USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 916 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 22 ASN : amide:sc= 0.00911 X(o=-3.4,f=-3.5) USER MOD Set 1.2: A 23 ASN : amide:sc= -1.75 K(o=-3.4,f=-5.1!) USER MOD Set 1.3: A 57 HIS : no HE2:sc= -1.68 K(o=-3.4,f=-4.8) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0481) USER MOD Single : A 6 ASN : amide:sc= -0.452 K(o=-0.45,f=-1.6!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.7!) USER MOD Single : A 14 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.14) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 22:sc= 0.383 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0292 (180deg=-0.236) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.234) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 42 TYR OH : rot -15:sc= -1.31 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 59 GLN : amide:sc= -4.31! K(o=-4.3!,f=-3.4) USER MOD Single : A 63 ASN : amide:sc= -2.85 K(o=-2.8,f=-4.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00843) USER MOD Single : A 68 GLN : amide:sc= -2.05 K(o=-2,f=-3.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 71 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -110:sc= -0.0584 (180deg=-0.146) USER MOD Single : A 76 TYR OH : rot 150:sc=-0.00174 USER MOD Single : A 81 CYS SG : rot -97:sc= 0.325 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0277) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00314 USER MOD Single : A 91 GLN : amide:sc= -0.0553 X(o=-0.055,f=-0.055) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 61:sc= -0.841 USER MOD Single : A 98 SER OG : rot -32:sc= 0.721 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 105 MET CE :methyl 157:sc= -0.412 (180deg=-1.68) USER MOD Single : A 107 CYS SG : rot 27:sc= 0.357 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.0088 X(o=-0.0088,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 33.782 -1.855 19.291 1.00 64.31 N ATOM 2 CA PRO A 2 34.051 -1.638 17.866 1.00 3.24 C ATOM 3 C PRO A 2 33.295 -2.619 16.977 1.00 24.23 C ATOM 4 O PRO A 2 33.280 -3.822 17.238 1.00 74.21 O ATOM 5 CB PRO A 2 35.561 -1.865 17.752 1.00 73.44 C ATOM 6 CG PRO A 2 35.896 -2.766 18.890 1.00 13.22 C ATOM 7 CD PRO A 2 34.953 -2.396 20.002 1.00 43.40 C ATOM 0 HA PRO A 2 33.729 -0.651 17.536 1.00 3.24 H new ATOM 0 HB2 PRO A 2 35.822 -2.320 16.797 1.00 73.44 H new ATOM 0 HB3 PRO A 2 36.109 -0.925 17.817 1.00 73.44 H new ATOM 0 HG2 PRO A 2 35.776 -3.812 18.608 1.00 13.22 H new ATOM 0 HG3 PRO A 2 36.933 -2.636 19.198 1.00 13.22 H new ATOM 0 HD2 PRO A 2 34.689 -3.261 20.610 1.00 43.40 H new ATOM 0 HD3 PRO A 2 35.392 -1.657 20.672 1.00 43.40 H new ATOM 15 N SER A 3 32.670 -2.098 15.926 1.00 22.15 N ATOM 16 CA SER A 3 31.909 -2.929 15.000 1.00 3.34 C ATOM 17 C SER A 3 32.330 -2.661 13.559 1.00 43.43 C ATOM 18 O SER A 3 32.764 -1.559 13.220 1.00 14.13 O ATOM 19 CB SER A 3 30.410 -2.669 15.163 1.00 44.13 C ATOM 20 OG SER A 3 30.026 -1.474 14.504 1.00 34.44 O ATOM 0 H SER A 3 32.676 -1.105 15.694 1.00 22.15 H new ATOM 0 HA SER A 3 32.116 -3.974 15.232 1.00 3.34 H new ATOM 0 HB2 SER A 3 29.846 -3.509 14.758 1.00 44.13 H new ATOM 0 HB3 SER A 3 30.163 -2.600 16.222 1.00 44.13 H new ATOM 0 HG SER A 3 29.064 -1.331 14.621 1.00 34.44 H new ATOM 26 N LYS A 4 32.200 -3.676 12.712 1.00 34.43 N ATOM 27 CA LYS A 4 32.564 -3.553 11.306 1.00 64.00 C ATOM 28 C LYS A 4 31.591 -4.325 10.422 1.00 72.35 C ATOM 29 O LYS A 4 31.651 -5.552 10.338 1.00 60.23 O ATOM 30 CB LYS A 4 33.989 -4.064 11.081 1.00 44.42 C ATOM 31 CG LYS A 4 34.930 -3.013 10.517 1.00 1.53 C ATOM 32 CD LYS A 4 36.385 -3.380 10.757 1.00 71.32 C ATOM 33 CE LYS A 4 36.830 -3.007 12.163 1.00 71.43 C ATOM 34 NZ LYS A 4 38.014 -2.105 12.148 1.00 24.14 N ATOM 0 H LYS A 4 31.844 -4.595 12.976 1.00 34.43 H new ATOM 0 HA LYS A 4 32.515 -2.498 11.035 1.00 64.00 H new ATOM 0 HB2 LYS A 4 34.389 -4.428 12.027 1.00 44.42 H new ATOM 0 HB3 LYS A 4 33.958 -4.915 10.400 1.00 44.42 H new ATOM 0 HG2 LYS A 4 34.754 -2.902 9.447 1.00 1.53 H new ATOM 0 HG3 LYS A 4 34.717 -2.048 10.977 1.00 1.53 H new ATOM 0 HD2 LYS A 4 36.521 -4.450 10.603 1.00 71.32 H new ATOM 0 HD3 LYS A 4 37.015 -2.870 10.028 1.00 71.32 H new ATOM 0 HE2 LYS A 4 36.008 -2.519 12.687 1.00 71.43 H new ATOM 0 HE3 LYS A 4 37.070 -3.912 12.720 1.00 71.43 H new ATOM 0 HZ1 LYS A 4 38.287 -1.874 13.125 1.00 24.14 H new ATOM 0 HZ2 LYS A 4 38.806 -2.580 11.671 1.00 24.14 H new ATOM 0 HZ3 LYS A 4 37.777 -1.230 11.638 1.00 24.14 H new ATOM 48 N LYS A 5 30.695 -3.599 9.762 1.00 74.42 N ATOM 49 CA LYS A 5 29.709 -4.215 8.881 1.00 63.12 C ATOM 50 C LYS A 5 29.793 -3.627 7.476 1.00 62.53 C ATOM 51 O LYS A 5 29.710 -2.414 7.295 1.00 42.53 O ATOM 52 CB LYS A 5 28.299 -4.020 9.443 1.00 25.13 C ATOM 53 CG LYS A 5 28.039 -4.806 10.717 1.00 55.04 C ATOM 54 CD LYS A 5 27.682 -3.889 11.875 1.00 73.15 C ATOM 55 CE LYS A 5 27.698 -4.634 13.201 1.00 51.14 C ATOM 56 NZ LYS A 5 26.763 -5.793 13.197 1.00 13.34 N ATOM 0 H LYS A 5 30.631 -2.583 9.820 1.00 74.42 H new ATOM 0 HA LYS A 5 29.926 -5.282 8.824 1.00 63.12 H new ATOM 0 HB2 LYS A 5 28.139 -2.960 9.641 1.00 25.13 H new ATOM 0 HB3 LYS A 5 27.571 -4.317 8.688 1.00 25.13 H new ATOM 0 HG2 LYS A 5 27.228 -5.514 10.549 1.00 55.04 H new ATOM 0 HG3 LYS A 5 28.924 -5.389 10.973 1.00 55.04 H new ATOM 0 HD2 LYS A 5 28.388 -3.059 11.914 1.00 73.15 H new ATOM 0 HD3 LYS A 5 26.694 -3.460 11.709 1.00 73.15 H new ATOM 0 HE2 LYS A 5 28.709 -4.984 13.409 1.00 51.14 H new ATOM 0 HE3 LYS A 5 27.426 -3.950 14.005 1.00 51.14 H new ATOM 0 HZ1 LYS A 5 26.701 -6.192 14.155 1.00 13.34 H new ATOM 0 HZ2 LYS A 5 25.820 -5.478 12.891 1.00 13.34 H new ATOM 0 HZ3 LYS A 5 27.114 -6.520 12.542 1.00 13.34 H new ATOM 70 N ASN A 6 29.957 -4.497 6.484 1.00 30.32 N ATOM 71 CA ASN A 6 30.051 -4.064 5.095 1.00 50.21 C ATOM 72 C ASN A 6 30.219 -5.259 4.162 1.00 31.52 C ATOM 73 O ASN A 6 31.322 -5.776 3.991 1.00 61.33 O ATOM 74 CB ASN A 6 31.224 -3.097 4.919 1.00 55.22 C ATOM 75 CG ASN A 6 30.766 -1.679 4.636 1.00 1.22 C ATOM 76 OD1 ASN A 6 29.699 -1.462 4.061 1.00 3.12 O ATOM 77 ND2 ASN A 6 31.574 -0.705 5.040 1.00 33.22 N ATOM 0 H ASN A 6 30.027 -5.506 6.617 1.00 30.32 H new ATOM 0 HA ASN A 6 29.124 -3.552 4.837 1.00 50.21 H new ATOM 0 HB2 ASN A 6 31.837 -3.105 5.821 1.00 55.22 H new ATOM 0 HB3 ASN A 6 31.856 -3.442 4.101 1.00 55.22 H new ATOM 0 HD21 ASN A 6 31.319 0.269 4.877 1.00 33.22 H new ATOM 0 HD22 ASN A 6 32.449 -0.931 5.513 1.00 33.22 H new ATOM 84 N GLY A 7 29.115 -5.694 3.561 1.00 44.22 N ATOM 85 CA GLY A 7 29.162 -6.825 2.652 1.00 14.35 C ATOM 86 C GLY A 7 27.914 -6.934 1.798 1.00 1.43 C ATOM 87 O GLY A 7 27.880 -6.438 0.672 1.00 70.43 O ATOM 0 H GLY A 7 28.190 -5.284 3.687 1.00 44.22 H new ATOM 0 HA2 GLY A 7 30.034 -6.731 2.005 1.00 14.35 H new ATOM 0 HA3 GLY A 7 29.288 -7.743 3.226 1.00 14.35 H new ATOM 91 N ARG A 8 26.887 -7.585 2.334 1.00 11.22 N ATOM 92 CA ARG A 8 25.633 -7.760 1.612 1.00 54.20 C ATOM 93 C ARG A 8 24.665 -6.620 1.919 1.00 62.33 C ATOM 94 O ARG A 8 25.032 -5.638 2.563 1.00 12.15 O ATOM 95 CB ARG A 8 24.992 -9.100 1.978 1.00 55.33 C ATOM 96 CG ARG A 8 24.543 -9.185 3.427 1.00 12.34 C ATOM 97 CD ARG A 8 23.645 -10.389 3.663 1.00 23.41 C ATOM 98 NE ARG A 8 22.266 -9.998 3.941 1.00 71.32 N ATOM 99 CZ ARG A 8 21.291 -10.867 4.185 1.00 12.43 C ATOM 100 NH1 ARG A 8 21.543 -12.168 4.187 1.00 72.31 N ATOM 101 NH2 ARG A 8 20.061 -10.433 4.429 1.00 34.35 N ATOM 0 H ARG A 8 26.899 -8.000 3.266 1.00 11.22 H new ATOM 0 HA ARG A 8 25.853 -7.750 0.544 1.00 54.20 H new ATOM 0 HB2 ARG A 8 24.133 -9.271 1.330 1.00 55.33 H new ATOM 0 HB3 ARG A 8 25.705 -9.900 1.780 1.00 55.33 H new ATOM 0 HG2 ARG A 8 25.416 -9.248 4.076 1.00 12.34 H new ATOM 0 HG3 ARG A 8 24.010 -8.274 3.698 1.00 12.34 H new ATOM 0 HD2 ARG A 8 23.668 -11.036 2.786 1.00 23.41 H new ATOM 0 HD3 ARG A 8 24.032 -10.971 4.499 1.00 23.41 H new ATOM 0 HE ARG A 8 22.039 -9.004 3.948 1.00 71.32 H new ATOM 0 HH11 ARG A 8 22.488 -12.505 4.001 1.00 72.31 H new ATOM 0 HH12 ARG A 8 20.792 -12.833 4.375 1.00 72.31 H new ATOM 0 HH21 ARG A 8 19.864 -9.432 4.429 1.00 34.35 H new ATOM 0 HH22 ARG A 8 19.313 -11.100 4.616 1.00 34.35 H new ATOM 115 N SER A 9 23.428 -6.759 1.452 1.00 45.04 N ATOM 116 CA SER A 9 22.409 -5.740 1.672 1.00 4.40 C ATOM 117 C SER A 9 21.014 -6.357 1.669 1.00 1.32 C ATOM 118 O SER A 9 20.523 -6.804 0.634 1.00 70.03 O ATOM 119 CB SER A 9 22.502 -4.655 0.597 1.00 52.01 C ATOM 120 OG SER A 9 22.092 -3.397 1.105 1.00 70.21 O ATOM 0 H SER A 9 23.108 -7.568 0.919 1.00 45.04 H new ATOM 0 HA SER A 9 22.586 -5.290 2.649 1.00 4.40 H new ATOM 0 HB2 SER A 9 23.527 -4.587 0.232 1.00 52.01 H new ATOM 0 HB3 SER A 9 21.878 -4.928 -0.254 1.00 52.01 H new ATOM 0 HG SER A 9 22.162 -2.721 0.399 1.00 70.21 H new ATOM 126 N GLY A 10 20.380 -6.377 2.838 1.00 63.01 N ATOM 127 CA GLY A 10 19.048 -6.941 2.949 1.00 31.25 C ATOM 128 C GLY A 10 17.961 -5.918 2.685 1.00 21.21 C ATOM 129 O GLY A 10 18.228 -4.790 2.272 1.00 3.41 O ATOM 0 H GLY A 10 20.765 -6.013 3.709 1.00 63.01 H new ATOM 0 HA2 GLY A 10 18.946 -7.765 2.243 1.00 31.25 H new ATOM 0 HA3 GLY A 10 18.915 -7.358 3.947 1.00 31.25 H new ATOM 133 N PRO A 11 16.701 -6.312 2.924 1.00 64.20 N ATOM 134 CA PRO A 11 15.545 -5.436 2.715 1.00 72.23 C ATOM 135 C PRO A 11 15.486 -4.301 3.731 1.00 43.31 C ATOM 136 O PRO A 11 15.908 -4.459 4.876 1.00 64.00 O ATOM 137 CB PRO A 11 14.350 -6.377 2.894 1.00 4.53 C ATOM 138 CG PRO A 11 14.858 -7.470 3.770 1.00 74.24 C ATOM 139 CD PRO A 11 16.309 -7.643 3.417 1.00 22.12 C ATOM 0 HA PRO A 11 15.577 -4.945 1.742 1.00 72.23 H new ATOM 0 HB2 PRO A 11 13.506 -5.862 3.352 1.00 4.53 H new ATOM 0 HB3 PRO A 11 14.005 -6.765 1.936 1.00 4.53 H new ATOM 0 HG2 PRO A 11 14.740 -7.213 4.823 1.00 74.24 H new ATOM 0 HG3 PRO A 11 14.303 -8.393 3.604 1.00 74.24 H new ATOM 0 HD2 PRO A 11 16.900 -7.941 4.283 1.00 22.12 H new ATOM 0 HD3 PRO A 11 16.449 -8.411 2.656 1.00 22.12 H new ATOM 147 N GLN A 12 14.960 -3.157 3.304 1.00 23.20 N ATOM 148 CA GLN A 12 14.847 -1.996 4.178 1.00 3.41 C ATOM 149 C GLN A 12 13.453 -1.383 4.092 1.00 23.10 C ATOM 150 O GLN A 12 12.728 -1.566 3.114 1.00 13.32 O ATOM 151 CB GLN A 12 15.901 -0.949 3.810 1.00 74.44 C ATOM 152 CG GLN A 12 16.076 -0.764 2.311 1.00 71.20 C ATOM 153 CD GLN A 12 17.253 -1.544 1.760 1.00 22.42 C ATOM 154 OE1 GLN A 12 18.238 -1.781 2.460 1.00 3.23 O ATOM 155 NE2 GLN A 12 17.157 -1.950 0.499 1.00 4.33 N ATOM 0 H GLN A 12 14.606 -3.010 2.359 1.00 23.20 H new ATOM 0 HA GLN A 12 15.016 -2.327 5.203 1.00 3.41 H new ATOM 0 HB2 GLN A 12 15.624 0.006 4.256 1.00 74.44 H new ATOM 0 HB3 GLN A 12 16.857 -1.239 4.246 1.00 74.44 H new ATOM 0 HG2 GLN A 12 15.166 -1.079 1.801 1.00 71.20 H new ATOM 0 HG3 GLN A 12 16.213 0.295 2.093 1.00 71.20 H new ATOM 0 HE21 GLN A 12 16.322 -1.731 -0.045 1.00 4.33 H new ATOM 0 HE22 GLN A 12 17.918 -2.480 0.075 1.00 4.33 H new ATOM 164 N PRO A 13 13.068 -0.639 5.139 1.00 12.31 N ATOM 165 CA PRO A 13 11.758 0.016 5.205 1.00 11.04 C ATOM 166 C PRO A 13 11.636 1.169 4.215 1.00 15.45 C ATOM 167 O PRO A 13 12.583 1.929 4.011 1.00 23.33 O ATOM 168 CB PRO A 13 11.694 0.537 6.643 1.00 30.45 C ATOM 169 CG PRO A 13 13.118 0.705 7.049 1.00 35.42 C ATOM 170 CD PRO A 13 13.881 -0.379 6.339 1.00 42.53 C ATOM 0 HA PRO A 13 10.948 -0.666 4.948 1.00 11.04 H new ATOM 0 HB2 PRO A 13 11.153 1.481 6.698 1.00 30.45 H new ATOM 0 HB3 PRO A 13 11.176 -0.166 7.296 1.00 30.45 H new ATOM 0 HG2 PRO A 13 13.490 1.691 6.770 1.00 35.42 H new ATOM 0 HG3 PRO A 13 13.229 0.617 8.130 1.00 35.42 H new ATOM 0 HD2 PRO A 13 14.889 -0.056 6.079 1.00 42.53 H new ATOM 0 HD3 PRO A 13 13.981 -1.271 6.957 1.00 42.53 H new ATOM 178 N HIS A 14 10.463 1.296 3.603 1.00 75.40 N ATOM 179 CA HIS A 14 10.216 2.358 2.634 1.00 2.15 C ATOM 180 C HIS A 14 8.953 3.135 2.990 1.00 15.44 C ATOM 181 O HIS A 14 8.269 2.818 3.964 1.00 71.01 O ATOM 182 CB HIS A 14 10.091 1.775 1.227 1.00 72.13 C ATOM 183 CG HIS A 14 11.252 0.917 0.828 1.00 42.40 C ATOM 184 ND1 HIS A 14 11.158 -0.449 0.665 1.00 42.44 N ATOM 185 CD2 HIS A 14 12.539 1.239 0.558 1.00 52.53 C ATOM 186 CE1 HIS A 14 12.337 -0.930 0.313 1.00 41.11 C ATOM 187 NE2 HIS A 14 13.192 0.074 0.241 1.00 43.15 N ATOM 0 H HIS A 14 9.668 0.676 3.761 1.00 75.40 H new ATOM 0 HA HIS A 14 11.063 3.044 2.660 1.00 2.15 H new ATOM 0 HB2 HIS A 14 9.176 1.185 1.167 1.00 72.13 H new ATOM 0 HB3 HIS A 14 9.991 2.592 0.512 1.00 72.13 H new ATOM 0 HD2 HIS A 14 12.971 2.228 0.587 1.00 52.53 H new ATOM 0 HE1 HIS A 14 12.563 -1.968 0.117 1.00 41.11 H new ATOM 0 HE2 HIS A 14 14.178 -0.004 -0.010 1.00 43.15 H new ATOM 195 N LYS A 15 8.648 4.156 2.196 1.00 71.12 N ATOM 196 CA LYS A 15 7.467 4.979 2.425 1.00 14.05 C ATOM 197 C LYS A 15 6.351 4.614 1.452 1.00 70.44 C ATOM 198 O LYS A 15 5.414 5.386 1.248 1.00 44.22 O ATOM 199 CB LYS A 15 7.817 6.462 2.283 1.00 63.24 C ATOM 200 CG LYS A 15 8.592 6.784 1.017 1.00 41.43 C ATOM 201 CD LYS A 15 10.005 7.248 1.330 1.00 13.04 C ATOM 202 CE LYS A 15 10.619 7.997 0.157 1.00 30.45 C ATOM 203 NZ LYS A 15 12.097 8.120 0.291 1.00 60.32 N ATOM 0 H LYS A 15 9.204 4.433 1.387 1.00 71.12 H new ATOM 0 HA LYS A 15 7.116 4.790 3.440 1.00 14.05 H new ATOM 0 HB2 LYS