY A 63 -6.756 17.430 -2.994 1.00 1.00 C ATOM 861 O GLY A 63 -7.480 18.405 -2.790 1.00 1.00 O ATOM 0 H GLY A 63 -7.055 15.569 -4.492 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -4.864 17.338 -4.067 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -6.140 18.149 -4.954 1.00 1.00 H new ATOM 865 N GLY A 64 -6.636 16.387 -2.114 1.00 1.00 N ATOM 866 CA GLY A 64 -7.381 16.379 -0.854 1.00 1.00 C ATOM 867 C GLY A 64 -6.990 15.211 0.102 1.00 1.00 C ATOM 868 O GLY A 64 -6.294 15.447 1.088 1.00 1.00 O ATOM 0 H GLY A 64 -6.043 15.571 -2.265 1.00 1.00 H new ATOM 0 HA2 GLY A 64 -7.218 17.326 -0.340 1.00 1.00 H new ATOM 0 HA3 GLY A 64 -8.447 16.315 -1.073 1.00 1.00 H new ATOM 872 N PRO A 65 -7.429 13.950 -0.146 1.00 1.00 N ATOM 873 CA PRO A 65 -7.102 12.855 0.726 1.00 1.00 C ATOM 874 C PRO A 65 -5.654 12.655 0.786 1.00 1.00 C ATOM 875 O PRO A 65 -4.921 13.469 0.338 1.00 1.00 O ATOM 876 CB PRO A 65 -7.865 11.621 0.106 1.00 1.00 C ATOM 877 CG PRO A 65 -8.899 12.253 -0.650 1.00 1.00 C ATOM 878 CD PRO A 65 -8.213 13.504 -1.218 1.00 1.00 C ATOM 0 HA PRO A 65 -7.403 13.024 1.760 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.214 11.014 -0.523 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.268 10.963 0.876 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.271 11.604 -1.443 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.753 12.512 -0.024 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.605 13.269 -2.092 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.938 14.256 -1.527 1.00 1.00 H new ATOM 886 N ASN A 66 -5.237 11.647 1.437 1.00 1.00 N ATOM 887 CA ASN A 66 -3.724 11.450 1.626 1.00 1.00 C ATOM 888 C ASN A 66 -3.017 11.719 0.334 1.00 1.00 C ATOM 889 O ASN A 66 -1.821 11.984 0.306 1.00 1.00 O ATOM 890 CB ASN A 66 -3.357 10.030 2.143 1.00 1.00 C ATOM 891 CG ASN A 66 -2.382 10.110 3.344 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.479 9.316 4.280 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.449 11.023 3.353 1.00 1.00 N ATOM 0 H ASN A 66 -5.830 10.933 1.860 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.402 12.158 2.390 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.263 9.502 2.440 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.902 9.453 1.338 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -0.798 11.080 4.137 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.371 11.680 2.576 1.00 1.00 H new ATOM 900 N ARG A 67 -3.814 11.631 -0.728 1.00 1.00 N ATOM 901 CA ARG A 67 -3.403 11.856 -2.093 1.00 1.00 C ATOM 902 C ARG A 67 -2.642 10.720 -2.636 1.00 1.00 C ATOM 903 O ARG A 67 -1.605 10.372 -2.134 1.00 1.00 O ATOM 904 CB ARG A 67 -2.545 13.169 -2.220 1.00 1.00 C ATOM 905 CG ARG A 67 -3.462 14.381 -2.227 1.00 1.00 C ATOM 906 CD ARG A 67 -3.934 14.678 -3.657 1.00 1.00 C ATOM 907 NE ARG A 67 -2.961 15.592 -4.413 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.509 16.814 -3.922 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.947 17.297 -2.783 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.667 17.520 -4.634 1.00 1.00 N ATOM 0 H ARG A 67 -4.802 11.391 -0.647 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.317 11.966 -2.676 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.842 13.237 -1.390 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.955 13.142 -3.136 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.322 14.200 -1.582 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -2.937 15.246 -1.822 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -4.047 13.741 -4.202 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.917 15.147 -3.623 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.626 15.287 -5.327 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.633 16.775 -2.238 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.601 18.194 -2.443 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -1.349 17.173 -5.539 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -1.330 18.417 -4.284 1.00 1.00 H new ATOM 924 N CYS A 68 -3.134 10.197 -3.701 1.00 1.00 N ATOM 925 CA CYS A 68 -2.498 9.151 -4.410 1.00 1.00 C ATOM 926 C CYS A 68 -3.070 9.159 -5.653 1.00 1.00 C ATOM 927 O CYS A 68 -2.632 9.917 -6.522 1.00 1.00 O ATOM 