A 15 6.897 7.047 2.295 1.00 63.24 H new ATOM 0 HB3 LYS A 15 8.404 6.773 3.147 1.00 63.24 H new ATOM 0 HG2 LYS A 15 8.631 5.901 0.379 1.00 41.43 H new ATOM 0 HG3 LYS A 15 8.069 7.559 0.457 1.00 41.43 H new ATOM 0 HD2 LYS A 15 9.991 7.894 2.208 1.00 13.04 H new ATOM 0 HD3 LYS A 15 10.625 6.387 1.578 1.00 13.04 H new ATOM 0 HE2 LYS A 15 10.380 7.477 -0.771 1.00 30.45 H new ATOM 0 HE3 LYS A 15 10.176 8.991 0.089 1.00 30.45 H new ATOM 0 HZ1 LYS A 15 12.478 8.636 -0.527 1.00 60.32 H new ATOM 0 HZ2 LYS A 15 12.325 8.638 1.164 1.00 60.32 H new ATOM 0 HZ3 LYS A 15 12.522 7.172 0.331 1.00 60.32 H new ATOM 217 N ARG A 16 6.457 3.431 0.854 1.00 1.21 N ATOM 218 CA ARG A 16 5.457 2.964 -0.098 1.00 33.10 C ATOM 219 C ARG A 16 5.187 1.473 0.085 1.00 53.20 C ATOM 220 O ARG A 16 6.111 0.661 0.086 1.00 63.42 O ATOM 221 CB ARG A 16 5.918 3.237 -1.531 1.00 2.44 C ATOM 222 CG ARG A 16 6.158 4.710 -1.823 1.00 24.55 C ATOM 223 CD ARG A 16 7.644 5.026 -1.904 1.00 55.22 C ATOM 224 NE ARG A 16 8.186 4.769 -3.236 1.00 33.44 N ATOM 225 CZ ARG A 16 9.485 4.673 -3.494 1.00 61.21 C ATOM 226 NH1 ARG A 16 10.371 4.812 -2.517 1.00 53.03 N ATOM 227 NH2 ARG A 16 9.901 4.437 -4.732 1.00 31.31 N ATOM 0 H ARG A 16 7.225 2.779 1.012 1.00 1.21 H new ATOM 0 HA ARG A 16 4.532 3.510 0.089 1.00 33.10 H new ATOM 0 HB2 ARG A 16 6.838 2.683 -1.720 1.00 2.44 H new ATOM 0 HB3 ARG A 16 5.168 2.855 -2.224 1.00 2.44 H new ATOM 0 HG2 ARG A 16 5.676 4.979 -2.763 1.00 24.55 H new ATOM 0 HG3 ARG A 16 5.698 5.317 -1.043 1.00 24.55 H new ATOM 0 HD2 ARG A 16 7.807 6.071 -1.642 1.00 55.22 H new ATOM 0 HD3 ARG A 16 8.183 4.425 -1.171 1.00 55.22 H new ATOM 0 HE ARG A 16 7.531 4.657 -4.010 1.00 33.44 H new ATOM 0 HH11 ARG A 16 10.055 4.993 -1.564 1.00 53.03 H new ATOM 0 HH12 ARG A 16 11.368 4.738 -2.718 1.00 53.03 H new ATOM 0 HH21 ARG A 16 9.223 4.329 -5.486 1.00 31.31 H new ATOM 0 HH22 ARG A 16 10.899 4.363 -4.929 1.00 31.31 H new ATOM 241 N TRP A 17 3.915 1.123 0.240 1.00 22.41 N ATOM 242 CA TRP A 17 3.524 -0.270 0.425 1.00 72.34 C ATOM 243 C TRP A 17 2.120 -0.517 -0.116 1.00 71.45 C ATOM 244 O TRP A 17 1.206 0.273 0.118 1.00 53.12 O ATOM 245 CB TRP A 17 3.587 -0.647 1.906 1.00 74.34 C ATOM 246 CG TRP A 17 4.986 -0.776 2.427 1.00 71.21 C ATOM 247 CD1 TRP A 17 5.715 0.187 3.063 1.00 4.12 C ATOM 248 CD2 TRP A 17 5.824 -1.935 2.354 1.00 1.43 C ATOM 249 NE1 TRP A 17 6.957 -0.303 3.391 1.00 52.24 N ATOM 250 CE2 TRP A 17 7.048 -1.602 2.967 1.00 20.34 C ATOM 251 CE3 TRP A 17 5.659 -3.221 1.833 1.00 3.32 C ATOM 252 CZ2 TRP A 17 8.099 -2.510 3.071 1.00 51.21 C ATOM 253 CZ3 TRP A 17 6.703 -4.120 1.936 1.00 23.14 C ATOM 254 CH2 TRP A 17 7.910 -3.762 2.552 1.00 41.21 C ATOM 0 H TRP A 17 3.138 1.784 0.241 1.00 22.41 H new ATOM 0 HA TRP A 17 4.223 -0.895 -0.131 1.00 72.34 H new ATOM 0 HB2 TRP A 17 3.058 0.108 2.488 1.00 74.34 H new ATOM 0 HB3 TRP A 17 3.063 -1.591 2.056 1.00 74.34 H new ATOM 0 HD1 TRP A 17 5.367 1.187 3.277 1.00 4.12 H new ATOM 0 HE1 TRP A 17 7.691 0.217 3.872 1.00 52.24 H new ATOM 0 HE3 TRP A 17 4.732 -3.507 1.358 1.00 3.32 H new ATOM 0 HZ2 TRP A 17 9.030 -2.236 3.544 1.00 51.21 H new ATOM 0 HZ3 TRP A 17 6.587 -5.116 1.535 1.00 23.14 H new ATOM 0 HH2 TRP A 17 8.706 -4.488 2.618 1.00 41.21 H new ATOM 265 N VAL A 18 1.955 -1.619 -0.841 1.00 61.43 N ATOM 266 CA VAL A 18 0.661 -1.971 -1.415 1.00 24.14 C ATOM 267 C VAL A 18 0.054 -3.174 -0.703 1.00 33.43 C ATOM 268 O VAL A 18 0.752 -3.923 -0.019 1.00 43.10 O ATOM 269 CB VAL A 18 0.780 -2.284 -2.918 1.00 41.11 C ATOM 270 CG1 VAL A 18 1.413 -1.116 -3.658 1.00 50.44 C ATOM 271 CG2 VAL A 18 1.580 -3.559 -3.135 1.00 22.52 C ATOM 0 H VAL A 18 2.701 -2.284 -1.045 1.00 61.43 H new ATOM 0 HA VAL A 18 0.010 -1.107 -1.282 1.00 24.14 H new ATOM 0 HB VAL A 18 -0.222 -2.438 -3.320 1.00 41.11 H new ATOM 0 HG11 VAL A 18 1.489 -1.355 -4.719 1.00 50.44 H new ATOM 0 HG12 VAL A 18 0.796 -0.227 -3.530 1.00 50.44 H new ATOM 0 HG13 VAL A 18 2.409 -0.927 -3.256 1.00 50.44 H new ATOM 0 HG21 VAL A 18 1.654 -3.765 -4.203 1.00 22.52 H new ATOM 0 HG22 VAL A 18 2.580 -3.436 -2.719 1.00 22.52 H new ATOM 0 HG23 VAL A 18 1.080 -4.391 -2.639 1.00 22.52 H new ATOM 281 N PHE A 19 -1.252 -3.355 -0.868 1.00 35.10 N ATOM 282 CA PHE A 19 -1.956 -4.468 -0.241 1.00 3.03 C ATOM 283 C PHE A 19 -2.941 -5.107 -1.215 1.00 12.03 C ATOM 284 O PHE A 19 -3.556 -4.422 -2.033 1.00 60.54 O ATOM 285 CB PHE A 19 -2.695 -3.991 1.011 1.00 31.11 C ATOM 286 CG PHE A 19 -3.570 -2.794 0.771 1.00 72.20 C ATOM 287 CD1 PHE A 19 -3.031 -1.518 0.751 1.00 71.12 C ATOM 288 CD2 PHE A 19 -4.932 -2.945 0.566 1.00 72.41 C ATOM 289 CE1 PHE A 19 -3.834 -0.415 0.530 1.00 45.53 C ATOM 290 CE2 PHE A 19 -5.739 -1.846 0.344 1.00 55.21 C ATOM 291 CZ PHE A 19 -5.190 -0.579 0.327 1.00 3.30 C ATOM 0 H PHE A 19 -1.845 -2.745 -1.431 1.00 35.10 H new ATOM 0 HA PHE A 19 -1.218 -5.217 0.045 1.00 3.03 H new ATOM 0 HB2 PHE A 19 -3.307 -4.807 1.395 1.00 31.11 H new ATOM 0 HB3 PHE A 19 -1.965 -3.749 1.784 1.00 31.11 H new ATOM 0 HD1 PHE A 19 -1.971 -1.384 0.910 1.00 71.12 H new ATOM 0 HD2 PHE A 19 -5.368 -3.933 0.580 1.00 72.41 H new ATOM 0 HE1 PHE A 19 -3.401 0.574 0.516 1.00 45.53 H new ATOM 0 HE2 PHE A 19 -6.799 -1.978 0.184 1.00 55.21 H new ATOM 0 HZ PHE A 19 -5.820 0.282 0.155 1.00 3.30 H new ATOM 301 N THR A 20 -3.087 -6.425 -1.121 1.00 24.13 N ATOM 302 CA THR A 20 -3.995 -7.158 -1.993 1.00 71.04 C ATOM 303 C THR A 20 -4.560 -8.388 -1.291 1.00 43.43 C ATOM 304 O THR A 20 -3.813 -9.200 -0.743 1.00 52.22 O ATOM 305 CB THR A 20 -3.293 -7.599 -3.292 1.00 33.23 C ATOM 306 OG1 THR A 20 -2.273 -8.560 -2.995 1.00 53.52 O ATOM 307 CG2 THR A 20 -2.680 -6.405 -4.008 1.00 72.40 C ATOM 0 H THR A 20 -2.587 -7.007 -0.449 1.00 24.13 H new ATOM 0 HA THR A 20 -4.811 -6.479 -2.242 1.00 71.04 H new ATOM 0 HB THR A 20 -4.038 -8.051 -3.947 1.00 33.23 H new ATOM 0 HG1 THR A 20 -2.460 -8.978 -2.128 1.00 53.52 H new ATOM 0 HG21 THR A 20 -2.190 -6.741 -4.922 1.00 72.40 H new ATOM 0 HG22 THR A 20 -3.463 -5.689 -4.258 1.00 72.40 H new ATOM 0 HG23 THR A 20 -1.947 -5.928 -3.358 1.00 72.40 H new ATOM 315 N LEU A 21 -5.881 -8.520 -1.312 1.00 14.24 N ATOM 316 CA LEU A 21 -6.547 -9.652 -0.677 1.00 22.41 C ATOM 317 C LEU A 21 -7.710 -10.149 -1.530 1.00 43.41 C ATOM 318 O LEU A 21 -8.480 -9.355 -2.068 1.00 54.02 O ATOM 319 CB LEU A 21 -7.050 -9.260 0.713 1.00 13.21 C ATOM 320 CG LEU A 21 -7.650 -10.388 1.553 1.00 2.03 C ATOM 321 CD1 LEU A 21 -6.697 -10.787 2.669 1.00 2.23 C ATOM 322 CD2 LEU A 21 -8.997 -9.970 2.124 1.00 51.01 C ATOM 0 H LEU A 21 -6.513 -7.857 -1.762 1.00 14.24 H new ATOM 0 HA LEU A 21 -5.821 -10.460 -0.579 1.00 22.41 H new ATOM 0 HB2 LEU A 21 -6.220 -8.823 1.268 1.00 13.21 H new ATOM 0 HB3 LEU A 21 -7.802 -8.480 0.598 1.00 13.21 H new ATOM 0 HG LEU A 21 -7.804 -11.253 0.908 1.00 2.03 H new ATOM 0 HD11 LEU A 21 -7.141 -11.591 3.256 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -5.756 -11.129 2.239 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -6.511 -9.928 3.313 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -9.409 -10.785 2.719 1.00 51.01 H new ATOM 0 HD22 LEU A 21 -8.868 -9.090 2.754 1.00 51.01 H new ATOM 0 HD23 LEU A 21 -9.681 -9.735 1.308 1.00 51.01 H new ATOM 334 N ASN A 22 -7.831 -11.467 -1.647 1.00 42.01 N ATOM 335 CA ASN A 22 -8.901 -12.069 -2.433 1.00 71.55 C ATOM 336 C ASN A 22 -10.183 -12.179 -1.613 1.00 61.44 C ATOM 337 O ASN A 22 -10.150 -12.539 -0.437 1.00 74.25 O ATOM 338 CB ASN A 22 -8.480 -13.454 -2.930 1.00 41.13 C ATOM 339 CG ASN A 22 -8.864 -13.690 -4.378 1.00 61.03 C ATOM 340 OD1 ASN A 22 -8.149 -13.286 -5.295 1.00 52.45 O ATOM 341 ND2 ASN A 22 -9.998 -14.348 -4.590 1.00 10.33 N ATOM 0 H ASN A 22 -7.201 -12.138 -1.208 1.00 42.01 H new ATOM 0 HA ASN A 22 -9.094 -11.425 -3.291 1.00 71.55 H new ATOM 0 HB2 ASN A 22 -7.401 -13.564 -2.821 1.00 41.13 H new ATOM 0 HB3 ASN A 22 -8.943 -14.218 -2.305 1.00 41.13 H new ATOM 0 HD21 ASN A 22 -10.307 -14.537 -5.543 1.00 10.33 H new ATOM 0 HD22 ASN A 22 -10.559 -14.665 -3.799 1.00 10.33 H new ATOM 348 N ASN A 23 -11.311 -11.867 -2.244 1.00 23.24 N ATOM 349 CA ASN A 23 -12.604 -11.931 -1.573 1.00 10.13 C ATOM 350 C ASN A 23 -12.567 -11.177 -0.247 1.00 24.23 C ATOM 351 O ASN A 23 -12.690 -11.760 0.831 1.00 54.12 O ATOM 352 CB ASN A 23 -13.006 -13.387 -1.333 1.00 75.41 C ATOM 353 CG ASN A 23 -13.528 -14.057 -2.590 1.00 35.24 C ATOM 354 OD1 ASN A 23 -12.910 -13.978 -3.651 1.00 72.12 O ATOM 355 ND2 ASN A 23 -14.673 -14.721 -2.474 1.00 63.11 N ATOM 0 H ASN A 23 -11.355 -11.568 -3.218 1.00 23.24 H new ATOM 0 HA ASN A 23 -13.344 -11.458 -2.219 1.00 10.13 H new ATOM 0 HB2 ASN A 23 -12.145 -13.942 -0.959 1.00 75.41 H new ATOM 0 HB3 ASN A 23 -13.772 -13.427 -0.558 1.00 75.41 H new ATOM 0 HD21 ASN A 23 -15.074 -15.192 -3.285 1.00 63.11 H new ATOM 0 HD22 ASN A 23 -15.151 -14.760 -1.574 1.00 63.11 H new ATOM 362 N PRO A 24 -12.392 -9.850 -0.325 1.00 54.44 N ATOM 363 CA PRO A 24 -12.336 -8.987 0.859 1.00 61.15 C ATOM 364 C PRO A 24 -13.688 -8.867 1.553 1.00 21.04 C ATOM 365 O PRO A 24 -14.723 -8.741 0.900 1.00 53.21 O ATOM 366 CB PRO A 24 -11.905 -7.633 0.290 1.00 4.34 C ATOM 367 CG PRO A 24 -12.354 -7.657 -1.130 1.00 31.13 C ATOM 368 CD PRO A 24 -12.238 -9.088 -1.576 1.00 62.23 C ATOM 0 HA PRO A 24 -11.661 -9.380 1.619 1.00 61.15 H new ATOM 0 HB2 PRO A 24 -12.365 -6.810 0.837 1.00 4.34 H new ATOM 0 HB3 PRO A 24 -10.826 -7.499 0.361 1.00 4.34 H new ATOM 0 HG2 PRO A 24 -13.380 -7.302 -1.221 1.00 31.13 H new ATOM 0 HG3 PRO A 24 -11.735 -7.005 -1.746 1.00 31.13 H new ATOM 0 HD2 PRO A 24 -13.010 -9.346 -2.301 1.00 62.23 H new ATOM 0 HD3 PRO A 24 -11.276 -9.284 -2.050 1.00 62.23 H new ATOM 376 N SER A 25 -13.671 -8.907 2.882 1.00 41.21 N ATOM 377 CA SER A 25 -14.897 -8.806 3.665 1.00 4.24 C ATOM 378 C SER A 25 -15.183 -7.355 4.042 1.00 63.22 C ATOM 379 O SER A 25 -14.280 -6.519 4.061 1.00 14.12 O ATOM 380 CB SER A 25 -14.791 -9.661 4.929 1.00 20.24 C ATOM 381 OG SER A 25 -15.182 -10.999 4.674 1.00 73.00 O ATOM 0 H SER A 25 -12.822 -9.009 3.438 1.00 41.21 H new ATOM 0 HA SER A 25 -15.721 -9.174 3.053 1.00 4.24 H new ATOM 0 HB2 SER A 25 -13.766 -9.643 5.299 1.00 20.24 H new ATOM 0 HB3 SER A 25 -15.420 -9.238 5.712 1.00 20.24 H new ATOM 0 HG SER A 25 -15.104 -11.525 5.497 1.00 73.00 H new ATOM 387 N GLU A 26 -16.445 -7.066 4.340 1.00 15.21 N ATOM 388 CA GLU A 26 -16.851 -5.716 4.715 1.00 31.31 C ATOM 389 C GLU A 26 -16.064 -5.229 5.928 1.00 32.15 C ATOM 390 O GLU A 26 -15.823 -4.032 6.085 1.00 21.13 O ATOM 391 CB GLU A 26 -18.351 -5.676 5.016 1.00 3.32 C ATOM 392 CG GLU A 26 -19.165 -4.955 3.955 1.00 73.41 C ATOM 393 CD GLU A 26 -20.657 -5.171 4.119 1.00 54.22 C ATOM 394 OE1 GLU A 26 -21.136 -6.278 3.793 1.00 3.41 O ATOM 395 OE2 GLU A 26 -21.346 -4.233 4.572 1.00 35.31 O ATOM 0 H GLU A 26 -17.204 -7.747 4.329 1.00 15.21 H new ATOM 0 HA GLU A 26 -16.639 -5.053 3.876 1.00 31.31 H new ATOM 0 HB2 GLU A 26 -18.721 -6.697 5.114 1.00 3.32 H new ATOM 0 HB3 GLU A 26 -18.507 -5.186 5.977 1.00 3.32 H new ATOM 0 HG2 GLU A 26 -18.949 -3.888 3.999 1.00 73.41 H new ATOM 0 HG3 GLU A 26 -18.858 -5.302 2.968 1.00 73.41 H new ATOM 402 N ASP A 27 -15.668 -6.165 6.784 1.00 62.13 N ATOM 403 CA ASP A 27 -14.908 -5.833 7.983 1.00 1.51 C ATOM 404 C ASP A 27 -13.486 -5.410 7.626 1.00 73.01 C ATOM 405 O ASP A 27 -12.997 -4.384 8.097 1.00 54.44 O ATOM 406 CB ASP A 27 -14.874 -7.026 8.938 1.00 24.53 C ATOM 407 CG ASP A 27 -15.700 -6.792 10.188 1.00 65.22 C ATOM 408 OD1 ASP A 27 -16.930 -6.615 10.062 1.00 45.11 O ATOM 409 OD2 ASP A 27 -15.116 -6.787 11.292 1.00 52.12 O ATOM 0 H ASP A 27 -15.861 -7.160 6.669 1.00 62.13 H new ATOM 0 HA ASP A 27 -15.403 -4.997 8.477 1.00 1.51 H new ATOM 0 HB2 ASP A 27 -15.245 -7.911 8.422 1.00 24.53 H new ATOM 0 HB3 ASP A 27 -13.842 -7.231 9.221 1.00 24.53 H new ATOM 414 N GLU A 28 -12.829 -6.209 6.792 1.00 64.43 N ATOM 415 CA GLU A 28 -11.462 -5.918 6.374 1.00 73.33 C ATOM 416 C GLU A 28 -11.410 -4.645 5.534 1.00 62.43 C ATOM 417 O GLU A 28 -10.589 -3.761 5.778 1.00 23.21 O ATOM 418 CB GLU A 28 -10.888 -7.092 5.577 1.00 1.14 C ATOM 419 CG GLU A 28 -9.727 -7.787 6.269 1.00 35.04 C ATOM 420 CD GLU A 28 -10.179 -8.694 7.398 1.00 55.25 C ATOM 421 OE1 GLU A 28 -11.121 -8.312 8.124 1.00 3.31 O ATOM 422 OE2 GLU A 28 -9.592 -9.785 7.554 1.00 15.31 O ATOM 0 H GLU A 28 -13.220 -7.062 6.392 1.00 64.43 H new ATOM 0 HA GLU A 28 -10.859 -5.767 7.270 1.00 73.33 H new ATOM 0 HB2 GLU A 28 -11.680 -7.819 5.396 1.00 1.14 H new ATOM 0 HB3 GLU A 28 -10.557 -6.732 4.603 1.00 1.14 H new ATOM 0 HG2 GLU A 28 -9.171 -8.373 5.537 1.00 35.04 H new ATOM 0 HG3 GLU A 28 -9.042 -7.036 6.663 1.00 35.04 H new ATOM 429 N ARG A 29 -12.292 -4.561 4.543 1.00 45.40 N ATOM 430 CA ARG A 29 -12.345 -3.398 3.665 1.00 11.44 C ATOM 431 C ARG A 29 -12.629 -2.128 4.462 1.00 10.33 C ATOM 432 O ARG A 29 -12.098 -1.059 4.159 1.00 23.30 O ATOM 433 CB ARG A 29 -13.419 -3.590 2.593 1.00 21.30 C ATOM 434 CG ARG A 29 -12.896 -4.224 1.314 1.00 21.24 C ATOM 435 CD ARG A 29 -14.019 -4.853 0.504 1.00 10.15 C ATOM 436 NE ARG A 29 -14.770 -3.857 -0.255 1.00 44.15 N ATOM 437 CZ ARG A 29 -15.973 -4.080 -0.773 1.00 25.53 C ATOM 438 NH1 ARG A 29 -16.558 -5.259 -0.612 1.00 72.12 N ATOM 439 NH2 ARG A 29 -16.592 -3.124 -1.452 1.00 13.21 N ATOM 0 H ARG A 29 -12.979 -5.284 4.328 1.00 45.40 H new ATOM 0 HA ARG A 29 -11.373 -3.294 3.182 1.00 11.44 H new ATOM 0 HB2 ARG A 29 -14.217 -4.213 2.997 1.00 21.30 H new ATOM 0 HB3 ARG A 29 -13.860 -2.622 2.355 1.00 21.30 H new ATOM 0 HG2 ARG A 29 -12.391 -3.468 0.712 1.00 21.24 H new ATOM 0 HG3 ARG A 29 -12.154 -4.984 1.560 1.00 21.24 H new ATOM 0 HD2 ARG A 29 -13.602 -5.592 -0.180 1.00 10.15 H new ATOM 0 HD3 ARG A 29 -14.695 -5.384 1.174 1.00 10.15 H new ATOM 0 HE ARG A 29 -14.348 -2.939 -0.395 1.00 44.15 H new ATOM 0 HH11 ARG A 29 -16.084 -5.996 -0.090 1.00 72.12 H new ATOM 0 HH12 ARG A 29 -17.482 -5.429 -1.010 1.00 72.12 H new ATOM 0 HH21 ARG A 29 -16.145 -2.216 -1.577 1.00 13.21 H new ATOM 0 HH22 ARG A 29 -17.516 -3.297 -1.849 1.00 13.21 H new ATOM 453 N LYS A 30 -13.471 -2.252 5.483 1.00 42.21 N ATOM 454 CA LYS A 30 -13.826 -1.116 6.325 1.00 41.52 C ATOM 455 C LYS A 30 -12.643 -0.686 7.187 1.00 61.32 C ATOM 456 O LYS A 30 -12.449 0.501 7.447 1.00 53.42 O ATOM 457 CB LYS A 30 -15.019 -1.468 7.216 1.00 22.23 C ATOM 458 CG LYS A 30 -15.490 -0.316 8.086 1.00 2.41 C ATOM 459 CD LYS A 30 -16.658 -0.724 8.968 1.00 50.40 C ATOM 460 CE LYS A 30 -17.991 -0.476 8.278 1.00 65.45 C ATOM 461 NZ LYS A 30 -18.300 0.976 8.173 1.00 11.54 N ATOM 0 H LYS A 30 -13.920 -3.129 5.747 1.00 42.21 H new ATOM 0 HA LYS A 30 -14.099 -0.285 5.674 1.00 41.52 H new ATOM 0 HB2 LYS A 30 -15.846 -1.799 6.588 1.00 22.23 H new ATOM 0 HB3 LYS A 30 -14.749 -2.308 7.856 1.00 22.23 H new ATOM 0 HG2 LYS A 30 -14.666 0.031 8.710 1.00 2.41 H new ATOM 0 HG3 LYS A 30 -15.786 0.521 7.454 1.00 2.41 H new ATOM 0 HD2 LYS A 30 -16.571 -1.780 9.224 1.00 50.40 H new ATOM 0 HD3 LYS A 30 -16.622 -0.165 9.903 1.00 50.40 H new ATOM 0 HE2 LYS A 30 -17.971 -0.916 7.281 1.00 65.45 H new ATOM 0 HE3 LYS A 30 -18.785 -0.977 8.832 1.00 65.45 H new ATOM 0 HZ1 LYS A 30 -19.318 1.103 8.004 1.00 11.54 H new ATOM 0 HZ2 LYS A 30 -18.034 1.452 9.058 1.00 11.54 H new ATOM 0 HZ3 LYS A 30 -17.764 1.389 7.383 1.00 11.54 H new ATOM 475 N LYS A 31 -11.853 -1.660 7.626 1.00 30.15 N ATOM 476 CA LYS A 31 -10.687 -1.384 8.457 1.00 42.31 C ATOM 477 C LYS A 31 -9.682 -0.513 7.711 1.00 45.55 C ATOM 478 O LYS A 31 -9.239 0.517 8.221 1.00 21.22 O ATOM 479 CB LYS A 31 -10.022 -2.692 8.890 1.00 65.35 C ATOM 480 CG LYS A 31 -8.693 -2.494 9.599 1.00 15.33 C ATOM 481 CD LYS A 31 -7.546 -3.111 8.818 1.00 43.43 C ATOM 482 CE LYS A 31 -7.113 -4.440 9.418 1.00 54.32 C ATOM 483 NZ LYS A 31 -8.266 -5.364 9.608 1.00 42.53 N ATOM 0 H LYS A 31 -11.999 -2.648 7.420 1.00 30.15 H new ATOM 0 HA LYS A 31 -11.023 -0.844 9.343 1.00 42.31 H new ATOM 0 HB2 LYS A 31 -10.700 -3.233 9.551 1.00 65.35 H new ATOM 0 HB3 LYS A 31 -9.866 -3.318 8.012 1.00 65.35 H new ATOM 0 HG2 LYS A 31 -8.509 -1.429 9.737 1.00 15.33 H new ATOM 0 HG3 LYS A 31 -8.740 -2.941 10.592 1.00 15.33 H new ATOM 0 HD2 LYS A 31 -7.849 -3.260 7.782 1.00 43.43 H new ATOM 0 HD3 LYS A 31 -6.701 -2.423 8.807 1.00 43.43 H new ATOM 0 HE2 LYS A 31 -6.375 -4.909 8.767 1.00 54.32 H new ATOM 0 HE3 LYS A 31 -6.626 -4.264 10.377 1.00 54.32 H new ATOM 0 HZ1 LYS A 31 -7.918 -6.341 9.689 1.00 42.53 H new ATOM 0 HZ2 LYS A 31 -8.778 -5.106 10.476 1.00 42.53 H new ATOM 0 HZ3 LYS A 31 -8.907 -5.291 8.793 1.00 42.53 H new ATOM 497 N ILE A 32 -9.327 -0.931 6.500 1.00 3.13 N ATOM 498 CA ILE A 32 -8.376 -0.187 5.684 1.00 41.33 C ATOM 499 C ILE A 32 -8.984 1.120 5.186 1.00 44.30 C ATOM 500 O ILE A 32 -8.298 2.138 5.088 1.00 2.03 O ATOM 501 CB ILE A 32 -7.905 -1.014 4.473 1.00 23.34 C ATOM 502 CG1 ILE A 32 -7.609 -2.455 4.897 1.00 40.42 C ATOM 503 CG2 ILE A 32 -6.674 -0.378 3.844 1.00 74.44 C ATOM 504 CD1 ILE A 32 -7.056 -3.311 3.780 1.00 60.44 C ATOM 0 H ILE A 32 -9.684 -1.781 6.063 1.00 3.13 H new ATOM 0 HA ILE A 32 -7.518 0.032 6.320 1.00 41.33 H new ATOM 0 HB ILE A 32 -8.702 -1.030 3.730 1.00 23.34 H new ATOM 0 HG12 ILE A 32 -6.897 -2.444 5.722 1.00 40.42 H new ATOM 0 HG13 ILE A 32 -8.525 -2.910 5.273 1.00 40.42 H new ATOM 0 HG21 ILE A 32 -6.353 -0.974 2.990 1.00 74.44 H new ATOM 0 HG22 ILE A 32 -6.916 0.632 3.512 1.00 74.44 H new ATOM 0 HG23 ILE A 32 -5.870 -0.336 4.579 1.00 74.44 H new ATOM 0 HD11 ILE A 32 -6.870 -4.319 4.152 1.00 60.44 H new ATOM 0 HD12 ILE A 32 -7.776 -3.353 2.963 1.00 60.44 H new ATOM 0 HD13 ILE A 32 -6.123 -2.879 3.419 1.00 60.44 H new ATOM 516 N ARG A 33 -10.275 1.085 4.874 1.00 11.12 N ATOM 517 CA ARG A 33 -10.976 2.267 4.387 1.00 1.12 C ATOM 518 C ARG A 33 -11.198 3.271 5.515 1.00 61.31 C ATOM 519 O ARG A 33 -11.419 4.457 5.269 1.00 34.43 O ATOM 520 CB ARG A 33 -12.319 1.872 3.770 1.00 22.21 C ATOM 521 CG ARG A 33 -13.142 3.057 3.293 1.00 71.13 C ATOM 522 CD ARG A 33 -14.033 2.680 2.120 1.00 74.32 C ATOM 523 NE ARG A 33 -15.357 3.290 2.219 1.00 25.34 N ATOM 524 CZ ARG A 33 -15.596 4.572 1.967 1.00 64.20 C ATOM 525 NH1 ARG A 33 -14.606 5.375 1.601 1.00 22.34 N ATOM 526 NH2 ARG A 33 -16.827 5.053 2.080 1.00 50.04 N ATOM 0 H ARG A 33 -10.857 0.251 4.950 1.00 11.12 H new ATOM 0 HA ARG A 33 -10.357 2.736 3.623 1.00 1.12 H new ATOM 0 HB2 ARG A 33 -12.140 1.203 2.929 1.00 22.21 H new ATOM 0 HB3 ARG A 33 -12.896 1.312 4.505 1.00 22.21 H new ATOM 0 HG2 ARG A 33 -13.756 3.429 4.113 1.00 71.13 H new ATOM 0 HG3 ARG A 33 -12.477 3.869 3.000 1.00 71.13 H new ATOM 0 HD2 ARG A 33 -13.559 2.992 1.190 1.00 74.32 H new ATOM 0 HD3 ARG A 33 -14.136 1.596 2.077 1.00 74.32 H new ATOM 0 HE ARG A 33 -16.141 2.699 2.497 1.00 25.34 H new ATOM 0 HH11 ARG A 33 -13.658 5.008 1.512 1.00 22.34 H new ATOM 0 HH12 ARG A 33 -14.792 6.359 1.408 1.00 22.34 H new ATOM 0 HH21 ARG A 33 -17.591 4.438 2.361 1.00 50.04 H new ATOM 0 HH22 ARG A 33 -17.010 6.038 1.886 1.00 50.04 H new ATOM 540 N ASP A 34 -11.138 2.787 6.751 1.00 64.14 N ATOM 541 CA ASP A 34 -11.331 3.641 7.917 1.00 54.25 C ATOM 542 C ASP A 34 -9.992 4.022 8.540 1.00 51.23 C ATOM 543 O ASP A 34 -9.944 4.631 9.610 1.00 63.24 O ATOM 544 CB ASP A 34 -12.208 2.935 8.952 1.00 3.45 C ATOM 545 CG ASP A 34 -13.650 2.810 8.502 1.00 63.33 C ATOM 546 OD1 ASP A 34 -13.896 2.862 7.278 1.00 30.23 O ATOM 547 OD2 ASP A 34 -14.532 2.658 9.372 1.00 1.22 O ATOM 0 H ASP A 34 -10.957 1.808 6.971 1.00 64.14 H new ATOM 0 HA ASP A 34 -11.831 4.553 7.590 1.00 54.25 H new ATOM 0 HB2 ASP A 34 -11.805 1.942 9.148 1.00 3.45 H new ATOM 0 HB3 ASP A 34 -12.170 3.486 9.892 1.00 3.45 H new ATOM 552 N LEU A 35 -8.907 3.659 7.865 1.00 41.42 N ATOM 553 CA LEU A 35 -7.566 3.962 8.353 1.00 42.24 C ATOM 554 C LEU A 35 -7.320 5.467 8.371 1.00 42.44 C ATOM 555 O LEU A 35 -8.002 6.241 7.698 1.00 63.23 O ATOM 556 CB LEU A 35 -6.516 3.273 7.479 1.00 74.22 C ATOM 557 CG LEU A 35 -6.201 1.818 7.830 1.00 54.34 C ATOM 558 CD1 LEU A 35 -5.270 1.209 6.794 1.00 44.05 C ATOM 559 CD2 LEU A 35 -5.590 1.725 9.220 1.00 43.41 C ATOM 0 H LEU A 35 -8.929 3.155 6.979 1.00 41.42 H new ATOM 0 HA LEU A 35 -7.484 3.587 9.373 1.00 42.24 H new ATOM 0 HB2 LEU A 35 -6.853 3.311 6.443 1.00 74.22 H new ATOM 0 HB3 LEU A 35 -5.592 3.848 7.535 1.00 74.22 H new ATOM 0 HG LEU A 35 -7.133 1.253 7.827 1.00 54.34 H new ATOM 0 HD11 LEU A 35 -5.057 0.174 7.060 1.00 44.05 H new ATOM 0 HD12 LEU A 35 -5.746 1.241 5.814 1.00 44.05 H new ATOM 0 HD13 LEU A 35 -4.339 1.775 6.764 1.00 44.05 H new ATOM 0 HD21 LEU A 35 -5.372 0.683 9.453 1.00 43.41 H new ATOM 0 HD22 LEU A 35 -4.667 2.304 9.251 1.00 43.41 H new ATOM 0 HD23 LEU A 35 -6.292 2.122 9.953 1.00 43.41 H new ATOM 571 N PRO A 36 -6.321 5.895 9.157 1.00 21.42 N ATOM 572 CA PRO A 36 -5.960 7.310 9.280 1.00 42.13 C ATOM 573 C PRO A 36 -5.323 7.858 8.007 1.00 12.11 C ATOM 574 O PRO A 36 -4.260 7.400 7.587 1.00 53.02 O ATOM 575 CB PRO A 36 -4.950 7.320 10.430 1.00 1.20 C ATOM 576 CG PRO A 36 -4.365 5.950 10.433 1.00 40.13 C ATOM 577 CD PRO A 36 -5.467 5.029 9.987 1.00 24.31 C ATOM 0 HA PRO A 36 -6.832 7.939 9.455 1.00 42.13 H new ATOM 0 HB2 PRO A 36 -4.182 8.078 10.276 1.00 1.20 H new ATOM 0 HB3 PRO A 36 -5.434 7.546 11.380 1.00 1.20 H new ATOM 0 HG2 PRO A 36 -3.509 5.889 9.760 1.00 40.13 H new ATOM 0 HG3 PRO A 36 -4.009 5.680 11.427 1.00 40.13 H new ATOM 0 HD2 PRO A 36 -5.079 4.184 9.419 1.00 24.31 H new ATOM 0 HD3 PRO A 36 -6.015 4.618 10.835 1.00 24.31 H new ATOM 585 N ILE A 37 -5.979 8.841 7.399 1.00 71.42 N ATOM 586 CA ILE A 37 -5.475 9.451 6.175 1.00 54.50 C ATOM 587 C ILE A 37 -4.215 10.266 6.445 1.00 24.55 C ATOM 588 O ILE A 37 -3.324 10.348 5.600 1.00 4.33 O ATOM 589 CB ILE A 37 -6.532 10.364 5.525 1.00 73.22 C ATOM 590 CG1 ILE A 37 -7.073 11.365 6.548 1.00 23.32 C ATOM 591 CG2 ILE A 37 -7.664 9.531 4.942 1.00 51.04 C ATOM 592 CD1 ILE A 37 -8.035 12.372 5.958 1.00 22.04 C ATOM 0 H ILE A 37 -6.860 9.232 7.734 1.00 71.42 H new ATOM 0 HA ILE A 37 -5.239 8.636 5.491 1.00 54.50 H new ATOM 0 HB ILE A 37 -6.061 10.921 4.715 1.00 73.22 H new ATOM 0 HG12 ILE A 37 -7.575 10.820 7.347 1.00 23.32 H new ATOM 0 HG13 ILE A 37 -6.236 11.896 7.002 1.00 23.32 H new ATOM 0 HG21 ILE A 37 -8.403 10.190 4.486 1.00 51.04 H new ATOM 0 HG22 ILE A 37 -7.266 8.854 4.186 1.00 51.04 H new ATOM 0 HG23 ILE A 37 -8.135 8.951 5.736 1.00 51.04 H new ATOM 0 HD11 ILE A 37 -8.378 13.049 6.740 1.00 22.04 H new ATOM 0 HD12 ILE A 37 -7.531 12.943 5.179 1.00 22.04 H new ATOM 0 HD13 ILE A 37 -8.891 11.850 5.529 1.00 22.04 H new ATOM 604 N SER A 38 -4.146 10.864 7.630 1.00 30.14 N ATOM 605 CA SER A 38 -2.995 11.673 8.012 1.00 0.54 C ATOM 606 C SER A 38 -1.755 10.803 8.193 1.00 1.45 C ATOM 607 O SER A 38 -0.625 11.290 8.128 1.00 13.45 O ATOM 608 CB SER A 38 -3.289 12.438 9.305 1.00 63.22 C ATOM 609 OG SER A 38 -4.039 11.644 10.208 1.00 61.25 O ATOM 0 H SER A 38 -4.874 10.803 8.342 1.00 30.14 H new ATOM 0 HA SER A 38 -2.802 12.387 7.211 1.00 0.54 H new ATOM 0 HB2 SER A 38 -2.352 12.740 9.773 1.00 63.22 H new ATOM 0 HB3 SER A 38 -3.839 13.350 9.074 1.00 63.22 H new ATOM 0 HG SER A 38 -4.212 12.155 11.026 1.00 61.25 H new ATOM 615 N LEU A 39 -1.974 9.513 8.421 1.00 64.00 N ATOM 616 CA LEU A 39 -0.875 8.573 8.612 1.00 63.33 C ATOM 617 C LEU A 39 -0.154 8.302 7.295 1.00 54.54 C ATOM 618 O LEU A 39 1.041 8.009 7.278 1.00 62.24 O ATOM 619 CB LEU A 39 -1.397 7.260 9.199 1.00 5.34 C ATOM 620 CG LEU A 39 -0.486 6.572 10.217 1.00 72.53 C ATOM 621 CD1 LEU A 39 -1.309 5.955 11.337 1.00 24.05 C ATOM 622 CD2 LEU A 39 0.369 5.513 9.536 1.00 63.00 C ATOM 0 H LEU A 39 -2.902 9.094 8.478 1.00 64.00 H new ATOM 0 HA LEU A 39 -0.165 9.020 9.309 1.00 63.33 H new ATOM 0 HB2 LEU A 39 -2.358 7.454 9.674 1.00 5.34 H new ATOM 0 HB3 LEU A 39 -1.581 6.566 8.379 1.00 5.34 H new ATOM 0 HG LEU A 39 0.176 7.322 10.650 1.00 72.53 H new ATOM 0 HD11 LEU A 39 -0.645 5.470 12.052 1.00 24.05 H new ATOM 0 HD12 LEU A 39 -1.878 6.735 11.842 1.00 24.05 H new ATOM 0 HD13 LEU A 39 -1.995 5.217 10.921 1.00 24.05 H new ATOM 0 HD21 LEU A 39 1.011 5.033 10.275 1.00 63.00 H new ATOM 0 HD22 LEU A 39 -0.276 4.765 9.076 1.00 63.00 H new ATOM 0 HD23 LEU A 39 0.986 5.981 8.769 1.00 63.00 H new ATOM 634 N PHE A 40 -0.889 8.406 6.192 1.00 33.23 N ATOM 635 CA PHE A 40 -0.320 8.174 4.870 1.00 75.23 C ATOM 636 C PHE A 40 -0.497 9.400 3.979 1.00 74.01 C ATOM 637 O PHE A 40 -1.620 9.827 3.708 1.00 61.34 O ATOM 638 CB PHE A 40 -0.976 6.956 4.216 1.00 61.41 C ATOM 639 CG PHE A 40 -1.220 5.822 5.170 1.00 34.13 C ATOM 640 CD1 PHE A 40 -2.386 5.767 5.917 1.00 33.21 C ATOM 641 CD2 PHE A 40 -0.285 4.811 5.320 1.00 2.25 C ATOM 642 CE1 PHE A 40 -2.613 4.725 6.797 1.00 53.24 C ATOM 643 CE2 PHE A 40 -0.506 3.767 6.198 1.00 34.32 C ATOM 644 CZ PHE A 40 -1.673 3.723 6.936 1.00 2.25 C ATOM 0 H PHE A 40 -1.880 8.649 6.188 1.00 33.23 H new ATOM 0 HA PHE A 40 0.747 7.984 4.989 1.00 75.23 H new ATOM 0 HB2 PHE A 40 -1.925 7.258 3.773 1.00 61.41 H new ATOM 0 HB3 PHE A 40 -0.342 6.605 3.402 1.00 61.41 H new ATOM 0 HD1 PHE A 40 -3.126 6.547 5.811 1.00 33.21 H new ATOM 0 HD2 PHE A 40 0.628 4.839 4.744 1.00 2.25 H new ATOM 0 HE1 PHE A 40 -3.525 4.695 7.375 1.00 53.24 H new ATOM 0 HE2 PHE A 40 0.233 2.987 6.307 1.00 34.32 H new ATOM 0 HZ PHE A 40 -1.850 2.906 7.620 1.00 2.25 H new ATOM 654 N ASP A 41 0.619 9.962 3.528 1.00 74.22 N ATOM 655 CA ASP A 41 0.588 11.139 2.667 1.00 24.32 C ATOM 656 C ASP A 41 -0.262 10.883 1.427 1.00 64.05 C ATOM 657 O ASP A 41 -0.772 11.817 0.808 1.00 13.21 O ATOM 658 CB ASP A 41 2.008 11.533 2.256 1.00 71.42 C ATOM 659 CG ASP A 41 2.270 13.016 2.428 1.00 71.11 C ATOM 660 OD1 ASP A 41 1.407 13.822 2.020 1.00 25.53 O ATOM 661 OD2 ASP A 41 3.338 13.371 2.969 1.00 10.24 O ATOM 0 H ASP A 41 1.556 9.622 3.744 1.00 74.22 H new ATOM 0 HA ASP A 41 0.140 11.959 3.229 1.00 24.32 H new ATOM 0 HB2 ASP A 41 2.725 10.969 2.852 1.00 71.42 H new ATOM 0 HB3 ASP A 41 2.172 11.257 1.214 1.00 71.42 H new ATOM 666 N TYR A 42 -0.408 9.612 1.068 1.00 50.42 N ATOM 667 CA TYR A 42 -1.193 9.234 -0.101 1.00 70.12 C ATOM 668 C TYR A 42 -1.886 7.892 0.119 1.00 45.43 C ATOM 669 O TYR A 42 -1.240 6.890 0.428 1.00 51.44 O ATOM 670 CB TYR A 42 -0.299 9.162 -1.340 1.00 72.04 C ATOM 671 CG TYR A 42 -1.038 8.764 -2.598 1.00 14.11 C ATOM 672 CD1 TYR A 42 -2.309 9.258 -2.865 1.00 75.35 C ATOM 673 CD2 TYR A 42 -0.467 7.894 -3.518 1.00 3.11 C ATOM 674 CE1 TYR A 42 -2.989 8.897 -4.013 1.00 31.52 C ATOM 675 CE2 TYR A 42 -1.138 7.529 -4.668 1.00 72.44 C ATOM 676 CZ TYR A 42 -2.399 8.032 -4.911 1.00 51.23 C ATOM 677 OH TYR A 42 -3.072 7.669 -6.055 1.00 40.55 O ATOM 0 H TYR A 42 0.007 8.827 1.570 1.00 50.42 H new ATOM 0 HA TYR A 42 -1.957 9.996 -0.256 1.00 70.12 H new ATOM 0 HB2 TYR A 42 0.170 10.133 -1.496 1.00 72.04 H new ATOM 0 HB3 TYR A 42 0.503 8.446 -1.158 1.00 72.04 H new ATOM 0 HD1 TYR A 42 -2.773 9.935 -2.164 1.00 75.35 H new ATOM 0 HD2 TYR A 42 0.519 7.496 -3.330 1.00 3.11 H new ATOM 0 HE1 TYR A 42 -3.976 9.290 -4.206 1.00 31.52 H new ATOM 0 HE2 TYR A 42 -0.678 6.853 -5.374 1.00 72.44 H new ATOM 0 HH TYR A 42 -4.019 7.906 -5.967 1.00 40.55 H new ATOM 687 N PHE A 43 -3.204 7.881 -0.043 1.00 54.34 N ATOM 688 CA PHE A 43 -3.987 6.664 0.137 1.00 23.13 C ATOM 689 C PHE A 43 -4.969 6.472 -1.015 1.00 3.43 C ATOM 690 O PHE A 43 -5.887 7.271 -1.200 1.00 53.23 O ATOM 691 CB PHE A 43 -4.744 6.712 1.466 1.00 74.33 C ATOM 692 CG PHE A 43 -4.843 5.377 2.148 1.00 2.31 C ATOM 693 CD1 PHE A 43 -4.756 4.203 1.418 1.00 24.12 C ATOM 694 CD2 PHE A 43 -5.023 5.297 3.520 1.00 51.54 C ATOM 695 CE1 PHE A 43 -4.845 2.973 2.043 1.00 13.31 C ATOM 696 CE2 PHE A 43 -5.113 4.071 4.150 1.00 31.20 C ATOM 697 CZ PHE A 43 -5.025 2.907 3.411 1.00 54.42 C ATOM 0 H PHE A 43 -3.753 8.702 -0.299 1.00 54.34 H new ATOM 0 HA PHE A 43 -3.300 5.818 0.148 1.00 23.13 H new ATOM 0 HB2 PHE A 43 -4.246 7.416 2.133 1.00 74.33 H new ATOM 0 HB3 PHE A 43 -5.749 7.096 1.289 1.00 74.33 H new ATOM 0 HD1 PHE A 43 -4.617 4.249 0.348 1.00 24.12 H new ATOM 0 HD2 PHE A 43 -5.094 6.203 4.103 1.00 51.54 H new ATOM 0 HE1 PHE A 43 -4.774 2.065 1.463 1.00 13.31 H new ATOM 0 HE2 PHE A 43 -5.252 4.022 5.220 1.00 31.20 H new ATOM 0 HZ PHE A 43 -5.097 1.948 3.902 1.00 54.42 H new ATOM 707 N ILE A 44 -4.767 5.409 -1.785 1.00 73.13 N ATOM 708 CA ILE A 44 -5.635 5.112 -2.919 1.00 24.04 C ATOM 709 C ILE A 44 -5.965 3.625 -2.983 1.00 71.30 C ATOM 710 O ILE A 44 -5.079 2.788 -3.158 1.00 33.20 O ATOM 711 CB ILE A 44 -4.989 5.541 -4.249 1.00 62.03 C ATOM 712 CG1 ILE A 44 -5.744 4.926 -5.429 1.00 51.24 C ATOM 713 CG2 ILE A 44 -3.523 5.135 -4.282 1.00 30.31 C ATOM 714 CD1 ILE A 44 -5.864 5.853 -6.619 1.00 64.10 C ATOM 0 H ILE A 44 -4.011 4.739 -1.645 1.00 73.13 H new ATOM 0 HA ILE A 44 -6.554 5.680 -2.771 1.00 24.04 H new ATOM 0 HB ILE A 44 -5.047 6.626 -4.330 1.00 62.03 H new ATOM 0 HG12 ILE A 44 -5.235 4.013 -5.739 1.00 51.24 H new ATOM 0 HG13 ILE A 44 -6.743 4.638 -5.101 1.00 51.24 H new ATOM 0 HG21 ILE A 44 -3.081 5.445 -5.229 1.00 30.31 H new ATOM 0 HG22 ILE A 44 -2.994 5.616 -3.459 1.00 30.31 H new ATOM 0 HG23 ILE A 44 -3.443 4.053 -4.182 1.00 30.31 H new ATOM 0 HD11 ILE A 44 -6.410 5.351 -7.418 1.00 64.10 H new ATOM 0 HD12 ILE A 44 -6.399 6.756 -6.325 1.00 64.10 H new ATOM 0 HD13 ILE A 44 -4.869 6.121 -6.973 1.00 64.10 H new ATOM 726 N VAL A 45 -7.247 3.302 -2.842 1.00 40.32 N ATOM 727 CA VAL A 45 -7.696 1.916 -2.887 1.00 60.13 C ATOM 728 C VAL A 45 -8.722 1.706 -3.995 1.00 14.41 C ATOM 729 O VAL A 45 -9.443 2.630 -4.370 1.00 73.13 O ATOM 730 CB VAL A 45 -8.311 1.481 -1.544 1.00 23.03 C ATOM 731 CG1 VAL A 45 -8.315 -0.035 -1.424 1.00 74.43 C ATOM 732 CG2 VAL A 45 -7.556 2.113 -0.384 1.00 14.03 C ATOM 0 H VAL A 45 -7.993 3.982 -2.696 1.00 40.32 H new ATOM 0 HA VAL A 45 -6.816 1.305 -3.090 1.00 60.13 H new ATOM 0 HB VAL A 45 -9.344 1.827 -1.508 1.00 23.03 H new ATOM 0 HG11 VAL A 45 -8.753 -0.323 -0.469 1.00 74.43 H new ATOM 0 HG12 VAL A 45 -8.902 -0.463 -2.236 1.00 74.43 H new ATOM 0 HG13 VAL A 45 -7.292 -0.407 -1.481 1.00 74.43 H new ATOM 0 HG21 VAL A 45 -8.004 1.795 0.558 1.00 14.03 H new ATOM 0 HG22 VAL A 45 -6.513 1.798 -0.414 1.00 14.03 H new ATOM 0 HG23 VAL A 45 -7.610 3.199 -0.463 1.00 14.03 H new ATOM 742 N GLY A 46 -8.783 0.484 -4.515 1.00 14.04 N ATOM 743 CA GLY A 46 -9.725 0.175 -5.574 1.00 73.43 C ATOM 744 C GLY A 46 -10.167 -1.275 -5.553 1.00 25.42 C ATOM 745 O GLY A 46 -9.336 -2.183 -5.529 1.00 3.34 O ATOM 0 H GLY A 46 -8.197 -0.297 -4.222 1.00 14.04 H new ATOM 0 HA2 GLY A 46 -10.599 0.819 -5.478 1.00 73.43 H new ATOM 0 HA3 GLY A 46 -9.269 0.398 -6.538 1.00 73.43 H new ATOM 749 N GLU A 47 -11.478 -1.494 -5.560 1.00 1.41 N ATOM 750 CA GLU A 47 -12.027 -2.844 -5.538 1.00 61.33 C ATOM 751 C GLU A 47 -12.196 -3.386 -6.955 1.00 44.31 C ATOM 752 O GLU A 47 -12.707 -2.696 -7.837 1.00 22.13 O ATOM 753 CB GLU A 47 -13.373 -2.860 -4.811 1.00 20.01 C ATOM 754 CG GLU A 47 -14.067 -4.211 -4.844 1.00 72.24 C ATOM 755 CD GLU A 47 -14.288 -4.788 -3.460 1.00 31.14 C ATOM 756 OE1 GLU A 47 -13.449 -4.536 -2.570 1.00 41.52 O ATOM 757 OE2 GLU A 47 -15.301 -5.492 -3.266 1.00 32.23 O ATOM 0 H GLU A 47 -12.179 -0.754 -5.581 1.00 1.41 H new ATOM 0 HA GLU A 47 -11.326 -3.485 -5.003 1.00 61.33 H new ATOM 0 HB2 GLU A 47 -13.219 -2.565 -3.773 1.00 20.01 H new ATOM 0 HB3 GLU A 47 -14.028 -2.114 -5.260 1.00 20.01 H new ATOM 0 HG2 GLU A 47 -15.028 -4.109 -5.349 1.00 72.24 H new ATOM 0 HG3 GLU A 47 -13.470 -4.907 -5.433 1.00 72.24 H new ATOM 764 N GLU A 48 -11.761 -4.625 -7.165 1.00 14.44 N ATOM 765 CA GLU A 48 -11.863 -5.258 -8.474 1.00 51.31 C ATOM 766 C GLU A 48 -12.765 -6.487 -8.415 1.00 72.15 C ATOM 767 O GLU A 48 -12.385 -7.524 -7.873 1.00 74.03 O ATOM 768 CB GLU A 48 -10.475 -5.654 -8.983 1.00 14.30 C ATOM 769 CG GLU A 48 -10.506 -6.451 -10.276 1.00 20.31 C ATOM 770 CD GLU A 48 -11.120 -5.676 -11.425 1.00 75.12 C ATOM 771 OE1 GLU A 48 -10.454 -4.755 -11.942 1.00 62.34 O ATOM 772 OE2 GLU A 48 -12.267 -5.990 -11.807 1.00 51.41 O ATOM 0 H GLU A 48 -11.335 -5.209 -6.446 1.00 14.44 H new ATOM 0 HA GLU A 48 -12.303 -4.538 -9.164 1.00 51.31 H new ATOM 0 HB2 GLU A 48 -9.882 -4.752 -9.136 1.00 14.30 H new ATOM 0 HB3 GLU A 48 -9.970 -6.241 -8.216 1.00 14.30 H new ATOM 0 HG2 GLU A 48 -9.490 -6.744 -10.542 1.00 20.31 H new ATOM 0 HG3 GLU A 48 -11.072 -7.369 -10.119 1.00 20.31 H new ATOM 779 N GLY A 49 -13.964 -6.362 -8.978 1.00 24.11 N ATOM 780 CA GLY A 49 -14.902 -7.469 -8.979 1.00 21.15 C ATOM 781 C GLY A 49 -16.255 -7.082 -9.540 1.00 54.35 C ATOM 782 O GLY A 49 -17.287 -7.576 -9.088 1.00 51.11 O ATOM 0 H GLY A 49 -14.302 -5.514 -9.433 1.00 24.11 H new ATOM 0 HA2 GLY A 49 -14.490 -8.290 -9.566 1.00 21.15 H new ATOM 0 HA3 GLY A 49 -15.026 -7.837 -7.960 1.00 21.15 H new ATOM 786 N ASN A 50 -16.252 -6.193 -10.529 1.00 24.11 N ATOM 787 CA ASN A 50 -17.489 -5.738 -11.152 1.00 11.31 C ATOM 788 C ASN A 50 -17.759 -6.499 -12.446 1.00 61.11 C ATOM 789 O ASN A 50 -18.221 -5.924 -13.431 1.00 13.03 O ATOM 790 CB ASN A 50 -17.419 -4.236 -11.436 1.00 0.23 C ATOM 791 CG ASN A 50 -18.722 -3.526 -11.121 1.00 22.44 C ATOM 792 OD1 ASN A 50 -19.498 -3.202 -12.020 1.00 3.45 O ATOM 793 ND2 ASN A 50 -18.967 -3.282 -9.839 1.00 33.44 N ATOM 0 H ASN A 50 -15.406 -5.774 -10.916 1.00 24.11 H new ATOM 0 HA ASN A 50 -18.308 -5.933 -10.459 1.00 11.31 H new ATOM 0 HB2 ASN A 50 -16.616 -3.795 -10.846 1.00 0.23 H new ATOM 0 HB3 ASN A 50 -17.167 -4.079 -12.485 1.00 0.23 H new ATOM 0 HD21 ASN A 50 -19.828 -2.808 -9.566 1.00 33.44 H new ATOM 0 HD22 ASN A 50 -18.295 -3.569 -9.128 1.00 33.44 H new ATOM 800 N GLU A 51 -17.467 -7.796 -12.435 1.00 60.02 N ATOM 801 CA GLU A 51 -17.678 -8.636 -13.609 1.00 11.35 C ATOM 802 C GLU A 51 -18.238 -9.998 -13.209 1.00 53.20 C ATOM 803 O GLU A 51 -17.617 -10.736 -12.445 1.00 42.42 O ATOM 804 CB GLU A 51 -16.367 -8.816 -14.376 1.00 71.54 C ATOM 805 CG GLU A 51 -16.505 -8.605 -15.875 1.00 11.23 C ATOM 806 CD GLU A 51 -15.166 -8.567 -16.584 1.00 64.24 C ATOM 807 OE1 GLU A 51 -14.582 -9.649 -16.806 1.00 40.24 O ATOM 808 OE2 GLU A 51 -14.701 -7.457 -16.917 1.00 60.15 O ATOM 0 H GLU A 51 -17.084 -8.288 -11.627 1.00 60.02 H new ATOM 0 HA GLU A 51 -18.403 -8.140 -14.255 1.00 11.35 H new ATOM 0 HB2 GLU A 51 -15.628 -8.116 -13.986 1.00 71.54 H new ATOM 0 HB3 GLU A 51 -15.983 -9.820 -14.193 1.00 71.54 H new ATOM 0 HG2 GLU A 51 -17.112 -9.406 -16.296 1.00 11.23 H new ATOM 0 HG3 GLU A 51 -17.036 -7.671 -16.059 1.00 11.23 H new ATOM 815 N GLU A 52 -19.417 -10.323 -13.731 1.00 42.14 N ATOM 816 CA GLU A 52 -20.061 -11.595 -13.428 1.00 72.20 C ATOM 817 C GLU A 52 -19.113 -12.762 -13.690 1.00 42.41 C ATOM 818 O GLU A 52 -18.316 -12.730 -14.627 1.00 54.12 O ATOM 819 CB GLU A 52 -21.333 -11.760 -14.263 1.00 22.11 C ATOM 820 CG GLU A 52 -22.564 -12.096 -13.438 1.00 4.14 C ATOM 821 CD GLU A 52 -23.849 -11.976 -14.232 1.00 74.24 C ATOM 822 OE1 GLU A 52 -23.964 -11.026 -15.035 1.00 63.21 O ATOM 823 OE2 GLU A 52 -24.741 -12.832 -14.052 1.00 0.41 O ATOM 0 H GLU A 52 -19.945 -9.723 -14.365 1.00 42.14 H new ATOM 0 HA GLU A 52 -20.326 -11.595 -12.371 1.00 72.20 H new ATOM 0 HB2 GLU A 52 -21.517 -10.839 -14.815 1.00 22.11 H new ATOM 0 HB3 GLU A 52 -21.174 -12.547 -15.000 1.00 22.11 H new ATOM 0 HG2 GLU A 52 -22.473 -13.112 -13.053 1.00 4.14 H new ATOM 0 HG3 GLU A 52 -22.611 -11.431 -12.575 1.00 4.14 H new ATOM 830 N GLY A 53 -19.205 -13.791 -12.854 1.00 23.14 N ATOM 831 CA GLY A 53 -18.349 -14.953 -13.010 1.00 75.04 C ATOM 832 C GLY A 53 -17.069 -14.843 -12.207 1.00 42.10 C ATOM 833 O GLY A 53 -16.401 -15.845 -11.951 1.00 1.13 O ATOM 0 H GLY A 53 -19.857 -13.841 -12.071 1.00 23.14 H new ATOM 0 HA2 GLY A 53 -18.893 -15.845 -12.700 1.00 75.04 H new ATOM 0 HA3 GLY A 53 -18.103 -15.080 -14.064 1.00 75.04 H new ATOM 837 N ARG A 54 -16.724 -13.622 -11.810 1.00 72.31 N ATOM 838 CA ARG A 54 -15.513 -13.385 -11.034 1.00 12.23 C ATOM 839 C ARG A 54 -15.856 -12.947 -9.613 1.00 24.34 C ATOM 840 O ARG A 54 -16.962 -12.476 -9.345 1.00 64.22 O ATOM 841 CB ARG A 54 -14.648 -12.321 -11.712 1.00 23.23 C ATOM 842 CG ARG A 54 -13.229 -12.254 -11.170 1.00 31.30 C ATOM 843 CD ARG A 54 -12.251 -11.770 -12.229 1.00 23.42 C ATOM 844 NE ARG A 54 -11.881 -12.834 -13.159 1.00 2.30 N ATOM 845 CZ ARG A 54 -10.961 -13.755 -12.894 1.00 12.00 C ATOM 846 NH1 ARG A 54 -10.322 -13.743 -11.733 1.00 21.45 N ATOM 847 NH2 ARG A 54 -10.680 -14.691 -13.792 1.00 1.23 N ATOM 0 H ARG A 54 -17.266 -12.782 -12.013 1.00 72.31 H new ATOM 0 HA ARG A 54 -14.954 -14.320 -10.983 1.00 12.23 H new ATOM 0 HB2 ARG A 54 -14.610 -12.524 -12.782 1.00 23.23 H new ATOM 0 HB3 ARG A 54 -15.122 -11.347 -11.589 1.00 23.23 H new ATOM 0 HG2 ARG A 54 -13.198 -11.584 -10.311 1.00 31.30 H new ATOM 0 HG3 ARG A 54 -12.926 -13.240 -10.817 1.00 31.30 H new ATOM 0 HD2 ARG A 54 -12.696 -10.943 -12.783 1.00 23.42 H new ATOM 0 HD3 ARG A 54 -11.354 -11.384 -11.745 1.00 23.42 H new ATOM 0 HE ARG A 54 -12.355 -12.872 -14.061 1.00 2.30 H new ATOM 0 HH11 ARG A 54 -10.536 -13.025 -11.040 1.00 21.45 H new ATOM 0 HH12 ARG A 54 -9.616 -14.451 -11.532 1.00 21.45 H new ATOM 0 HH21 ARG A 54 -11.171 -14.703 -14.686 1.00 1.23 H new ATOM 0 HH22 ARG A 54 -9.974 -15.398 -13.588 1.00 1.23 H new ATOM 861 N THR A 55 -14.899 -13.107 -8.703 1.00 51.41 N ATOM 862 CA THR A 55 -15.099 -12.730 -7.309 1.00 72.14 C ATOM 863 C THR A 55 -14.435 -11.393 -7.000 1.00 62.42 C ATOM 864 O THR A 55 -13.525 -10.948 -7.700 1.00 74.15 O ATOM 865 CB THR A 55 -14.542 -13.801 -6.353 1.00 0.04 C ATOM 866 OG1 THR A 55 -13.659 -14.679 -7.060 1.00 51.43 O ATOM 867 CG2 THR A 55 -15.670 -14.606 -5.725 1.00 71.04 C ATOM 0 H THR A 55 -13.978 -13.495 -8.907 1.00 51.41 H new ATOM 0 HA THR A 55 -16.175 -12.641 -7.156 1.00 72.14 H new ATOM 0 HB THR A 55 -13.992 -13.296 -5.559 1.00 0.04 H new ATOM 0 HG1 THR A 55 -13.308 -15.356 -6.444 1.00 51.43 H new ATOM 0 HG21 THR A 55 -15.252 -15.356 -5.054 1.00 71.04 H new ATOM 0 HG22 THR A 55 -16.323 -13.939 -5.162 1.00 71.04 H new ATOM 0 HG23 THR A 55 -16.244 -15.100 -6.509 1.00 71.04 H new ATOM 875 N PRO A 56 -14.897 -10.736 -5.926 1.00 71.50 N ATOM 876 CA PRO A 56 -14.360 -9.441 -5.499 1.00 33.02 C ATOM 877 C PRO A 56 -12.945 -9.555 -4.942 1.00 53.01 C ATOM 878 O PRO A 56 -12.628 -10.496 -4.214 1.00 64.34 O ATOM 879 CB PRO A 56 -15.332 -8.998 -4.402 1.00 73.43 C ATOM 880 CG PRO A 56 -15.912 -10.266 -3.876 1.00 4.25 C ATOM 881 CD PRO A 56 -15.979 -11.208 -5.045 1.00 70.14 C ATOM 0 HA PRO A 56 -14.283 -8.738 -6.329 1.00 33.02 H new ATOM 0 HB2 PRO A 56 -14.818 -8.443 -3.618 1.00 73.43 H new ATOM 0 HB3 PRO A 56 -16.107 -8.343 -4.800 1.00 73.43 H new ATOM 0 HG2 PRO A 56 -15.293 -10.677 -3.079 1.00 4.25 H new ATOM 0 HG3 PRO A 56 -16.903 -10.096 -3.454 1.00 4.25 H new ATOM 0 HD2 PRO A 56 -15.824 -12.242 -4.737 1.00 70.14 H new ATOM 0 HD3 PRO A 56 -16.949 -11.165 -5.541 1.00 70.14 H new ATOM 889 N HIS A 57 -12.099 -8.590 -5.288 1.00 64.41 N ATOM 890 CA HIS A 57 -10.717 -8.582 -4.821 1.00 63.44 C ATOM 891 C HIS A 57 -10.272 -7.167 -4.465 1.00 21.23 C ATOM 892 O HIS A 57 -10.608 -6.206 -5.158 1.00 61.22 O ATOM 893 CB HIS A 57 -9.792 -9.166 -5.890 1.00 21.11 C ATOM 894 CG HIS A 57 -8.337 -9.043 -5.555 1.00 73.12 C ATOM 895 ND1 HIS A 57 -7.600 -10.074 -5.011 1.00 15.31 N ATOM 896 CD2 HIS A 57 -7.482 -8.003 -5.692 1.00 52.24 C ATOM 897 CE1 HIS A 57 -6.356 -9.672 -4.826 1.00 64.30 C ATOM 898 NE2 HIS A 57 -6.257 -8.419 -5.232 1.00 33.20 N ATOM 0 H HIS A 57 -12.346 -7.804 -5.890 1.00 64.41 H new ATOM 0 HA HIS A 57 -10.659 -9.199 -3.924 1.00 63.44 H new ATOM 0 HB2 HIS A 57 -10.036 -10.219 -6.034 1.00 21.11 H new ATOM 0 HB3 HIS A 57 -9.982 -8.662 -6.838 1.00 21.11 H new ATOM 0 HD1 HIS A 57 -7.960 -11.002 -4.787 1.00 15.31 H new ATOM 0 HD2 HIS A 57 -7.719 -7.027 -6.089 1.00 