928 CB CYS A 68 -2.542 7.720 -3.622 1.00 1.00 C ATOM 929 SG CYS A 68 -4.140 6.845 -3.530 1.00 1.00 S ATOM 0 H CYS A 68 -4.017 10.496 -4.114 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.423 9.308 -4.500 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.823 7.054 -4.098 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.194 7.889 -2.603 1.00 1.00 H new ATOM 934 N SER A 69 -3.990 8.396 -5.823 1.00 1.00 N ATOM 935 CA SER A 69 -4.690 8.296 -7.032 1.00 1.00 C ATOM 936 C SER A 69 -4.097 7.272 -7.944 1.00 1.00 C ATOM 937 O SER A 69 -4.802 6.702 -8.780 1.00 1.00 O ATOM 938 CB SER A 69 -4.769 9.672 -7.822 1.00 1.00 C ATOM 939 OG SER A 69 -3.681 9.743 -8.742 1.00 1.00 O ATOM 0 H SER A 69 -4.331 7.763 -5.099 1.00 1.00 H new ATOM 0 HA SER A 69 -5.697 7.996 -6.741 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.717 9.747 -8.354 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.728 10.509 -7.125 1.00 1.00 H new ATOM 0 HG SER A 69 -2.834 9.679 -8.253 1.00 1.00 H new ATOM 945 N ASN A 70 -2.744 7.123 -7.901 1.00 1.00 N ATOM 946 CA ASN A 70 -2.058 6.246 -8.890 1.00 1.00 C ATOM 947 C ASN A 70 -1.478 5.107 -8.317 1.00 1.00 C ATOM 948 O ASN A 70 -1.430 4.073 -8.950 1.00 1.00 O ATOM 949 CB ASN A 70 -0.954 7.056 -9.592 1.00 1.00 C ATOM 950 CG ASN A 70 -1.509 8.392 -10.059 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.189 9.430 -9.487 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.332 8.428 -11.070 1.00 1.00 N ATOM 0 H ASN A 70 -2.130 7.576 -7.224 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.820 5.903 -9.590 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.120 7.218 -8.909 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.566 6.496 -10.443 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.711 9.320 -11.387 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.596 7.564 -11.544 1.00 1.00 H new ATOM 959 N SER A 71 -1.022 5.248 -7.103 1.00 1.00 N ATOM 960 CA SER A 71 -0.374 4.089 -6.357 1.00 1.00 C ATOM 961 C SER A 71 0.672 4.530 -5.209 1.00 1.00 C ATOM 962 O SER A 71 1.768 3.979 -5.152 1.00 1.00 O ATOM 963 CB SER A 71 0.379 3.200 -7.390 1.00 1.00 C ATOM 964 OG SER A 71 1.460 2.506 -6.787 1.00 1.00 O ATOM 0 H SER A 71 -1.063 6.120 -6.575 1.00 1.00 H new ATOM 0 HA SER A 71 -1.181 3.559 -5.851 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.315 2.484 -7.830 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.753 3.822 -8.203 1.00 1.00 H new ATOM 0 HG SER A 71 2.133 3.150 -6.482 1.00 1.00 H new ATOM 970 N LYS A 72 0.407 5.603 -4.421 1.00 1.00 N ATOM 971 CA LYS A 72 1.486 6.098 -3.483 1.00 1.00 C ATOM 972 C LYS A 72 1.080 6.573 -2.230 1.00 1.00 C ATOM 973 O LYS A 72 1.675 7.486 -1.691 1.00 1.00 O ATOM 974 CB LYS A 72 2.123 7.400 -4.246 1.00 1.00 C ATOM 975 CG LYS A 72 1.081 8.534 -4.440 1.00 1.00 C ATOM 976 CD LYS A 72 1.749 9.914 -4.124 1.00 1.00 C ATOM 977 CE LYS A 72 0.759 11.046 -4.348 1.00 1.00 C ATOM 978 NZ LYS A 72 1.492 12.338 -4.354 1.00 1.00 N ATOM 0 H LYS A 72 -0.472 6.120 -4.400 1.00 1.00 H new ATOM 0 HA LYS A 72 2.135 5.246 -3.281 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.967 7.779 -3.670 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.511 7.095 -5.218 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.704 8.526 -5.463 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.226 8.373 -3.784 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.099 9.928 -3.092 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.623 10.056 -4.759 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.235 10.906 -5.294 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.003 11.046 -3.562 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.821 13.117 -4.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 1.972 12.469 -3.441 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.197 12.334 -5.119 1.00 1.00 H new ATOM 992 N GLN A 73 0.121 6.117 -1.822 1.00 1.00 N ATOM 993 CA GLN A 73 -0.502 6.591 -0.599 1.00 1.00 C ATOM 994 C GLN A 73 -1.920 6.088 -0.561 1.00 1.00 C ATOM 995 O GLN A 73 -2.742 6.789 -0.217 1.00 1.00 O ATOM 996 CB GLN A 73 -0.590 8.293 -0.636 1.00 1.00 C ATOM 997 CG GLN A 73 0.229 8.934 0.459 1.00 1.00 C ATOM 998 CD GLN A 73 -0.242 8.448 1.839 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.063 7.536 1.934 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.221 9.020 2.915 1.00 1.00 N ATOM 0 H GLN A 73 -0.376 5.349 -2.273 1.00 1.00 H new ATOM 0 HA GLN A 73 0.075 6.246 0.259 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.241 8.651 -1.604 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.630 8.603 -0.537 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.283 8.692 0.322 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.141 10.019 0.399 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.901 9.776 2.838 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.097 8.712 3.834 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.179 4.844 -0.869 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.659 4.341 -0.780 1.00 1.00 C ATOM 1011 C CYS A 74 -3.724 3.365 0.337 1.00 1.00 C ATOM 1012 O CYS A 74 -2.957 3.562 1.267 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.088 3.848 -2.190 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.406 4.955 -3.549 1.00 1.00 S ATOM 0 H CYS A 74 -1.492 4.153 -1.169 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.393 5.108 -0.531 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.737 2.827 -2.341 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.176 3.823 -2.252 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.725 2.310 0.410 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.769 1.475 1.764 1.00 1.00 C ATOM 1021 C ASP A 75 -4.019 0.186 1.743 1.00 1.00 C ATOM 1022 O ASP A 75 -2.789 0.196 1.857 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.313 1.434 2.216 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.519 0.650 3.397 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.390 -0.445 3.299 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.832 1.208 4.420 1.00 1.00 O ATOM 0 H ASP A 75 -5.396 2.054 -0.314 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.193 1.965 2.549 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.663 2.451 2.393 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.915 1.027 1.404 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.691 -0.915 1.649 1.00 1.00 N ATOM 1032 CA GLY A 76 -3.988 -2.212 1.677 1.00 1.00 C ATOM 1033 C GLY A 76 -4.565 -3.277 0.792 1.00 1.00 C ATOM 1034 O GLY A 76 -3.848 -4.141 0.392 1.00 1.00 O ATOM 0 H GLY A 76 -5.705 -0.972 1.553 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.949 -2.049 1.390 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.982 -2.580 2.703 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.835 -3.198 0.443 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.444 -4.209 -0.434 1.00 1.00 C ATOM 1040 C ALA A 77 -7.117 -3.553 -1.639 1.00 1.00 C ATOM 1041 O ALA A 77 -8.194 -3.981 -2.061 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.540 -4.899 0.341 1.00 1.00 C ATOM 0 H ALA A 77 -6.468 -2.457 0.744 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.664 -4.893 -0.767 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.009 -5.656 -0.288 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.116 -5.374 1.226 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.287 -4.166 0.646 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.556 -2.475 -2.096 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.130 -1.688 -3.119 1.00 1.00 C ATOM 1050 C ARG A 78 -6.318 -1.743 -4.331 1.00 1.00 C ATOM 1051 O ARG A 78 -5.280 -2.331 -4.317 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.216 -0.336 -2.599 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.117 -0.350 -1.347 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.416 1.026 -0.975 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.299 1.649 -1.968 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.616 1.485 -1.924 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.152 0.743 -0.996 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.374 2.068 -2.814 1.00 1.00 N ATOM 0 H ARG A 78 -5.664 -2.118 -1.752 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.118 -2.056 -3.395 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.223 0.037 -2.347 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.626 