52.24 H new ATOM 0 HE1 HIS A 57 -5.555 -10.267 -4.413 1.00 64.30 H new ATOM 906 N LEU A 58 -9.516 -7.046 -3.379 1.00 44.04 N ATOM 907 CA LEU A 58 -9.025 -5.748 -2.930 1.00 10.23 C ATOM 908 C LEU A 58 -7.632 -5.470 -3.485 1.00 23.12 C ATOM 909 O LEU A 58 -6.753 -6.331 -3.440 1.00 10.55 O ATOM 910 CB LEU A 58 -8.998 -5.692 -1.401 1.00 61.23 C ATOM 911 CG LEU A 58 -9.606 -4.442 -0.764 1.00 73.42 C ATOM 912 CD1 LEU A 58 -9.368 -4.439 0.738 1.00 43.23 C ATOM 913 CD2 LEU A 58 -9.031 -3.185 -1.401 1.00 21.55 C ATOM 0 H LEU A 58 -9.230 -7.831 -2.793 1.00 44.04 H new ATOM 0 HA LEU A 58 -9.704 -4.982 -3.304 1.00 10.23 H new ATOM 0 HB2 LEU A 58 -9.526 -6.565 -1.016 1.00 61.23 H new ATOM 0 HB3 LEU A 58 -7.962 -5.775 -1.073 1.00 61.23 H new ATOM 0 HG LEU A 58 -10.682 -4.454 -0.940 1.00 73.42 H new ATOM 0 HD11 LEU A 58 -9.808 -3.542 1.174 1.00 43.23 H new ATOM 0 HD12 LEU A 58 -9.829 -5.322 1.181 1.00 43.23 H new ATOM 0 HD13 LEU A 58 -8.296 -4.451 0.937 1.00 43.23 H new ATOM 0 HD21 LEU A 58 -9.475 -2.305 -0.935 1.00 21.55 H new ATOM 0 HD22 LEU A 58 -7.951 -3.166 -1.257 1.00 21.55 H new ATOM 0 HD23 LEU A 58 -9.255 -3.183 -2.468 1.00 21.55 H new ATOM 925 N GLN A 59 -7.438 -4.263 -4.006 1.00 4.11 N ATOM 926 CA GLN A 59 -6.150 -3.872 -4.568 1.00 73.01 C ATOM 927 C GLN A 59 -5.961 -2.360 -4.495 1.00 70.45 C ATOM 928 O GLN A 59 -6.648 -1.605 -5.181 1.00 53.03 O ATOM 929 CB GLN A 59 -6.040 -4.343 -6.019 1.00 43.44 C ATOM 930 CG GLN A 59 -4.878 -3.717 -6.775 1.00 33.21 C ATOM 931 CD GLN A 59 -3.531 -4.098 -6.194 1.00 30.34 C ATOM 932 OE1 GLN A 59 -2.940 -5.108 -6.577 1.00 44.12 O ATOM 933 NE2 GLN A 59 -3.038 -3.290 -5.262 1.00 62.34 N ATOM 0 H GLN A 59 -8.155 -3.539 -4.051 1.00 4.11 H new ATOM 0 HA GLN A 59 -5.365 -4.346 -3.979 1.00 73.01 H new ATOM 0 HB2 GLN A 59 -5.930 -5.427 -6.033 1.00 43.44 H new ATOM 0 HB3 GLN A 59 -6.969 -4.110 -6.539 1.00 43.44 H new ATOM 0 HG2 GLN A 59 -4.920 -4.027 -7.819 1.00 33.21 H new ATOM 0 HG3 GLN A 59 -4.982 -2.632 -6.760 1.00 33.21 H new ATOM 0 HE21 GLN A 59 -3.562 -2.463 -4.975 1.00 62.34 H new ATOM 0 HE22 GLN A 59 -2.135 -3.496 -4.834 1.00 62.34 H new ATOM 942 N GLY A 60 -5.024 -1.926 -3.659 1.00 4.34 N ATOM 943 CA GLY A 60 -4.761 -0.506 -3.511 1.00 52.04 C ATOM 944 C GLY A 60 -3.337 -0.222 -3.077 1.00 51.42 C ATOM 945 O GLY A 60 -2.578 -1.142 -2.772 1.00 43.45 O ATOM 0 H GLY A 60 -4.442 -2.532 -3.081 1.00 4.34 H new ATOM 0 HA2 GLY A 60 -4.956 -0.003 -4.458 1.00 52.04 H new ATOM 0 HA3 GLY A 60 -5.451 -0.086 -2.779 1.00 52.04 H new ATOM 949 N PHE A 61 -2.972 1.056 -3.050 1.00 74.00 N ATOM 950 CA PHE A 61 -1.628 1.459 -2.653 1.00 15.14 C ATOM 951 C PHE A 61 -1.680 2.577 -1.616 1.00 14.52 C ATOM 952 O PHE A 61 -2.508 3.484 -1.706 1.00 45.21 O ATOM 953 CB PHE A 61 -0.828 1.917 -3.874 1.00 14.23 C ATOM 954 CG PHE A 61 0.416 2.682 -3.523 1.00 32.12 C ATOM 955 CD1 PHE A 61 1.390 2.114 -2.718 1.00 31.24 C ATOM 956 CD2 PHE A 61 0.612 3.968 -3.999 1.00 13.34 C ATOM 957 CE1 PHE A 61 2.535 2.816 -2.393 1.00 23.44 C ATOM 958 CE2 PHE A 61 1.755 4.675 -3.677 1.00 64.12 C ATOM 959 CZ PHE A 61 2.719 4.097 -2.874 1.00 11.20 C ATOM 0 H PHE A 61 -3.588 1.830 -3.298 1.00 74.00 H new ATOM 0 HA PHE A 61 -1.134 0.596 -2.207 1.00 15.14 H new ATOM 0 HB2 PHE A 61 -0.553 1.044 -4.467 1.00 14.23 H new ATOM 0 HB3 PHE A 61 -1.464 2.541 -4.502 1.00 14.23 H new ATOM 0 HD1 PHE A 61 1.253 1.112 -2.340 1.00 31.24 H new ATOM 0 HD2 PHE A 61 -0.137 4.424 -4.629 1.00 13.34 H new ATOM 0 HE1 PHE A 61 3.286 2.363 -1.763 1.00 23.44 H new ATOM 0 HE2 PHE A 61 1.894 5.678 -4.053 1.00 64.12 H new ATOM 0 HZ PHE A 61 3.615 4.646 -2.623 1.00 11.20 H new ATOM 969 N ALA A 62 -0.791 2.505 -0.631 1.00 41.00 N ATOM 970 CA ALA A 62 -0.734 3.511 0.422 1.00 23.13 C ATOM 971 C ALA A 62 0.704 3.943 0.691 1.00 12.21 C ATOM 972 O ALA A 62 1.574 3.112 0.949 1.00 15.52 O ATOM 973 CB ALA A 62 -1.374 2.979 1.696 1.00 63.42 C ATOM 0 H ALA A 62 -0.100 1.760 -0.540 1.00 41.00 H new ATOM 0 HA ALA A 62 -1.292 4.385 0.086 1.00 23.13 H new ATOM 0 HB1 ALA A 62 -1.324 3.741 2.474 1.00 63.42 H new ATOM 0 HB2 ALA A 62 -2.416 2.727 1.502 1.00 63.42 H new ATOM 0 HB3 ALA A 62 -0.840 2.088 2.026 1.00 63.42 H new ATOM 979 N ASN A 63 0.946 5.249 0.628 1.00 71.51 N ATOM 980 CA ASN A 63 2.279 5.791 0.863 1.00 21.24 C ATOM 981 C ASN A 63 2.454 6.189 2.326 1.00 52.33 C ATOM 982 O ASN A 63 1.802 7.115 2.810 1.00 20.43 O ATOM 983 CB ASN A 63 2.527 7.001 -0.040 1.00 20.23 C ATOM 984 CG ASN A 63 3.965 7.479 0.016 1.00 62.42 C ATOM 985 OD1 ASN A 63 4.478 7.818 1.083 1.00 75.14 O ATOM 986 ND2 ASN A 63 4.624 7.508 -1.137 1.00 32.41 N ATOM 0 H ASN A 63 0.237 5.951 0.416 1.00 71.51 H new ATOM 0 HA ASN A 63 3.007 5.015 0.626 1.00 21.24 H new ATOM 0 HB2 ASN A 63 2.273 6.742 -1.068 1.00 20.23 H new ATOM 0 HB3 ASN A 63 1.865 7.814 0.257 1.00 20.23 H new ATOM 0 HD21 ASN A 63 5.595 7.820 -1.162 1.00 32.41 H new ATOM 0 HD22 ASN A 63 4.159 7.218 -1.997 1.00 32.41 H new ATOM 993 N PHE A 64 3.338 5.485 3.024 1.00 64.24 N ATOM 994 CA PHE A 64 3.599 5.764 4.431 1.00 42.21 C ATOM 995 C PHE A 64 4.338 7.089 4.594 1.00 13.44 C ATOM 996 O PHE A 64 5.357 7.329 3.947 1.00 1.11 O ATOM 997 CB PHE A 64 4.417 4.631 5.055 1.00 50.44 C ATOM 998 CG PHE A 64 3.634 3.789 6.021 1.00 63.44 C ATOM 999 CD1 PHE A 64 3.315 4.271 7.280 1.00 73.42 C ATOM 1000 CD2 PHE A 64 3.218 2.515 5.669 1.00 35.24 C ATOM 1001 CE1 PHE A 64 2.595 3.497 8.171 1.00 63.22 C ATOM 1002 CE2 PHE A 64 2.497 1.736 6.556 1.00 4.51 C ATOM 1003 CZ PHE A 64 2.185 2.229 7.808 1.00 21.21 C ATOM 0 H PHE A 64 3.886 4.716 2.638 1.00 64.24 H new ATOM 0 HA PHE A 64 2.641 5.836 4.945 1.00 42.21 H new ATOM 0 HB2 PHE A 64 4.805 3.993 4.261 1.00 50.44 H new ATOM 0 HB3 PHE A 64 5.278 5.056 5.571 1.00 50.44 H new ATOM 0 HD1 PHE A 64 3.632 5.262 7.569 1.00 73.42 H new ATOM 0 HD2 PHE A 64 3.459 2.126 4.691 1.00 35.24 H new ATOM 0 HE1 PHE A 64 2.353 3.884 9.150 1.00 63.22 H new ATOM 0 HE2 PHE A 64 2.179 0.744 6.270 1.00 4.51 H new ATOM 0 HZ PHE A 64 1.621 1.624 8.502 1.00 21.21 H new ATOM 1013 N VAL A 65 3.815 7.948 5.464 1.00 20.14 N ATOM 1014 CA VAL A 65 4.424 9.249 5.714 1.00 33.15 C ATOM 1015 C VAL A 65 5.841 9.098 6.255 1.00 30.35 C ATOM 1016 O VAL A 65 6.665 10.004 6.130 1.00 24.45 O ATOM 1017 CB VAL A 65 3.591 10.076 6.712 1.00 72.12 C ATOM 1018 CG1 VAL A 65 4.317 11.361 7.078 1.00 43.34 C ATOM 1019 CG2 VAL A 65 2.215 10.377 6.136 1.00 63.42 C ATOM 0 H VAL A 65 2.971 7.766 6.007 1.00 20.14 H new ATOM 0 HA VAL A 65 4.457 9.772 4.758 1.00 33.15 H new ATOM 0 HB VAL A 65 3.459 9.490 7.622 1.00 72.12 H new ATOM 0 HG11 VAL A 65 3.713 11.932 7.784 1.00 43.34 H new ATOM 0 HG12 VAL A 65 5.277 11.119 7.534 1.00 43.34 H new ATOM 0 HG13 VAL A 65 4.482 11.954 6.179 1.00 43.34 H new ATOM 0 HG21 VAL A 65 1.640 10.962 6.854 1.00 63.42 H new ATOM 0 HG22 VAL A 65 2.324 10.943 5.211 1.00 63.42 H new ATOM 0 HG23 VAL A 65 1.694 9.442 5.930 1.00 63.42 H new ATOM 1029 N LYS A 66 6.119 7.946 6.857 1.00 12.23 N ATOM 1030 CA LYS A 66 7.437 7.673 7.417 1.00 43.41 C ATOM 1031 C LYS A 66 7.988 6.351 6.893 1.00 34.32 C ATOM 1032 O LYS A 66 7.372 5.701 6.048 1.00 54.11 O ATOM 1033 CB LYS A 66 7.368 7.640 8.945 1.00 24.13 C ATOM 1034 CG LYS A 66 7.443 9.014 9.588 1.00 40.22 C ATOM 1035 CD LYS A 66 6.070 9.655 9.694 1.00 15.32 C ATOM 1036 CE LYS A 66 5.268 9.069 10.846 1.00 24.14 C ATOM 1037 NZ LYS A 66 5.015 10.075 11.915 1.00 40.15 N ATOM 0 H LYS A 66 5.448 7.186 6.969 1.00 12.23 H new ATOM 0 HA LYS A 66 8.108 8.474 7.107 1.00 43.41 H new ATOM 0 HB2 LYS A 66 6.439 7.157 9.248 1.00 24.13 H new ATOM 0 HB3 LYS A 66 8.185 7.026 9.324 1.00 24.13 H new ATOM 0 HG2 LYS A 66 7.883 8.928 10.581 1.00 40.22 H new ATOM 0 HG3 LYS A 66 8.101 9.656 9.002 1.00 40.22 H new ATOM 0 HD2 LYS A 66 6.179 10.730 9.835 1.00 15.32 H new ATOM 0 HD3 LYS A 66 5.527 9.510 8.760 1.00 15.32 H new ATOM 0 HE2 LYS A 66 4.317 8.691 10.471 1.00 24.14 H new ATOM 0 HE3 LYS A 66 5.805 8.219 11.267 1.00 24.14 H new ATOM 0 HZ1 LYS A 66 4.466 9.636 12.682 1.00 40.15 H new ATOM 0 HZ2 LYS A 66 5.922 10.418 12.291 1.00 40.15 H new ATOM 0 HZ3 LYS A 66 4.480 10.875 11.520 1.00 40.15 H new ATOM 1051 N LYS A 67 9.150 5.956 7.401 1.00 21.05 N ATOM 1052 CA LYS A 67 9.783 4.709 6.988 1.00 52.23 C ATOM 1053 C LYS A 67 9.257 3.534 7.806 1.00 54.40 C ATOM 1054 O LYS A 67 9.326 3.542 9.035 1.00 51.44 O ATOM 1055 CB LYS A 67 11.302 4.810 7.139 1.00 63.21 C ATOM 1056 CG LYS A 67 11.927 5.902 6.289 1.00 41.42 C ATOM 1057 CD LYS A 67 12.785 5.322 5.177 1.00 5.13 C ATOM 1058 CE LYS A 67 14.049 4.678 5.727 1.00 10.33 C ATOM 1059 NZ LYS A 67 15.062 5.695 6.123 1.00 3.04 N ATOM 0 H LYS A 67 9.673 6.482 8.101 1.00 21.05 H new ATOM 0 HA LYS A 67 9.539 4.537 5.940 1.00 52.23 H new ATOM 0 HB2 LYS A 67 11.543 4.994 8.186 1.00 63.21 H new ATOM 0 HB3 LYS A 67 11.750 3.853 6.872 1.00 63.21 H new ATOM 0 HG2 LYS A 67 11.142 6.523 5.858 1.00 41.42 H new ATOM 0 HG3 LYS A 67 12.536 6.551 6.919 1.00 41.42 H new ATOM 0 HD2 LYS A 67 12.210 4.581 4.621 1.00 5.13 H new ATOM 0 HD3 LYS A 67 13.053 6.111 4.474 1.00 5.13 H new ATOM 0 HE2 LYS A 67 13.797 4.062 6.590 1.00 10.33 H new ATOM 0 HE3 LYS A 67 14.475 4.014 4.975 1.00 10.33 H new ATOM 0 HZ1 LYS A 67 15.933 5.216 6.429 1.00 3.04 H new ATOM 0 HZ2 LYS A 67 15.272 6.310 5.311 1.00 3.04 H new ATOM 0 HZ3 LYS A 67 14.690 6.269 6.906 1.00 3.04 H new ATOM 1073 N GLN A 68 8.733 2.526 7.116 1.00 14.33 N ATOM 1074 CA GLN A 68 8.196 1.344 7.780 1.00 11.44 C ATOM 1075 C GLN A 68 8.663 0.070 7.085 1.00 24.14 C ATOM 1076 O GLN A 68 8.941 0.070 5.886 1.00 71.35 O ATOM 1077 CB GLN A 68 6.667 1.396 7.803 1.00 62.13 C ATOM 1078 CG GLN A 68 6.110 2.615 8.520 1.00 30.44 C ATOM 1079 CD GLN A 68 5.071 2.253 9.564 1.00 44.21 C ATOM 1080 OE1 GLN A 68 4.427 1.207 9.479 1.00 51.42 O ATOM 1081 NE2 GLN A 68 4.903 3.119 10.557 1.00 64.31 N ATOM 0 H GLN A 68 8.669 2.504 6.098 1.00 14.33 H new ATOM 0 HA GLN A 68 8.567 1.334 8.805 1.00 11.44 H new ATOM 0 HB2 GLN A 68 6.296 1.387 6.778 1.00 62.13 H new ATOM 0 HB3 GLN A 68 6.288 0.496 8.287 1.00 62.13 H new ATOM 0 HG2 GLN A 68 6.927 3.156 8.998 1.00 30.44 H new ATOM 0 HG3 GLN A 68 5.665 3.290 7.789 1.00 30.44 H new ATOM 0 HE21 GLN A 68 5.459 3.974 10.588 1.00 64.31 H new ATOM 0 HE22 GLN A 68 4.218 2.929 11.289 1.00 64.31 H new ATOM 1090 N THR A 69 8.749 -1.016 7.847 1.00 62.50 N ATOM 1091 CA THR A 69 9.185 -2.297 7.305 1.00 35.41 C ATOM 1092 C THR A 69 7.993 -3.153 6.891 1.00 53.21 C ATOM 1093 O THR A 69 6.844 -2.819 7.184 1.00 25.35 O ATOM 1094 CB THR A 69 10.034 -3.079 8.325 1.00 74.51 C ATOM 1095 OG1 THR A 69 9.193 -3.621 9.350 1.00 53.31 O ATOM 1096 CG2 THR A 69 11.091 -2.182 8.951 1.00 54.05 C ATOM 0 H THR A 69 8.522 -1.034 8.841 1.00 62.50 H new ATOM 0 HA THR A 69 9.794 -2.078 6.428 1.00 35.41 H new ATOM 0 HB THR A 69 10.535 -3.892 7.799 1.00 74.51 H new ATOM 0 HG1 THR A 69 9.740 -4.118 9.993 1.00 53.31 H new ATOM 0 HG21 THR A 69 11.678 -2.757 9.668 1.00 54.05 H new ATOM 0 HG22 THR A 69 11.748 -1.795 8.172 1.00 54.05 H new ATOM 0 HG23 THR A 69 10.606 -1.351 9.463 1.00 54.05 H new ATOM 1104 N PHE A 70 8.272 -4.258 6.208 1.00 44.23 N ATOM 1105 CA PHE A 70 7.222 -5.162 5.753 1.00 43.32 C ATOM 1106 C PHE A 70 6.445 -5.732 6.936 1.00 50.53 C ATOM 1107 O PHE A 70 5.223 -5.608 7.006 1.00 20.32 O ATOM 1108 CB PHE A 70 7.823 -6.301 4.927 1.00 42.24 C ATOM 1109 CG PHE A 70 6.944 -7.516 4.852 1.00 14.01 C ATOM 1110 CD1 PHE A 70 5.872 -7.559 3.975 1.00 62.33 C ATOM 1111 CD2 PHE A 70 7.188 -8.615 5.660 1.00 50.10 C ATOM 1112 CE1 PHE A 70 5.061 -8.676 3.903 1.00 31.14 C ATOM 1113 CE2 PHE A 70 6.381 -9.735 5.593 1.00 55.53 C ATOM 1114 CZ PHE A 70 5.315 -9.765 4.714 1.00 0.23 C ATOM 0 H PHE A 70 9.217 -4.549 5.957 1.00 44.23 H new ATOM 0 HA PHE A 70 6.533 -4.593 5.128 1.00 43.32 H new ATOM 0 HB2 PHE A 70 8.020 -5.942 3.917 1.00 42.24 H new ATOM 0 HB3 PHE A 70 8.784 -6.584 5.358 1.00 42.24 H new ATOM 0 HD1 PHE A 70 5.668 -6.710 3.340 1.00 62.33 H new ATOM 0 HD2 PHE A 70 8.018 -8.596 6.350 1.00 50.10 H new ATOM 0 HE1 PHE A 70 4.230 -8.697 3.214 1.00 31.14 H new ATOM 0 HE2 PHE A 70 6.583 -10.586 6.227 1.00 55.53 H new ATOM 0 HZ PHE A 70 4.682 -10.638 4.661 1.00 0.23 H new ATOM 1124 N ASN A 71 7.164 -6.356 7.863 1.00 71.33 N ATOM 1125 CA ASN A 71 6.542 -6.947 9.043 1.00 43.34 C ATOM 1126 C ASN A 71 5.848 -5.879 9.883 1.00 24.45 C ATOM 1127 O ASN A 71 4.760 -6.102 10.414 1.00 1.35 O ATOM 1128 CB ASN A 71 7.590 -7.675 9.886 1.00 5.03 C ATOM 1129 CG ASN A 71 7.688 -9.149 9.542 1.00 41.44 C ATOM 1130 OD1 ASN A 71 6.740 -9.741 9.027 1.00 74.21 O ATOM 1131 ND2 ASN A 71 8.839 -9.747 9.825 1.00 60.31 N ATOM 0 H ASN A 71 8.177 -6.466 7.820 1.00 71.33 H new ATOM 0 HA ASN A 71 5.793 -7.665 8.709 1.00 43.34 H new ATOM 0 HB2 ASN A 71 8.562 -7.205 9.737 1.00 5.03 H new ATOM 0 HB3 ASN A 71 7.342 -7.567 10.942 1.00 5.03 H new ATOM 0 HD21 ASN A 71 8.964 -10.737 9.615 1.00 60.31 H new ATOM 0 HD22 ASN A 71 9.598 -9.216 10.252 1.00 60.31 H new ATOM 1138 N LYS A 72 6.485 -4.719 10.000 1.00 64.20 N ATOM 1139 CA LYS A 72 5.930 -3.615 10.774 1.00 22.41 C ATOM 1140 C LYS A 72 4.637 -3.107 10.146 1.00 54.31 C ATOM 1141 O LYS A 72 3.624 -2.949 10.828 1.00 73.44 O ATOM 1142 CB LYS A 72 6.945 -2.474 10.873 1.00 13.13 C ATOM 1143 