0.335 -3.354 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.038 -0.896 -1.550 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.616 -0.864 -0.526 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.890 1.048 0.006 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.490 1.596 -0.895 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.892 2.221 -2.708 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.560 0.287 -0.302 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.164 0.618 -0.964 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.954 2.648 -3.541 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.386 1.944 -2.782 1.00 1.00 H new ATOM 1072 N THR A 79 -6.793 -1.129 -5.479 1.00 1.00 N ATOM 1073 CA THR A 79 -6.033 -1.202 -6.631 1.00 1.00 C ATOM 1074 C THR A 79 -6.144 -0.055 -7.440 1.00 1.00 C ATOM 1075 O THR A 79 -6.738 -0.100 -8.464 1.00 1.00 O ATOM 1076 CB THR A 79 -6.327 -2.470 -7.371 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.538 -3.521 -6.437 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.125 -2.802 -8.251 1.00 1.00 C ATOM 0 H THR A 79 -7.671 -0.616 -5.557 1.00 1.00 H new ATOM 0 HA THR A 79 -4.985 -1.228 -6.332 1.00 1.00 H new ATOM 0 HB THR A 79 -7.220 -2.353 -7.985 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.732 -4.352 -6.918 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.319 -3.724 -8.799 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.955 -1.989 -8.957 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.241 -2.931 -7.626 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.401 1.039 -6.951 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.240 2.296 -7.616 1.00 1.00 C ATOM 1088 C CYS A 80 -5.754 2.411 -8.927 1.00 1.00 C ATOM 1089 O CYS A 80 -5.134 3.004 -9.813 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.742 2.719 -7.564 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.580 4.349 -6.432 1.00 1.00 S ATOM 0 H CYS A 80 -4.911 1.003 -6.057 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.874 2.982 -7.055 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.135 1.912 -7.154 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.370 2.918 -8.569 1.00 1.00 H new ATOM 1096 N SER A 81 -6.807 1.853 -9.113 1.00 1.00 N ATOM 1097 CA SER A 81 -7.462 1.814 -10.310 1.00 1.00 C ATOM 1098 C SER A 81 -6.960 0.679 -11.017 1.00 1.00 C ATOM 1099 O SER A 81 -7.654 0.057 -11.809 1.00 1.00 O ATOM 1100 CB SER A 81 -7.431 3.147 -11.041 1.00 1.00 C ATOM 1101 OG SER A 81 -6.647 3.048 -12.228 1.00 1.00 O ATOM 0 H SER A 81 -7.301 1.355 -8.372 1.00 1.00 H new ATOM 0 HA SER A 81 -8.536 1.675 -10.185 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.446 3.454 -11.293 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.018 3.917 -10.389 1.00 1.00 H new ATOM 0 HG SER A 81 -5.699 2.982 -11.989 1.00 1.00 H new ATOM 1107 N SER A 82 -5.790 0.283 -10.574 1.00 1.00 N ATOM 1108 CA SER A 82 -5.191 -0.953 -10.994 1.00 1.00 C ATOM 1109 C SER A 82 -3.642 -1.205 -10.603 1.00 1.00 C ATOM 1110 O SER A 82 -3.064 -2.185 -11.083 1.00 1.00 O ATOM 1111 CB SER A 82 -5.441 -1.226 -12.393 1.00 1.00 C ATOM 1112 OG SER A 82 -4.431 -2.071 -12.933 1.00 1.00 O ATOM 0 H SER A 82 -5.228 0.814 -9.909 1.00 1.00 H new ATOM 0 HA SER A 82 -5.714 -1.686 -10.380 1.00 1.00 H new ATOM 0 HB2 SER A 82 -6.416 -1.699 -12.507 1.00 1.00 H new ATOM 0 HB3 SER A 82 -5.474 -0.290 -12.950 1.00 1.00 H new ATOM 0 HG SER A 82 -4.100 -2.673 -12.234 1.00 1.00 H new ATOM 1118 N SER A 83 -2.973 -0.341 -9.692 1.00 1.00 N ATOM 1119 CA SER A 83 -1.546 -0.629 -9.319 1.00 1.00 C ATOM 1120 C SER A 83 -1.464 -1.017 -7.847 1.00 1.00 C ATOM 1121 O SER A 83 -0.385 -1.100 -7.262 1.00 1.00 O ATOM 1122 CB SER A 83 -0.606 0.526 -9.689 1.00 1.00 C ATOM 1123 OG SER A 83 -0.107 0.321 -11.010 1.00 1.00 O ATOM 0 H SER A 83 -3.384 0.483 -9.254 1.00 1.00 H new ATOM 0 HA SER A 83 -1.197 -1.479 -9.906 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.138 1.476 -9.632 1.00 1.00 H new ATOM 0 HB3 SER A 83 0.220 0.580 -8.980 1.00 1.00 H new ATOM 0 HG SER A 83 0.493 1.058 -11.251 1.00 1.00 H new ATOM 1129 N GLY A 84 -2.625 -1.394 -7.320 1.00 1.00 N ATOM 1130 CA GLY A 84 -2.695 -1.940 -5.986 1.00 1.00 C