CG LYS A 72 6.370 -1.199 11.466 1.00 31.11 C ATOM 1144 CD LYS A 72 5.756 -1.447 12.834 1.00 72.45 C ATOM 1145 CE LYS A 72 5.209 -0.164 13.440 1.00 34.41 C ATOM 1146 NZ LYS A 72 6.190 0.478 14.358 1.00 70.14 N ATOM 0 H LYS A 72 7.387 -4.519 9.568 1.00 64.20 H new ATOM 0 HA LYS A 72 5.707 -3.982 11.776 1.00 22.41 H new ATOM 0 HB2 LYS A 72 7.788 -2.800 11.482 1.00 13.13 H new ATOM 0 HB3 LYS A 72 7.335 -2.259 9.878 1.00 13.13 H new ATOM 0 HG2 LYS A 72 7.156 -0.449 11.550 1.00 31.11 H new ATOM 0 HG3 LYS A 72 5.613 -0.794 10.795 1.00 31.11 H new ATOM 0 HD2 LYS A 72 4.954 -2.180 12.747 1.00 72.45 H new ATOM 0 HD3 LYS A 72 6.507 -1.874 13.499 1.00 72.45 H new ATOM 0 HE2 LYS A 72 4.948 0.532 12.643 1.00 34.41 H new ATOM 0 HE3 LYS A 72 4.291 -0.382 13.985 1.00 34.41 H new ATOM 0 HZ1 LYS A 72 5.780 1.349 14.750 1.00 70.14 H new ATOM 0 HZ2 LYS A 72 6.420 -0.176 15.133 1.00 70.14 H new ATOM 0 HZ3 LYS A 72 7.057 0.710 13.832 1.00 70.14 H new ATOM 1160 N VAL A 73 4.677 -2.852 8.842 1.00 64.42 N ATOM 1161 CA VAL A 73 3.508 -2.364 8.121 1.00 33.22 C ATOM 1162 C VAL A 73 2.308 -3.280 8.336 1.00 61.22 C ATOM 1163 O VAL A 73 1.159 -2.849 8.244 1.00 13.44 O ATOM 1164 CB VAL A 73 3.787 -2.248 6.611 1.00 41.20 C ATOM 1165 CG1 VAL A 73 2.489 -2.056 5.841 1.00 44.40 C ATOM 1166 CG2 VAL A 73 4.754 -1.107 6.335 1.00 44.40 C ATOM 0 H VAL A 73 5.508 -2.976 8.263 1.00 64.42 H new ATOM 0 HA VAL A 73 3.282 -1.374 8.518 1.00 33.22 H new ATOM 0 HB VAL A 73 4.248 -3.175 6.272 1.00 41.20 H new ATOM 0 HG11 VAL A 73 2.706 -1.976 4.776 1.00 44.40 H new ATOM 0 HG12 VAL A 73 1.833 -2.909 6.015 1.00 44.40 H new ATOM 0 HG13 VAL A 73 1.996 -1.145 6.180 1.00 44.40 H new ATOM 0 HG21 VAL A 73 4.940 -1.039 5.263 1.00 44.40 H new ATOM 0 HG22 VAL A 73 4.322 -0.171 6.688 1.00 44.40 H new ATOM 0 HG23 VAL A 73 5.694 -1.292 6.855 1.00 44.40 H new ATOM 1176 N LYS A 74 2.583 -4.548 8.622 1.00 32.25 N ATOM 1177 CA LYS A 74 1.527 -5.527 8.853 1.00 70.24 C ATOM 1178 C LYS A 74 0.712 -5.168 10.091 1.00 50.53 C ATOM 1179 O LYS A 74 -0.354 -5.734 10.329 1.00 34.43 O ATOM 1180 CB LYS A 74 2.126 -6.926 9.012 1.00 24.22 C ATOM 1181 CG LYS A 74 2.966 -7.367 7.826 1.00 71.23 C ATOM 1182 CD LYS A 74 2.746 -8.836 7.502 1.00 2.52 C ATOM 1183 CE LYS A 74 2.082 -9.014 6.145 1.00 23.04 C ATOM 1184 NZ LYS A 74 2.090 -10.437 5.707 1.00 21.20 N ATOM 0 H LYS A 74 3.529 -4.922 8.699 1.00 32.25 H new ATOM 0 HA LYS A 74 0.863 -5.518 7.988 1.00 70.24 H new ATOM 0 HB2 LYS A 74 2.742 -6.948 9.911 1.00 24.22 H new ATOM 0 HB3 LYS A 74 1.319 -7.643 9.161 1.00 24.22 H new ATOM 0 HG2 LYS A 74 2.716 -6.760 6.956 1.00 71.23 H new ATOM 0 HG3 LYS A 74 4.020 -7.195 8.042 1.00 71.23 H new ATOM 0 HD2 LYS A 74 3.702 -9.359 7.512 1.00 2.52 H new ATOM 0 HD3 LYS A 74 2.126 -9.291 8.274 1.00 2.52 H new ATOM 0 HE2 LYS A 74 1.054 -8.655 6.194 1.00 23.04 H new ATOM 0 HE3 LYS A 74 2.599 -8.403 5.405 1.00 23.04 H new ATOM 0 HZ1 LYS A 74 2.745 -10.550 4.908 1.00 21.20 H new ATOM 0 HZ2 LYS A 74 2.398 -11.041 6.496 1.00 21.20 H new ATOM 0 HZ3 LYS A 74 1.132 -10.715 5.411 1.00 21.20 H new ATOM 1198 N TRP A 75 1.220 -4.222 10.873 1.00 32.54 N ATOM 1199 CA TRP A 75 0.537 -3.787 12.086 1.00 3.45 C ATOM 1200 C TRP A 75 -0.738 -3.023 11.749 1.00 53.22 C ATOM 1201 O TRP A 75 -1.633 -2.890 12.584 1.00 1.43 O ATOM 1202 CB TRP A 75 1.464 -2.909 12.930 1.00 35.32 C ATOM 1203 CG TRP A 75 1.556 -1.497 12.437 1.00 65.22 C ATOM 1204 CD1 TRP A 75 1.637 -1.087 11.137 1.00 45.04 C ATOM 1205 CD2 TRP A 75 1.580 -0.310 13.236 1.00 11.24 C ATOM 1206 NE1 TRP A 75 1.710 0.284 11.080 1.00 51.01 N ATOM 1207 CE2 TRP A 75 1.676 0.785 12.355 1.00 75.55 C ATOM 1208 CE3 TRP A 75 1.527 -0.064 14.611 1.00 24.20 C ATOM 1209 CZ2 TRP A 75 1.721 2.101 12.805 1.00 52.22 C ATOM 1210 CZ3 TRP A 75 1.573 1.243 15.056 1.00 13.13 C ATOM 1211 CH2 TRP A 75 1.668 2.312 14.156 1.00 52.42 C ATOM 0 H TRP A 75 2.101 -3.742 10.689 1.00 32.54 H new ATOM 0 HA TRP A 75 0.266 -4.674 12.659 1.00 3.45 H new ATOM 0 HB2 TRP A 75 1.109 -2.904 13.961 1.00 35.32 H new ATOM 0 HB3 TRP A 75 2.461 -3.349 12.938 1.00 35.32 H new ATOM 0 HD1 TRP A 75 1.643 -1.744 10.280 1.00 45.04 H new ATOM 0 HE1 TRP A 75 1.778 0.839 10.227 1.00 51.01 H new ATOM 0 HE3 TRP A 75 1.451 -0.881 15.313 1.00 24.20 H new ATOM 0 HZ2 TRP A 75 1.795 2.927 12.113 1.00 52.22 H new ATOM 0 HZ3 TRP A 75 1.535 1.444 16.116 1.00 13.13 H new ATOM 0 HH2 TRP A 75 1.700 3.323 14.536 1.00 52.42 H new ATOM 1222 N TYR A 76 -0.816 -2.523 10.520 1.00 21.25 N ATOM 1223 CA TYR A 76 -1.982 -1.771 10.074 1.00 40.53 C ATOM 1224 C TYR A 76 -2.738 -2.530 8.988 1.00 63.42 C ATOM 1225 O TYR A 76 -3.952 -2.716 9.074 1.00 54.54 O ATOM 1226 CB TYR A 76 -1.559 -0.397 9.550 1.00 23.11 C ATOM 1227 CG TYR A 76 -1.829 0.731 10.520 1.00 32.43 C ATOM 1228 CD1 TYR A 76 -3.012 0.779 11.248 1.00 41.02 C ATOM 1229 CD2 TYR A 76 -0.901 1.747 10.710 1.00 12.22 C ATOM 1230 CE1 TYR A 76 -3.263 1.808 12.135 1.00 73.14 C ATOM 1231 CE2 TYR A 76 -1.144 2.779 11.596 1.00 4.31 C ATOM 1232 CZ TYR A 76 -2.326 2.805 12.306 1.00 52.45 C ATOM 1233 OH TYR A 76 -2.572 3.831 13.189 1.00 13.21 O ATOM 0 H TYR A 76 -0.085 -2.625 9.816 1.00 21.25 H new ATOM 0 HA TYR A 76 -2.645 -1.639 10.929 1.00 40.53 H new ATOM 0 HB2 TYR A 76 -0.494 -0.418 9.318 1.00 23.11 H new ATOM 0 HB3 TYR A 76 -2.085 -0.196 8.617 1.00 23.11 H new ATOM 0 HD1 TYR A 76 -3.747 -0.001 11.118 1.00 41.02 H new ATOM 0 HD2 TYR A 76 0.026 1.730 10.156 1.00 12.22 H new ATOM 0 HE1 TYR A 76 -4.188 1.831 12.692 1.00 73.14 H new ATOM 0 HE2 TYR A 76 -0.412 3.561 11.732 1.00 4.31 H new ATOM 0 HH TYR A 76 -1.724 4.155 13.558 1.00 13.21 H new ATOM 1243 N LEU A 77 -2.010 -2.969 7.967 1.00 60.13 N ATOM 1244 CA LEU A 77 -2.610 -3.710 6.863 1.00 64.44 C ATOM 1245 C LEU A 77 -3.023 -5.110 7.307 1.00 42.20 C ATOM 1246 O LEU A 77 -4.089 -5.600 6.937 1.00 24.30 O ATOM 1247 CB LEU A 77 -1.629 -3.803 5.693 1.00 64.45 C ATOM 1248 CG LEU A 77 -1.309 -2.490 4.979 1.00 51.55 C ATOM 1249 CD1 LEU A 77 -0.199 -2.692 3.959 1.00 23.24 C ATOM 1250 CD2 LEU A 77 -2.555 -1.930 4.308 1.00 73.10 C ATOM 0 H LEU A 77 -1.004 -2.825 7.881 1.00 60.13 H new ATOM 0 HA LEU A 77 -3.502 -3.173 6.540 1.00 64.44 H new ATOM 0 HB2 LEU A 77 -0.696 -4.230 6.061 1.00 64.45 H new ATOM 0 HB3 LEU A 77 -2.033 -4.502 4.961 1.00 64.45 H new ATOM 0 HG LEU A 77 -0.965 -1.771 5.722 1.00 51.55 H new ATOM 0 HD11 LEU A 77 0.014 -1.746 3.461 1.00 23.24 H new ATOM 0 HD12 LEU A 77 0.699 -3.047 4.464 1.00 23.24 H new ATOM 0 HD13 LEU A 77 -0.514 -3.428 3.219 1.00 23.24 H new ATOM 0 HD21 LEU A 77 -2.308 -0.995 3.805 1.00 73.10 H new ATOM 0 HD22 LEU A 77 -2.929 -2.648 3.578 1.00 73.10 H new ATOM 0 HD23 LEU A 77 -3.322 -1.746 5.060 1.00 73.10 H new ATOM 1262 N GLY A 78 -2.172 -5.747 8.105 1.00 23.24 N ATOM 1263 CA GLY A 78 -2.467 -7.083 8.589 1.00 31.21 C ATOM 1264 C GLY A 78 -1.818 -8.162 7.745 1.00 24.15 C ATOM 1265 O GLY A 78 -1.550 -7.957 6.562 1.00 41.10 O ATOM 0 H GLY A 78 -1.283 -5.362 8.425 1.00 23.24 H new ATOM 0 HA2 GLY A 78 -2.124 -7.177 9.619 1.00 31.21 H new ATOM 0 HA3 GLY A 78 -3.547 -7.233 8.597 1.00 31.21 H new ATOM 1269 N ALA A 79 -1.562 -9.315 8.356 1.00 42.41 N ATOM 1270 CA ALA A 79 -0.940 -10.430 7.653 1.00 42.20 C ATOM 1271 C ALA A 79 -1.937 -11.121 6.729 1.00 43.11 C ATOM 1272 O ALA A 79 -1.553 -11.723 5.726 1.00 54.54 O ATOM 1273 CB ALA A 79 -0.362 -11.425 8.648 1.00 13.05 C ATOM 0 H ALA A 79 -1.776 -9.501 9.336 1.00 42.41 H new ATOM 0 HA ALA A 79 -0.130 -10.034 7.040 1.00 42.20 H new ATOM 0 HB1 ALA A 79 0.099 -12.252 8.109 1.00 13.05 H new ATOM 0 HB2 ALA A 79 0.389 -10.930 9.264 1.00 13.05 H new ATOM 0 HB3 ALA A 79 -1.159 -11.807 9.285 1.00 13.05 H new ATOM 1279 N ARG A 80 -3.217 -11.031 7.074 1.00 21.32 N ATOM 1280 CA ARG A 80 -4.269 -11.650 6.276 1.00 24.02 C ATOM 1281 C ARG A 80 -4.162 -11.227 4.814 1.00 1.41 C ATOM 1282 O ARG A 80 -4.397 -12.026 3.907 1.00 33.03 O ATOM 1283 CB ARG A 80 -5.645 -11.274 6.828 1.00 21.11 C ATOM 1284 CG ARG A 80 -5.815 -11.586 8.306 1.00 64.41 C ATOM 1285 CD ARG A 80 -7.135 -12.290 8.579 1.00 50.44 C ATOM 1286 NE ARG A 80 -7.259 -13.533 7.823 1.00 72.11 N ATOM 1287 CZ ARG A 80 -8.296 -14.357 7.928 1.00 11.33 C ATOM 1288 NH1 ARG A 80 -9.294 -14.070 8.753 1.00 4.12 N ATOM 1289 NH2 ARG A 80 -8.337 -15.470 7.207 1.00 2.20 N ATOM 0 H ARG A 80 -3.551 -10.536 7.901 1.00 21.32 H new ATOM 0 HA ARG A 80 -4.146 -12.731 6.333 1.00 24.02 H new ATOM 0 HB2 ARG A 80 -5.812 -10.209 6.669 1.00 21.11 H new ATOM 0 HB3 ARG A 80 -6.411 -11.805 6.263 1.00 21.11 H new ATOM 0 HG2 ARG A 80 -4.990 -12.214 8.644 1.00 64.41 H new ATOM 0 HG3 ARG A 80 -5.769 -10.662 8.882 1.00 64.41 H new ATOM 0 HD2 ARG A 80 -7.218 -12.504 9.645 1.00 50.44 H new ATOM 0 HD3 ARG A 80 -7.960 -11.626 8.322 1.00 50.44 H new ATOM 0 HE ARG A 80 -6.508 -13.782 7.179 1.00 72.11 H new ATOM 0 HH11 ARG A 80 -9.267 -13.215 9.309 1.00 4.12 H new ATOM 0 HH12 ARG A 80 -10.089 -14.704 8.832 1.00 4.12 H new ATOM 0 HH21 ARG A 80 -7.572 -15.694 6.571 1.00 2.20 H new ATOM 0 HH22 ARG A 80 -9.134 -16.102 7.289 1.00 2.20 H new ATOM 1303 N CYS A 81 -3.807 -9.966 4.593 1.00 3.23 N ATOM 1304 CA CYS A 81 -3.670 -9.436 3.241 1.00 12.54 C ATOM 1305 C CYS A 81 -2.204 -9.380 2.825 1.00 51.33 C ATOM 1306 O CYS A 81 -1.342 -8.969 3.602 1.00 22.33 O ATOM 1307 CB CYS A 81 -4.291 -8.041 3.153 1.00 15.22 C ATOM 1308 SG CYS A 81 -3.452 -6.794 4.159 1.00 74.05 S ATOM 0 H CYS A 81 -3.609 -9.292 5.332 1.00 3.23 H new ATOM 0 HA CYS A 81 -4.197 -10.104 2.560 1.00 12.54 H new ATOM 0 HB2 CYS A 81 -4.284 -7.717 2.112 1.00 15.22 H new ATOM 0 HB3 CYS A 81 -5.335 -8.100 3.462 1.00 15.22 H new ATOM 0 HG CYS A 81 -4.083 -6.650 5.287 1.00 74.05 H new ATOM 1314 N HIS A 82 -1.928 -9.797 1.593 1.00 0.21 N ATOM 1315 CA HIS A 82 -0.565 -9.795 1.073 1.00 72.30 C ATOM 1316 C HIS A 82 -0.107 -8.375 0.754 1.00 21.52 C ATOM 1317 O HIS A 82 -0.777 -7.646 0.022 1.00 32.43 O ATOM 1318 CB HIS A 82 -0.474 -10.667 -0.180 1.00 52.42 C ATOM 1319 CG HIS A 82 0.920 -11.109 -0.502 1.00 31.31 C ATOM 1320 ND1 HIS A 82 1.412 -12.352 -0.163 1.00 70.12 N ATOM 1321 CD2 HIS A 82 1.928 -10.467 -1.137 1.00 63.41 C ATOM 1322 CE1 HIS A 82 2.663 -12.455 -0.575 1.00 1.15 C ATOM 1323 NE2 HIS A 82 3.000 -11.325 -1.169 1.00 45.31 N ATOM 0 H HIS A 82 -2.629 -10.140 0.937 1.00 0.21 H new ATOM 0 HA HIS A 82 0.091 -10.205 1.841 1.00 72.30 H new ATOM 0 HB2 HIS A 82 -1.104 -11.547 -0.047 1.00 52.42 H new ATOM 0 HB3 HIS A 82 -0.876 -10.113 -1.028 1.00 52.42 H new ATOM 0 HD2 HIS A 82 1.896 -9.467 -1.543 1.00 63.41 H new ATOM 0 HE1 HIS A 82 3.301 -13.317 -0.448 1.00 1.15 H new ATOM 0 HE2 HIS A 82 3.909 -11.122 -1.584 1.00 45.31 H new ATOM 1331 N ILE A 83 1.037 -7.990 1.308 1.00 5.14 N ATOM 1332 CA ILE A 83 1.584 -6.658 1.082 1.00 5.25 C ATOM 1333 C ILE A 83 2.940 -6.731 0.388 1.00 50.22 C ATOM 1334 O ILE A 83 3.743 -7.620 0.666 1.00 63.42 O ATOM 1335 CB ILE A 83 1.738 -5.881 2.403 1.00 2.13 C ATOM 1336 CG1 ILE A 83 2.701 -6.612 3.341 1.00 4.30 C ATOM 1337 CG2 ILE A 83 0.383 -5.693 3.068 1.00 32.44 C ATOM 1338 CD1 ILE A 83 3.050 -5.823 4.584 1.00 52.11 C ATOM 0 H ILE A 83 1.603 -8.581 1.917 1.00 5.14 H new ATOM 0 HA ILE A 83 0.877 -6.132 0.440 1.00 5.25 H new ATOM 0 HB ILE A 83 2.152 -4.897 2.182 1.00 2.13 H new ATOM 0 HG12 ILE A 83 2.256 -7.562 3.637 1.00 4.30 H new ATOM 0 HG13 ILE A 83 3.618 -6.844 2.799 1.00 4.30 H new ATOM 0 HG21 ILE A 83 0.508 -5.142 4.000 1.00 32.44 H new ATOM 0 HG22 ILE A 83 -0.275 -5.134 2.402 1.00 32.44 H new ATOM 0 HG23 ILE A 83 -0.057 -6.668 3.279 1.00 32.44 H new ATOM 0 HD11 ILE A 83 3.736 -6.402 5.202 1.00 52.11 H new ATOM 0 HD12 ILE A 83 3.524 -4.884 4.298 1.00 52.11 H new ATOM 0 HD13 ILE A 83 2.142 -5.613 5.149 1.00 52.11 H new ATOM 1350 N GLU A 84 3.187 -5.788 -0.516 1.00 4.42 N ATOM 1351 CA GLU A 84 4.447 -5.745 -1.249 1.00 71.04 C ATOM 1352 C GLU A 84 4.819 -4.309 -1.609 1.00 31.43 C ATOM 1353 O GLU A 84 3.986 -3.405 -1.543 1.00 4.32 O ATOM 1354 CB GLU A 84 4.351 -6.592 -2.520 1.00 65.11 C ATOM 1355 CG GLU A 84 5.264 -7.807 -2.512 1.00 32.15 C ATOM 1356 CD GLU A 84 6.101 -7.917 -3.771 1.00 40.21 C ATOM 1357 OE1 GLU A 84 6.822 -6.948 -4.090 1.00 11.12 O ATOM 1358 OE2 GLU A 84 6.035 -8.970 -4.438 1.00 24.41 O ATOM 0 H GLU A 84 2.532 -5.044 -0.758 1.00 4.42 H new ATOM 0 HA GLU A 84 5.226 -6.153 -0.606 1.00 71.04 H new ATOM 0 HB2 GLU A 84 3.321 -6.923 -2.649 1.00 65.11 H new ATOM 0 HB3 GLU A 84 4.596 -5.970 -3.381 1.00 65.11 H new ATOM 0 HG2 GLU A 84 5.923 -7.755 -1.646 1.00 32.15 H new ATOM 0 HG3 GLU A 84 4.662 -8.709 -2.401 1.00 32.15 H new ATOM 1365 N LYS A 85 6.076 -4.108 -1.989 1.00 1.33 N ATOM 1366 CA LYS A 85 6.561 -2.784 -2.360 1.00 12.44 C ATOM 1367 C LYS A 85 6.050 -2.384 -3.740 1.00 74.01 C ATOM 1368 O LYS A 85 6.123 -3.164 -4.689 1.00 61.01 O ATOM 1369 CB LYS A 85 8.091 -2.755 -2.343 1.00 12.34 C ATOM 1370 CG LYS A 85 8.729 -3.739 -3.308 1.00 15.13 C ATOM 1371 CD LYS A 85 10.207 -3.929 -3.014 1.00 61.40 C ATOM 1372 CE LYS A 85 11.065 -3.580 -4.221 1.00 14.23 C ATOM 1373 NZ LYS A 85 11.292 -4.760 -5.100 1.00 54.24 N ATOM 0 H LYS A 85 6.778 -4.846 -2.048 1.00 1.33 H new ATOM 0 HA LYS A 85 6.182 -2.069 -1.630 1.00 12.44 H new ATOM 0 HB2 LYS A 85 8.430 -1.748 -2.587 1.00 12.34 H new ATOM 0 HB3 LYS A 85 8.439 -2.972 -1.333 1.00 12.34 H new ATOM 0 HG2 LYS A 85 8.217 -4.699 -3.241 1.00 15.13 H new ATOM 0 HG3 LYS A 85 8.603 -3.381 -4.330 1.00 15.13 H new ATOM 0 HD2 LYS A 85 10.494 -3.303 -2.169 1.00 61.40 H new ATOM 0 HD3 LYS A 85 10.391 -4.963 -2.722 1.00 61.40 H new ATOM 0 HE2 LYS A 85 10.582 -2.788 -4.793 1.00 14.23 H new ATOM 0 HE3 LYS A 85 12.025 -3.189 -3.883 1.00 14.23 H new ATOM 0 HZ1 LYS A 85 11.881 -4.481 -5.911 1.00 54.24 H new ATOM 0 HZ2 LYS A 85 11.776 -5.506 -4.561 1.00 54.24 H new ATOM 0 HZ3 LYS A 85 10.378 -5.118 -5.443 1.00 54.24 H new ATOM 1387 N ALA A 86 5.533 -1.164 -3.845 1.00 2.14 N ATOM 1388 CA ALA A 86 5.013 -0.660 -5.110 1.00 25.22 C ATOM 1389 C ALA A 86 6.140 -0.146 -6.000 1.00 53.01 C ATOM 1390 O ALA A 86 7.061 0.523 -5.530 1.00 73.45 O ATOM 1391 CB ALA A 86 3.992 0.439 -4.860 1.00 55.04 C ATOM 0 H ALA A 86 5.463 -0.506 -3.069 1.00 2.14 H new ATOM 0 HA ALA A 86 4.523 -1.484 -5.628 1.00 25.22 H new ATOM 0 HB1 ALA A 86 3.612 0.806 -5.813 1.00 55.04 H new ATOM 0 HB2 ALA A 86 3.167 0.041 -4.269 1.00 55.04 H new ATOM 0 HB3 ALA A 86 4.465 1.258 -4.318 1.00 55.04 H new ATOM 1397 N LYS A 87 6.061 -0.463 -7.288 1.00 53.42 N ATOM 1398 CA LYS A 87 7.073 -0.032 -8.246 1.00 32.53 C ATOM 1399 C LYS A 87 6.512 1.023 -9.193 1.00 74.13 C ATOM 1400 O LYS A 87 5.351 0.956 -9.595 1.00 52.00 O ATOM 1401 CB LYS A 87 7.588 -1.230 -9.047 1.00 21.22 C ATOM 1402 CG LYS A 87 6.510 -1.929 -9.858 1.00 3.25 C ATOM 1403 CD LYS A 87 6.612 -1.585 -11.334 1.00 50.30 C ATOM 1404 CE LYS A 87 5.452 -2.171 -12.124 1.00 62.22 C ATOM 1405 NZ LYS A 87 5.486 -3.660 -12.137 1.00 3.13 N ATOM 0 H LYS A 87 5.306 -1.017 -7.693 1.00 53.42 H new ATOM 0 HA LYS A 87 7.900 0.409 -7.690 1.00 32.53 H new ATOM 0 HB2 LYS A 87 8.377 -0.894 -9.720 1.00 21.22 H new ATOM 0 HB3 LYS A 87 8.038 -1.948 -8.362 1.00 21.22 H new ATOM 0 HG2 LYS A 87 6.597 -3.008 -9.728 1.00 3.25 H new ATOM 0 HG3 LYS A 87 5.528 -1.641 -9.483 1.00 3.25 H new ATOM 0 HD2 LYS A 87 6.627 -0.502 -11.456 1.00 50.30 H new ATOM 0 HD3 LYS A 87 7.553 -1.963 -11.733 1.00 50.30 H new ATOM 0 HE2 LYS A 87 4.510 -1.833 -11.691 1.00 62.22 H new ATOM 0 HE3 LYS A 87 5.485 -1.798 -13.148 1.00 62.22 H new ATOM 0 HZ1 LYS A 87 4.741 -4.019 -12.768 1.00 3.13 H new ATOM 0 HZ2 LYS A 87 6.414 -3.983 -12.478 1.00 3.13 H new ATOM 0 HZ3 LYS A 87 5.327 -4.019 -11.174 1.00 3.13 H new ATOM 1419 N GLY A 88 7.345 1.997 -9.548 1.00 32.40 N ATOM 1420 CA GLY A 88 6.914 3.051 -10.447 1.00 14.12 C ATOM 1421 C GLY A 88 6.839 4.402 -9.762 1.00 75.45 C ATOM 1422 O GLY A 88 7.185 4.532 -8.588 1.00 32.32 O ATOM 0 H GLY A 88 8.311 2.074 -9.229 1.00 32.40 H new ATOM 0 HA2 GLY A 88 7.604 3.111 -11.289 1.00 14.12 H new ATOM 0 HA3 GLY A 88 5.935 2.799 -10.855 1.00 14.12 H new ATOM 1426 N THR A 89 6.386 5.412 -10.499 1.00 1.15 N ATOM 1427 CA THR A 89 6.269 6.760 -9.957 1.00 4.02 C ATOM 1428 C THR A 89 4.937 6.952 -9.242 1.00 54.04 C ATOM 1429 O THR A 89 4.043 6.111 -9.339 1.00 30.43 O ATOM 1430 CB THR A 89 6.404 7.824 -11.063 1.00 20.42 C ATOM 1431 OG1 THR A 89 5.214 7.857 -11.858 1.00 72.42 O ATOM 1432 CG2 THR A 89 7.605 7.533 -11.950 1.00 60.30 C ATOM 0 H THR A 89 6.094 5.322 -11.472 1.00 1.15 H new ATOM 0 HA THR A 89 7.082 6.885 -9.242 1.00 4.02 H new ATOM 0 HB THR A 89 6.550 8.794 -10.588 1.00 20.42 H new ATOM 0 HG1 THR A 89 5.307 8.537 -12.558 1.00 72.42 H new ATOM 0 HG21 THR A 89 7.680 8.297 -12.723 1.00 60.30 H new ATOM 0 HG22 THR A 89 8.513 7.537 -11.346 1.00 60.30 H new ATOM 0 HG23 THR A 89 7.484 6.555 -12.417 1.00 60.30 H new ATOM 1440 N ASP A 90 4.809 8.064 -8.527 1.00 22.23 N ATOM 1441 CA ASP A 90 3.584 8.367 -7.797 1.00 15.20 C ATOM 1442 C ASP A 90 2.375 8.334 -8.727 1.00 71.42 C ATOM 1443 O ASP A 90 1.309 7.843 -8.356 1.00 53.45 O ATOM 1444 CB ASP A 90 3.689 9.738 -7.127 1.00 44.24 C ATOM 1445 CG ASP A 90 5.039 9.960 -6.473 1.00 51.32 C ATOM 1446 OD1 ASP A 90 5.389 9.187 -5.557 1.00 12.24 O ATOM 1447 OD2 ASP A 90 5.746 10.907 -6.878 1.00 75.32 O ATOM 0 H ASP A 90 5.539 8.771 -8.437 1.00 22.23 H new ATOM 0 HA ASP A 90 3.451 7.605 -7.029 1.00 15.20 H new ATOM 0 HB2 ASP A 90 3.516 10.517 -7.870 1.00 44.24 H new ATOM 0 HB3 ASP A 90 2.905 9.834 -6.376 1.00 44.24 H new ATOM 1452 N GLN A 91 2.550 8.859 -9.935 1.00 73.05 N ATOM 1453 CA GLN A 91 1.472 8.890 -10.917 1.00 43.44 C ATOM 1454 C GLN A 91 1.134 7.484 -11.399 1.00 71.55 C ATOM 1455 O GLN A 91 -0.027 7.169 -11.658 1.00 15.12 O ATOM 1456 CB GLN A 91 1.863 9.770 -12.107 1.00 21.44 C ATOM 1457 CG GLN A 91 0.672 10.319 -12.875 1.00 33.52 C ATOM 1458 CD GLN A 91 -0.051 11.418 -12.122 1.00 54.24 C ATOM 1459 OE1 GLN A 91 0.407 12.560 -12.077 1.00 53.34 O ATOM 1460 NE2 GLN A 91 -1.189 11.079 -11.526 1.00 45.13 N ATOM 0 H GLN A 91 3.427 9.268 -10.257 1.00 73.05 H new ATOM 0 HA GLN A 91 0.589 9.311 -10.437 1.00 43.44 H new ATOM 0 HB2 GLN A 91 2.469 10.602 -11.749 1.00 21.44 H new ATOM 0 HB3 GLN A 91 2.487 9.191 -12.787 1.00 21.44 H new ATOM 0 HG2 GLN A 91 1.011 10.705 -13.836 1.00 33.52 H new ATOM 0 HG3 GLN A 91 -0.025 9.508 -13.085 1.00 33.52 H new ATOM 0 HE21 GLN A 91 -1.532 10.120 -11.589 1.00 45.13 H new ATOM 0 HE22 GLN A 91 -1.720 11.777 -11.005 1.00 45.13 H new ATOM 1469 N GLN A 92 2.156 6.642 -11.518 1.00 40.35 N ATOM 1470 CA GLN A 92 1.966 5.269 -11.971 1.00 10.22 C ATOM 1471 C GLN A 92 1.163 4.467 -10.952 1.00 71.24 C ATOM 1472 O GLN A 92 0.344 3.625 -11.318 1.00 32.11 O ATOM 1473 CB GLN A 92 3.319 4.598 -12.214 1.00 51.20 C ATOM 1474 CG GLN A 92 3.702 4.516 -13.683 1.00 11.01 C ATOM 1475 CD GLN A 92 4.265 3.161 -14.064 1.00 52.13 C ATOM 1476 OE1 GLN A 92 3.521 2.240 -14.402 1.00 31.43 O ATOM 1477 NE2 GLN A 92 5.585 3.033 -14.013 1.00 24.41 N ATOM 0 H GLN A 92 3.124 6.887 -11.307 1.00 40.35 H new ATOM 0 HA GLN A 92 1.408 5.295 -12.907 1.00 10.22 H new ATOM 0 HB2 GLN A 92 4.090 5.149 -11.676 1.00 51.20 H new ATOM 0 HB3 GLN A 92 3.296 3.592 -11.796 1.00 51.20 H new ATOM 0 HG2 GLN A 92 2.825 4.726 -14.296 1.00 11.01 H new ATOM 0 HG3 GLN A 92 4.439 5.287 -13.906 1.00 11.01 H new ATOM 0 HE21 GLN A 92 6.163 3.823 -13.727 1.00 24.41 H new ATOM 0 HE22 GLN A 92 6.021 2.145 -14.260 1.00 24.41 H new ATOM 1486 N ASN A 93 1.404 4.734 -9.673 1.00 21.11 N ATOM 1487 CA ASN A 93 0.704 4.036 -8.601 1.00 74.41 C ATOM 1488 C ASN A 93 -0.775 4.412 -8.582 1.00 2.01 C ATOM 1489 O ASN A 93 -1.643 3.555 -8.417 1.00 73.15 O ATOM 1490 CB ASN A 93 1.342 4.362 -7.249 1.00 70.44 C ATOM 1491 CG ASN A 93 2.855 4.422 -7.324 1.00 44.33 C ATOM 1492 OD1 ASN A 93 3.479 5.333 -6.778 1.00 60.53 O ATOM 1493 ND2 ASN A 93 3.453 3.450 -8.003 1.00 44.34 N ATOM 0 H ASN A 93 2.079 5.429 -9.353 1.00 21.11 H new ATOM 0 HA ASN A 93 0.786 2.965 -8.785 1.00 74.41 H new ATOM 0 HB2 ASN A 93 0.960 5.318 -6.891 1.00 70.44 H new ATOM 0 HB3 ASN A 93 1.047 3.608 -6.520 1.00 70.44 H new ATOM 0 HD21 ASN A 93 4.469 3.438 -8.088 1.00 44.34 H new ATOM 0 HD22 ASN A 93 2.896 2.715 -8.439 1.00 44.34 H new ATOM 1500 N LYS A 94 -1.054 5.700 -8.752 1.00 21.12 N ATOM 1501 CA LYS A 94 -2.427 6.192 -8.756 1.00 64.42 C ATOM 1502 C LYS A 94 -3.223 5.572 -9.900 1.00 61.31 C ATOM 1503 O LYS A 94 -4.343 5.101 -9.704 1.00 64.31 O ATOM 1504 CB LYS A 94 -2.443 7.717 -8.877 1.00 52.12 C ATOM 1505 CG LYS A 94 -3.839 8.316 -8.833 1.00 64.40 C ATOM 1506 CD LYS A 94 -3.802 9.789 -8.463 1.00 20.24 C ATOM 1507 CE LYS A 94 -4.848 10.583 -9.231 1.00 24.35 C ATOM 1508 NZ LYS A 94 -5.567 11.547 -8.353 1.00 33.43 N ATOM 0 H LYS A 94 -0.347 6.422 -8.889 1.00 21.12 H new ATOM 0 HA LYS A 94 -2.893 5.904 -7.814 1.00 64.42 H new ATOM 0 HB2 LYS A 94 -1.848 8.143 -8.069 1.00 52.12 H new ATOM 0 HB3 LYS A 94 -1.963 8.004 -9.812 1.00 52.12 H new ATOM 0 HG2 LYS A 94 -4.318 8.196 -9.805 1.00 64.40 H new ATOM 0 HG3 LYS A 94 -4.446 7.773 -8.109 1.00 64.40 H new ATOM 0 HD2 LYS A 94 -3.973 9.901 -7.392 1.00 20.24 H new ATOM 0 HD3 LYS A 94 -2.811 10.193 -8.672 1.00 20.24 H new ATOM 0 HE2 LYS A 94 -4.367 11.123 -10.047 1.00 24.35 H new ATOM 0 HE3 LYS A 94 -5.566 9.898 -9.682 1.00 24.35 H new ATOM 0 HZ1 LYS A 94 -6.271 12.068 -8.913 1.00 33.43 H new ATOM 0 HZ2 LYS A 94 -6.047 11.030 -7.589 1.00 33.43 H new ATOM 0 HZ3 LYS A 94 -4.886 12.217 -7.942 1.00 33.43 H new ATOM 1522 N GLU A 95 -2.637 5.575 -11.093 1.00 64.32 N ATOM 1523 CA GLU A 95 -3.293 5.012 -12.267 1.00 63.44 C ATOM 1524 C GLU A 95 -3.365 3.490 -12.173 1.00 41.20 C ATOM 1525 O GLU A 95 -4.336 2.875 -12.614 1.00 14.43 O ATOM 1526 CB GLU A 95 -2.548 5.420 -13.540 1.00 61.21 C ATOM 1527 CG GLU A 95 -3.037 6.728 -14.138 1.00 50.14 C ATOM 1528 CD GLU A 95 -4.414 6.606 -14.761 1.00 53.01 C ATOM 1529 OE1 GLU A 95 -4.870 5.463 -14.976 1.00 1.53 O ATOM 1530 OE2 GLU A 95 -5.036 7.654 -15.033 1.00 55.24 O ATOM 0 H GLU A 95 -1.710 5.961 -11.272 1.00 64.32 H new ATOM 0 HA GLU A 95 -4.309 5.405 -12.307 1.00 63.44 H new ATOM 0 HB2 GLU A 95 -1.485 5.507 -13.317 1.00 61.21 H new ATOM 0 HB3 GLU A 95 -2.654 4.629 -14.282 1.00 61.21 H new ATOM 0 HG2 GLU A 95 -3.060 7.492 -13.361 1.00 50.14 H new ATOM 0 HG3 GLU A 95 -2.328 7.064 -14.895 1.00 50.14 H new ATOM 1537 N TYR A 96 -2.330 2.890 -11.596 1.00 70.42 N ATOM 1538 CA TYR A 96 -2.274 1.440 -11.446 1.00 44.33 C ATOM 1539 C TYR A 96 -3.493 0.923 -10.689 1.00 51.14 C ATOM 1540 O TYR A 96 -4.137 -0.039 -11.110 1.00 40.24 O ATOM 1541 CB TYR A 96 -0.994 1.032 -10.715 1.00 31.45 C ATOM 1542 CG TYR A 96 -0.920 -0.446 -10.404 1.00 21.30 C ATOM 1543 CD1 TYR A 96 -1.503 -0.964 -9.254 1.00 21.41 C ATOM 1544 CD2 TYR A 96 -0.266 -1.324 -11.260 1.00 33.34 C ATOM 1545 CE1 TYR A 96 -1.437 -2.314 -8.966 1.00 11.14 C ATOM 1546 CE2 TYR A 96 -0.197 -2.675 -10.980 1.00 61.31 C ATOM 1547 CZ TYR A 96 -0.784 -3.165 -9.832 1.00 25.31 C ATOM 1548 OH TYR A 96 -0.715 -4.510 -9.549 1.00 73.21 O ATOM 0 H TYR A 96 -1.519 3.384 -11.225 1.00 70.42 H new ATOM 0 HA TYR A 96 -2.273 0.996 -12.442 1.00 44.33 H new ATOM 0 HB2 TYR A 96 -0.134 1.310 -11.323 1.00 31.45 H new ATOM 0 HB3 TYR A 96 -0.922 1.595 -9.784 1.00 31.45 H new ATOM 0 HD1 TYR A 96 -2.016 -0.300 -8.574 1.00 21.41 H new ATOM 0 HD2 TYR A 96 0.196 -0.944 -12.159 1.00 33.34 H new ATOM 0 HE1 TYR A 96 -1.895 -2.700 -8.067 1.00 11.14 H new ATOM 0 HE2 TYR A 96 0.314 -3.344 -11.656 1.00 61.31 H new ATOM 0 HH TYR A 96 -0.222 -4.969 -10.260 1.00 73.21 H new ATOM 1558 N CYS A 97 -3.804 1.569 -9.571 1.00 34.40 N ATOM 1559 CA CYS A 97 -4.947 1.175 -8.754 1.00 24.04 C ATOM 1560 C CYS A 97 -6.258 1.460 -9.478 1.00 41.25 C ATOM 1561 O CYS A 97 -7.227 0.712 -9.348 1.00 24.03 O ATOM 1562 CB CYS A 97 -4.920 1.912 -7.414 1.00 4.11 C ATOM 1563 SG CYS A 97 -6.320 1.534 -6.335 1.00 31.43 S ATOM 0 H CYS A 97 -3.282 2.367 -9.209 1.00 34.40 H new ATOM 0 HA CYS A 97 -4.880 0.102 -8.573 1.00 24.04 H new ATOM 0 HB2 CYS A 97 -3.996 1.662 -6.893 1.00 4.11 H new ATOM 0 HB3 CYS A 97 -4.900 2.985 -7.602 1.00 4.11 H new ATOM 0 HG CYS A 97 -6.328 0.263 -6.064 1.00 31.43 H new ATOM 1569 N SER A 98 -6.282 2.548 -10.242 1.00 4.01 N ATOM 1570 CA SER A 98 -7.476 2.936 -10.983 1.00 61.44 C ATOM 1571 C SER A 98 -7.647 2.070 -12.228 1.00 35.32 C ATOM 1572 O SER A 98 -8.702 2.076 -12.863 1.00 34.35 O ATOM 1573 CB SER A 98 -7.398 4.411 -11.381 1.00 74.25 C ATOM 1574 OG SER A 98 -6.560 4.591 -12.509 1.00 42.34 O ATOM 0 H SER A 98 -5.488 3.176 -10.364 1.00 4.01 H new ATOM 0 HA SER A 98 -8.340 2.787 -10.336 1.00 61.44 H new ATOM 0 HB2 SER A 98 -8.398 4.784 -11.603 1.00 74.25 H new ATOM 0 HB3 SER A 98 -7.018 4.997 -10.544 1.00 74.25 H new ATOM 0 HG SER A 98 -5.840 3.926 -12.491 1.00 42.34 H new ATOM 1580 N LYS A 99 -6.602 1.325 -12.571 1.00 71.03 N ATOM 1581 CA LYS A 99 -6.635 0.452 -13.738 1.00 64.35 C ATOM 1582 C LYS A 99 -7.773 -0.558 -13.631 1.00 51.32 C ATOM 1583 O LYS A 99 -8.218 -1.113 -14.635 1.00 14.20 O ATOM 1584 CB LYS A 99 -5.300 -0.283 -13.889 1.00 54.51 C ATOM 1585 CG LYS A 99 -5.246 -1.204 -15.095 1.00 70.12 C ATOM 1586 CD LYS A 99 -3.949 -1.994 -15.135 1.00 62.41 C ATOM 1587 CE LYS A 99 -3.821 -2.917 -13.933 1.00 0.04 C ATOM 1588 NZ LYS A 99 -3.324 -4.266 -14.319 1.00 70.53 N ATOM 0 H LYS A 99 -5.721 1.308 -12.057 1.00 71.03 H new ATOM 0 HA LYS A 99 -6.804 1.072 -14.619 1.00 64.35 H new ATOM 0 HB2 LYS A 99 -4.498 0.451 -13.966 1.00 54.51 H new ATOM 0 HB3 LYS A 99 -5.112 -0.867 -12.988 1.00 54.51 H new ATOM 0 HG2 LYS A 99 -6.091 -1.892 -15.067 1.00 70.12 H new ATOM 0 HG3 LYS A 99 -5.343 -0.616 -16.008 1.00 70.12 H new ATOM 0 HD2 LYS A 99 -3.908 -2.582 -16.052 1.00 62.41 H new ATOM 0 HD3 LYS A 99 -3.104 -1.306 -15.159 1.00 62.41 H new ATOM 0 HE2 LYS A 99 -3.141 -2.474 -13.206 1.00 0.04 H new ATOM 0 HE3 LYS A 99 -4.791 -3.013 -13.445 1.00 0.04 H new ATOM 0 HZ1 LYS A 99 -3.251 -4.865 -13.472 1.00 70.53 H new ATOM 0 HZ2 LYS A 99 -3.986 -4.700 -14.993 1.00 70.53 H new ATOM 0 HZ3 LYS A 99 -2.387 -4.177 -14.762 1.00 70.53 H new ATOM 1602 N GLU A 100 -8.240 -0.789 -12.408 1.00 42.10 N ATOM 1603 CA GLU A 100 -9.327 -1.731 -12.171 1.00 71.35 C ATOM 1604 C GLU A 100 -10.656 -1.162 -12.660 1.00 71.53 C ATOM 1605 O GLU A 100 -11.609 -1.902 -12.902 1.00 32.04 O ATOM 1606 CB GLU A 100 -9.422 -2.071 -10.683 1.00 31.43 C ATOM 1607 CG GLU A 100 -8.210 -2.818 -10.150 1.00 54.14 C ATOM 1608 CD GLU A 100 -7.978 -2.574 -8.672 1.00 32.11 C ATOM 1609 OE1 GLU A 100 -8.696 -3.181 -7.850 1.00 23.30 