ATOM 1131 C GLY A 84 -2.710 -1.024 -5.034 1.00 1.00 C ATOM 1132 O GLY A 84 -2.167 -1.291 -3.944 1.00 1.00 O ATOM 0 H GLY A 84 -3.522 -1.328 -7.801 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -3.592 -2.553 -5.901 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -1.842 -2.600 -5.829 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.368 0.176 -5.234 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.418 1.042 -4.242 1.00 1.00 C ATOM 1138 C PHE A 85 -4.810 1.633 -4.271 1.00 1.00 C ATOM 1139 O PHE A 85 -5.524 1.265 -3.554 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.260 1.993 -4.383 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.092 1.710 -3.346 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.337 1.334 -1.977 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.201 1.830 -3.790 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.256 1.094 -1.122 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.283 1.587 -2.922 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.050 1.218 -1.593 1.00 1.00 C ATOM 0 H PHE A 85 -3.830 0.462 -6.097 1.00 1.00 H new ATOM 0 HA PHE A 85 -3.288 0.621 -3.245 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.863 1.925 -5.396 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.618 3.014 -4.249 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.349 1.238 -1.613 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.391 2.113 -4.815 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.434 0.812 -0.095 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.296 1.686 -3.284 1.00 1.00 H new ATOM 0 HZ PHE A 85 1.883 1.029 -0.931 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.147 2.631 -5.063 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.645 3.247 -4.929 1.00 1.00 C ATOM 1158 C CYS A 86 -7.729 2.993 -5.991 1.00 1.00 C ATOM 1159 O CYS A 86 -7.708 3.472 -7.122 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.549 4.651 -4.705 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.548 5.356 -6.239 1.00 1.00 S ATOM 0 H CYS A 86 -4.547 3.062 -5.766 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.028 2.653 -4.100 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.537 5.107 -4.638 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.035 4.865 -3.768 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.772 2.170 -5.472 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.907 1.784 -6.213 1.00 1.00 C ATOM 1168 C GLN A 87 -10.648 0.543 -5.559 1.00 1.00 C ATOM 1169 O GLN A 87 -11.878 0.456 -5.606 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.452 1.486 -7.641 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.183 0.270 -8.234 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.659 -1.024 -7.620 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.665 -1.009 -6.945 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.300 -2.147 -7.823 1.00 1.00 N ATOM 0 H GLN A 87 -8.765 1.803 -4.520 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.638 2.592 -6.217 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.631 2.359 -8.269 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.378 1.303 -7.649 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.254 0.358 -8.051 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.045 0.248 -9.315 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.143 -2.156 -8.396 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -9.956 -3.013 -7.408 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.903 -0.386 -5.050 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.504 -1.623 -4.485 1.00 1.00 C ATOM 1185 C GLY A 88 -11.315 -1.425 -3.189 1.00 1.00 C ATOM 1186 O GLY A 88 -12.307 -0.695 -3.165 1.00 1.00 O ATOM 0 H GLY A 88 -8.885 -0.344 -4.999 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.155 -2.068 -5.238 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.706 -2.339 -4.290 1.00 1.00 H new ATOM 1190 N THR A 89 -10.930 -2.201 -2.134 1.00 1.00 N ATOM 1191 CA THR A 89 -11.686 -2.230 -0.858 1.00 1.00 C ATOM 1192 C THR A 89 -10.915 -1.887 0.433 1.00 1.00 C ATOM 1193 O THR A 89 -11.271 -0.943 1.124 1.00 1.00 O ATOM 1194 CB THR A 89 -12.285 -3.709 -0.750 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.570 -3.724 -1.364 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.432 -4.187 0.745 1.00 1.00 C ATOM 0 H THR A 89 -10.109 -2.806 -2.147 1.00 1.00 H new ATOM 0 HA THR A 89 -12.427 -1.433 -0.910 1.00 1.00 H new ATOM 0 HB THR A 89 -11.595 -4.388 -1.250 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.949 -4.626 -1.307 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.843 -5.197 0.766 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.454 -4.183 1.226 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.101 -3.512 1.279 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.026 -2.741 0.796 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.352 -2.672 2.067 1.00 1.00 C ATOM 1206 C ALA A 90 -10.179 -3.569 2.999 1.00 1.00 C ATOM 1207 O ALA A 90 -11.366 -3.358 3.227 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.215 -1.294 2.654 1.00 1.00 C ATOM 0 H ALA A 90 -9.733 -3.527 0.215 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.318 -2.993 1.937 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.694 -1.356 3.609 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.647 -0.662 1.971 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.205 -0.864 2.808 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.508 -4.500 3.518 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.133 -5.557 4.570 1.00 1.00 C ATOM 1216 C GLY A 91 -9.003 -6.363 5.661 1.00 1.00 C ATOM 1217 O GLY A 91 -9.431 -6.918 6.657 1.00 1.00 O ATOM 0 H GLY A 91 -8.521 -4.658 3.315 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.874 -5.035 5.175 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.664 -6.323 4.006 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.626 -6.275 5.398 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.461 -6.875 6.360 1.00 1.00 C ATOM 1223 C HIS A 92 -6.477 -8.389 6.652 1.00 1.00 C ATOM 1224 O HIS A 92 -7.493 -8.884 7.144 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.588 -6.177 7.812 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.587 -6.873 8.743 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.886 -6.418 8.909 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.458 -7.938 9.577 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.477 -7.206 9.820 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.648 -8.151 10.260 1.00 1.00 N ATOM 0 H HIS A 92 -7.257 -5.817 4.565 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.549 -6.670 5.799 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.607 -6.167 8.288 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.890 -5.138 7.681 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.314 -5.628 8.426 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.563 -8.531 9.692 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.497 -7.089 10.155 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.414 -9.139 6.403 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.464 -10.661 6.756 1.00 1.00 C ATOM 1241 C ALA A 93 -4.782 -10.894 8.121 1.00 1.00 C ATOM 1242 O ALA A 93 -3.642 -11.362 8.181 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.714 -11.567 5.667 1.00 1.00 C ATOM 0 H ALA A 93 -4.541 -8.808 5.991 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.515 -10.948 6.779 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.778 -12.615 5.959 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.186 -11.432 4.694 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.667 -11.271 5.606 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.485 -10.565 9.201 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.929 -10.739 10.561 1.00 1.00 C ATOM 1251 C ALA A 94 -4.206 -12.082 10.674 1.00 1.00 C ATOM 1252 O ALA A 94 -4.877 -13.076 10.898 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.076 -10.671 11.630 1.00 1.00 C ATOM 0 H ALA A 94 -6.429 -10.181 9.174 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.218 -9.934 10.745 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.653 -10.801 12.626 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.573 -9.703 11.570 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.800 -11.463 11.438 1.00 1.00 H new TER 1259 ALA A 94