O ATOM 1610 OE2 GLU A 100 -7.078 -1.776 -8.337 1.00 50.31 O ATOM 0 H GLU A 100 -7.883 -0.337 -11.566 1.00 42.10 H new ATOM 0 HA GLU A 100 -9.113 -2.641 -12.731 1.00 71.35 H new ATOM 0 HB2 GLU A 100 -9.548 -1.149 -10.116 1.00 31.43 H new ATOM 0 HB3 GLU A 100 -10.314 -2.674 -10.513 1.00 31.43 H new ATOM 0 HG2 GLU A 100 -8.342 -3.886 -10.322 1.00 54.14 H new ATOM 0 HG3 GLU A 100 -7.325 -2.512 -10.708 1.00 54.14 H new ATOM 1617 N GLY A 101 -10.711 0.158 -12.803 1.00 52.43 N ATOM 1618 CA GLY A 101 -11.927 0.805 -13.262 1.00 20.25 C ATOM 1619 C GLY A 101 -12.923 1.028 -12.141 1.00 4.44 C ATOM 1620 O GLY A 101 -13.976 1.628 -12.348 1.00 54.22 O ATOM 0 H GLY A 101 -9.935 0.792 -12.609 1.00 52.43 H new ATOM 0 HA2 GLY A 101 -11.676 1.763 -13.717 1.00 20.25 H new ATOM 0 HA3 GLY A 101 -12.389 0.195 -14.038 1.00 20.25 H new ATOM 1624 N ASN A 102 -12.589 0.543 -10.949 1.00 42.22 N ATOM 1625 CA ASN A 102 -13.463 0.691 -9.791 1.00 50.33 C ATOM 1626 C ASN A 102 -12.704 1.288 -8.610 1.00 15.13 C ATOM 1627 O ASN A 102 -11.682 0.752 -8.180 1.00 0.42 O ATOM 1628 CB ASN A 102 -14.058 -0.663 -9.399 1.00 2.44 C ATOM 1629 CG ASN A 102 -15.531 -0.768 -9.742 1.00 70.53 C ATOM 1630 OD1 ASN A 102 -15.950 -0.412 -10.844 1.00 10.03 O ATOM 1631 ND2 ASN A 102 -16.325 -1.260 -8.798 1.00 62.32 N ATOM 0 H ASN A 102 -11.720 0.044 -10.760 1.00 42.22 H new ATOM 0 HA ASN A 102 -14.271 1.371 -10.061 1.00 50.33 H new ATOM 0 HB2 ASN A 102 -13.512 -1.458 -9.907 1.00 2.44 H new ATOM 0 HB3 ASN A 102 -13.925 -0.819 -8.328 1.00 2.44 H new ATOM 0 HD21 ASN A 102 -17.326 -1.355 -8.972 1.00 62.32 H new ATOM 0 HD22 ASN A 102 -15.934 -1.542 -7.899 1.00 62.32 H new ATOM 1638 N LEU A 103 -13.212 2.400 -8.089 1.00 31.55 N ATOM 1639 CA LEU A 103 -12.583 3.070 -6.956 1.00 34.25 C ATOM 1640 C LEU A 103 -13.308 2.737 -5.655 1.00 73.03 C ATOM 1641 O LEU A 103 -14.535 2.812 -5.579 1.00 54.42 O ATOM 1642 CB LEU A 103 -12.574 4.584 -7.174 1.00 60.34 C ATOM 1643 CG LEU A 103 -11.196 5.243 -7.243 1.00 52.43 C ATOM 1644 CD1 LEU A 103 -10.533 5.238 -5.875 1.00 10.43 C ATOM 1645 CD2 LEU A 103 -10.318 4.538 -8.266 1.00 42.02 C ATOM 0 H LEU A 103 -14.057 2.856 -8.433 1.00 31.55 H new ATOM 0 HA LEU A 103 -11.556 2.714 -6.880 1.00 34.25 H new ATOM 0 HB2 LEU A 103 -13.105 4.801 -8.101 1.00 60.34 H new ATOM 0 HB3 LEU A 103 -13.138 5.051 -6.366 1.00 60.34 H new ATOM 0 HG LEU A 103 -11.325 6.279 -7.557 1.00 52.43 H new ATOM 0 HD11 LEU A 103 -9.553 5.711 -5.944 1.00 10.43 H new ATOM 0 HD12 LEU A 103 -11.153 5.789 -5.168 1.00 10.43 H new ATOM 0 HD13 LEU A 103 -10.416 4.210 -5.531 1.00 10.43 H new ATOM 0 HD21 LEU A 103 -9.341 5.021 -8.301 1.00 42.02 H new ATOM 0 HD22 LEU A 103 -10.196 3.493 -7.982 1.00 42.02 H new ATOM 0 HD23 LEU A 103 -10.787 4.595 -9.248 1.00 42.02 H new ATOM 1657 N LEU A 104 -12.542 2.371 -4.634 1.00 21.20 N ATOM 1658 CA LEU A 104 -13.111 2.029 -3.335 1.00 24.41 C ATOM 1659 C LEU A 104 -12.849 3.134 -2.317 1.00 44.44 C ATOM 1660 O LEU A 104 -13.690 3.420 -1.466 1.00 54.35 O ATOM 1661 CB LEU A 104 -12.525 0.708 -2.832 1.00 32.12 C ATOM 1662 CG LEU A 104 -13.489 -0.209 -2.077 1.00 64.25 C ATOM 1663 CD1 LEU A 104 -13.973 0.460 -0.800 1.00 64.33 C ATOM 1664 CD2 LEU A 104 -14.667 -0.589 -2.963 1.00 1.44 C ATOM 0 H LEU A 104 -11.525 2.303 -4.680 1.00 21.20 H new ATOM 0 HA LEU A 104 -14.189 1.920 -3.456 1.00 24.41 H new ATOM 0 HB2 LEU A 104 -12.129 0.160 -3.687 1.00 32.12 H new ATOM 0 HB3 LEU A 104 -11.682 0.933 -2.179 1.00 32.12 H new ATOM 0 HG LEU A 104 -12.956 -1.120 -1.805 1.00 64.25 H new ATOM 0 HD11 LEU A 104 -14.658 -0.207 -0.277 1.00 64.33 H new ATOM 0 HD12 LEU A 104 -13.120 0.680 -0.159 1.00 64.33 H new ATOM 0 HD13 LEU A 104 -14.489 1.387 -1.048 1.00 64.33 H new ATOM 0 HD21 LEU A 104 -15.343 -1.242 -2.410 1.00 1.44 H new ATOM 0 HD22 LEU A 104 -15.200 0.312 -3.266 1.00 1.44 H new ATOM 0 HD23 LEU A 104 -14.303 -1.110 -3.848 1.00 1.44 H new ATOM 1676 N MET A 105 -11.677 3.754 -2.413 1.00 41.12 N ATOM 1677 CA MET A 105 -11.306 4.831 -1.503 1.00 1.31 C ATOM 1678 C MET A 105 -10.378 5.828 -2.190 1.00 10.31 C ATOM 1679 O MET A 105 -9.448 5.439 -2.895 1.00 23.01 O ATOM 1680 CB MET A 105 -10.628 4.263 -0.255 1.00 32.42 C ATOM 1681 CG MET A 105 -9.769 5.275 0.485 1.00 12.11 C ATOM 1682 SD MET A 105 -9.849 5.077 2.275 1.00 12.45 S ATOM 1683 CE MET A 105 -8.317 4.205 2.589 1.00 64.14 C ATOM 0 H MET A 105 -10.969 3.529 -3.111 1.00 41.12 H new ATOM 0 HA MET A 105 -12.216 5.352 -1.208 1.00 1.31 H new ATOM 0 HB2 MET A 105 -11.393 3.883 0.423 1.00 32.42 H new ATOM 0 HB3 MET A 105 -10.008 3.414 -0.543 1.00 32.42 H new ATOM 0 HG2 MET A 105 -8.734 5.175 0.158 1.00 12.11 H new ATOM 0 HG3 MET A 105 -10.091 6.282 0.220 1.00 12.11 H new ATOM 0 HE1 MET A 105 -8.015 4.362 3.625 1.00 64.14 H new ATOM 0 HE2 MET A 105 -8.462 3.140 2.410 1.00 64.14 H new ATOM 0 HE3 MET A 105 -7.541 4.582 1.924 1.00 64.14 H new ATOM 1693 N GLU A 106 -10.639 7.115 -1.979 1.00 65.23 N ATOM 1694 CA GLU A 106 -9.826 8.166 -2.580 1.00 53.22 C ATOM 1695 C GLU A 106 -9.447 9.220 -1.544 1.00 15.32 C ATOM 1696 O GLU A 106 -10.278 10.036 -1.140 1.00 64.31 O ATOM 1697 CB GLU A 106 -10.578 8.823 -3.740 1.00 35.42 C ATOM 1698 CG GLU A 106 -9.670 9.529 -4.732 1.00 53.11 C ATOM 1699 CD GLU A 106 -10.431 10.450 -5.667 1.00 33.55 C ATOM 1700 OE1 GLU A 106 -10.669 11.615 -5.287 1.00 4.45 O ATOM 1701 OE2 GLU A 106 -10.790 10.005 -6.777 1.00 24.52 O ATOM 0 H GLU A 106 -11.405 7.454 -1.398 1.00 65.23 H new ATOM 0 HA GLU A 106 -8.912 7.710 -2.961 1.00 53.22 H new ATOM 0 HB2 GLU A 106 -11.154 8.062 -4.266 1.00 35.42 H new ATOM 0 HB3 GLU A 106 -11.292 9.542 -3.338 1.00 35.42 H new ATOM 0 HG2 GLU A 106 -8.923 10.107 -4.188 1.00 53.11 H new ATOM 0 HG3 GLU A 106 -9.132 8.785 -5.319 1.00 53.11 H new ATOM 1708 N CYS A 107 -8.190 9.197 -1.117 1.00 63.25 N ATOM 1709 CA CYS A 107 -7.700 10.149 -0.127 1.00 11.10 C ATOM 1710 C CYS A 107 -6.207 10.402 -0.308 1.00 21.05 C ATOM 1711 O CYS A 107 -5.565 9.803 -1.169 1.00 71.04 O ATOM 1712 CB CYS A 107 -7.975 9.633 1.286 1.00 11.33 C ATOM 1713 SG CYS A 107 -9.643 9.987 1.890 1.00 65.24 S ATOM 0 H CYS A 107 -7.491 8.529 -1.441 1.00 63.25 H new ATOM 0 HA CYS A 107 -8.229 11.091 -0.271 1.00 11.10 H new ATOM 0 HB2 CYS A 107 -7.814 8.555 1.305 1.00 11.33 H new ATOM 0 HB3 CYS A 107 -7.251 10.075 1.970 1.00 11.33 H new ATOM 0 HG CYS A 107 -10.458 10.084 0.882 1.00 65.24 H new ATOM 1719 N GLY A 108 -5.660 11.296 0.511 1.00 22.53 N ATOM 1720 CA GLY A 108 -4.247 11.614 0.424 1.00 24.35 C ATOM 1721 C GLY A 108 -3.929 12.530 -0.740 1.00 51.33 C ATOM 1722 O GLY A 108 -4.803 12.846 -1.547 1.00 34.23 O ATOM 0 H GLY A 108 -6.170 11.805 1.233 1.00 22.53 H new ATOM 0 HA2 GLY A 108 -3.927 12.087 1.352 1.00 24.35 H new ATOM 0 HA3 GLY A 108 -3.676 10.691 0.323 1.00 24.35 H new ATOM 1726 N ALA A 109 -2.675 12.960 -0.828 1.00 44.20 N ATOM 1727 CA ALA A 109 -2.244 13.846 -1.903 1.00 30.13 C ATOM 1728 C ALA A 109 -1.275 13.137 -2.843 1.00 51.21 C ATOM 1729 O ALA A 109 -0.655 12.133 -2.493 1.00 21.12 O ATOM 1730 CB ALA A 109 -1.603 15.100 -1.328 1.00 5.11 C ATOM 0 H ALA A 109 -1.939 12.709 -0.168 1.00 44.20 H new ATOM 0 HA ALA A 109 -3.124 14.133 -2.479 1.00 30.13 H new ATOM 0 HB1 ALA A 109 -1.286 15.752 -2.142 1.00 5.11 H new ATOM 0 HB2 ALA A 109 -2.326 15.624 -0.703 1.00 5.11 H new ATOM 0 HB3 ALA A 109 -0.737 14.823 -0.727 1.00 5.11 H new ATOM 1736 N PRO A 110 -1.141 13.670 -4.067 1.00 24.23 N ATOM 1737 CA PRO A 110 -0.248 13.104 -5.083 1.00 35.32 C ATOM 1738 C PRO A 110 1.223 13.292 -4.732 1.00 4.41 C ATOM 1739 O PRO A 110 1.707 14.420 -4.629 1.00 60.10 O ATOM 1740 CB PRO A 110 -0.603 13.893 -6.345 1.00 43.25 C ATOM 1741 CG PRO A 110 -1.148 15.186 -5.844 1.00 24.34 C ATOM 1742 CD PRO A 110 -1.849 14.866 -4.552 1.00 42.14 C ATOM 0 HA PRO A 110 -0.379 12.027 -5.186 1.00 35.32 H new ATOM 0 HB2 PRO A 110 0.274 14.050 -6.973 1.00 43.25 H new ATOM 0 HB3 PRO A 110 -1.338 13.362 -6.950 1.00 43.25 H new ATOM 0 HG2 PRO A 110 -0.350 15.911 -5.686 1.00 24.34 H new ATOM 0 HG3 PRO A 110 -1.838 15.624 -6.565 1.00 24.34 H new ATOM 0 HD2 PRO A 110 -1.779 15.690 -3.842 1.00 42.14 H new ATOM 0 HD3 PRO A 110 -2.910 14.669 -4.708 1.00 42.14 H new ATOM 1750 N ARG A 111 1.931 12.182 -4.550 1.00 13.02 N ATOM 1751 CA ARG A 111 3.348 12.226 -4.210 1.00 33.03 C ATOM 1752 C ARG A 111 4.177 12.707 -5.397 1.00 21.41 C ATOM 1753 O ARG A 111 3.772 12.560 -6.550 1.00 70.20 O ATOM 1754 CB ARG A 111 3.830 10.845 -3.763 1.00 32.40 C ATOM 1755 CG ARG A 111 3.467 10.508 -2.326 1.00 2.43 C ATOM 1756 CD ARG A 111 4.667 10.645 -1.402 1.00 23.01 C ATOM 1757 NE ARG A 111 5.387 11.897 -1.621 1.00 30.21 N ATOM 1758 CZ ARG A 111 4.930 13.084 -1.237 1.00 64.32 C ATOM 1759 NH1 ARG A 111 3.762 13.180 -0.618 1.00 70.20 N ATOM 1760 NH2 ARG A 111 5.644 14.178 -1.472 1.00 75.22 N ATOM 0 H ARG A 111 1.546 11.241 -4.632 1.00 13.02 H new ATOM 0 HA ARG A 111 3.478 12.931 -3.389 1.00 33.03 H new ATOM 0 HB2 ARG A 111 3.404 10.090 -4.423 1.00 32.40 H new ATOM 0 HB3 ARG A 111 4.913 10.793 -3.877 1.00 32.40 H new ATOM 0 HG2 ARG A 111 2.668 11.168 -1.987 1.00 2.43 H new ATOM 0 HG3 ARG A 111 3.082 9.489 -2.276 1.00 2.43 H new ATOM 0 HD2 ARG A 111 4.334 10.595 -0.365 1.00 23.01 H new ATOM 0 HD3 ARG A 111 5.344 9.805 -1.560 1.00 23.01 H new ATOM 0 HE ARG A 111 6.290 11.858 -2.094 1.00 30.21 H new ATOM 0 HH11 ARG A 111 3.211 12.341 -0.435 1.00 70.20 H new ATOM 0 HH12 ARG A 111 3.414 14.093 -0.324 1.00 70.20 H new ATOM 0 HH21 ARG A 111 6.544 14.107 -1.947 1.00 75.22 H new ATOM 0 HH22 ARG A 111 5.293 15.089 -1.177 1.00 75.22 H new ATOM 1774 N SER A 112 5.340 13.282 -5.106 1.00 34.30 N ATOM 1775 CA SER A 112 6.224 13.788 -6.149 1.00 21.01 C ATOM 1776 C SER A 112 7.686 13.644 -5.738 1.00 64.32 C ATOM 1777 O SER A 112 7.990 13.166 -4.646 1.00 24.42 O ATOM 1778 CB SER A 112 5.909 15.255 -6.447 1.00 13.02 C ATOM 1779 OG SER A 112 6.003 16.045 -5.274 1.00 52.22 O ATOM 0 H SER A 112 5.691 13.409 -4.157 1.00 34.30 H new ATOM 0 HA SER A 112 6.057 13.198 -7.050 1.00 21.01 H new ATOM 0 HB2 SER A 112 6.600 15.633 -7.200 1.00 13.02 H new ATOM 0 HB3 SER A 112 4.906 15.337 -6.865 1.00 13.02 H new ATOM 0 HG SER A 112 5.799 16.979 -5.491 1.00 52.22 H new ATOM 1785 N GLN A 113 8.587 14.061 -6.623 1.00 33.44 N ATOM 1786 CA GLN A 113 10.017 13.977 -6.353 1.00 2.31 C ATOM 1787 C GLN A 113 10.749 15.193 -6.913 1.00 75.32 C ATOM 1788 O GLN A 113 11.412 15.924 -6.179 1.00 31.41 O ATOM 1789 CB GLN A 113 10.597 12.696 -6.955 1.00 3.15 C ATOM 1790 CG GLN A 113 12.003 12.379 -6.471 1.00 1.03 C ATOM 1791 CD GLN A 113 13.002 12.279 -7.606 1.00 64.22 C ATOM 1792 OE1 GLN A 113 13.551 11.209 -7.873 1.00 40.22 O ATOM 1793 NE2 GLN A 113 13.244 13.396 -8.282 1.00 65.35 N ATOM 0 H GLN A 113 8.352 14.460 -7.532 1.00 33.44 H new ATOM 0 HA GLN A 113 10.157 13.957 -5.272 1.00 2.31 H new ATOM 0 HB2 GLN A 113 9.941 11.860 -6.711 1.00 3.15 H new ATOM 0 HB3 GLN A 113 10.607 12.787 -8.041 1.00 3.15 H new ATOM 0 HG2 GLN A 113 12.326 13.153 -5.775 1.00 1.03 H new ATOM 0 HG3 GLN A 113 11.990 11.439 -5.920 1.00 1.03 H new ATOM 0 HE21 GLN A 113 12.766 14.260 -8.026 1.00 65.35 H new ATOM 0 HE22 GLN A 113 13.907 13.390 -9.057 1.00 65.35 H new ATOM 1802 N GLY A 114 10.623 15.403 -8.220 1.00 73.42 N ATOM 1803 CA GLY A 114 11.278 16.530 -8.857 1.00 14.32 C ATOM 1804 C GLY A 114 11.868 16.172 -10.206 1.00 70.11 C ATOM 1805 O GLY A 114 11.980 14.995 -10.548 1.00 51.01 O ATOM 0 H GLY A 114 10.079 14.812 -8.849 1.00 73.42 H new ATOM 0 HA2 GLY A 114 10.560 17.340 -8.982 1.00 14.32 H new ATOM 0 HA3 GLY A 114 12.069 16.902 -8.206 1.00 14.32 H new ATOM 1809 N GLN A 115 12.245 17.189 -10.975 1.00 32.25 N ATOM 1810 CA GLN A 115 12.824 16.974 -12.295 1.00 63.11 C ATOM 1811 C GLN A 115 14.168 17.685 -12.422 1.00 72.51 C ATOM 1812 O GLN A 115 14.227 18.912 -12.501 1.00 71.30 O ATOM 1813 CB GLN A 115 11.868 17.468 -13.382 1.00 12.23 C ATOM 1814 CG GLN A 115 10.432 17.009 -13.183 1.00 63.14 C ATOM 1815 CD GLN A 115 9.589 17.173 -14.433 1.00 2.25 C ATOM 1816 OE1 GLN A 115 9.995 16.778 -15.526 1.00 3.51 O ATOM 1817 NE2 GLN A 115 8.407 17.758 -14.277 1.00 4.23 N ATOM 0 H GLN A 115 12.160 18.169 -10.706 1.00 32.25 H new ATOM 0 HA GLN A 115 12.986 15.904 -12.423 1.00 63.11 H new ATOM 0 HB2 GLN A 115 11.892 18.557 -13.408 1.00 12.23 H new ATOM 0 HB3 GLN A 115 12.222 17.118 -14.352 1.00 12.23 H new ATOM 0 HG2 GLN A 115 10.428 15.962 -12.881 1.00 63.14 H new ATOM 0 HG3 GLN A 115 9.982 17.577 -12.369 1.00 63.14 H new ATOM 0 HE21 GLN A 115 8.110 18.070 -13.352 1.00 4.23 H new ATOM 0 HE22 GLN A 115 7.796 17.895 -15.082 1.00 4.23 H new ATOM 1826 N ARG A 116 15.244 16.905 -12.441 1.00 3.42 N ATOM 1827 CA ARG A 116 16.587 17.461 -12.557 1.00 24.44 C ATOM 1828 C ARG A 116 17.124 17.294 -13.975 1.00 63.31 C ATOM 1829 O ARG A 116 18.099 17.940 -14.360 1.00 60.53 O ATOM 1830 CB ARG A 116 17.530 16.783 -11.560 1.00 51.21 C ATOM 1831 CG ARG A 116 17.658 15.283 -11.766 1.00 33.30 C ATOM 1832 CD ARG A 116 17.435 14.521 -10.469 1.00 1.55 C ATOM 1833 NE ARG A 116 18.290 13.342 -10.373 1.00 24.44 N ATOM 1834 CZ ARG A 116 18.024 12.190 -10.978 1.00 62.32 C ATOM 1835 NH1 ARG A 116 16.932 12.064 -11.720 1.00 25.30 N ATOM 1836 NH2 ARG A 116 18.851 11.161 -10.843 1.00 63.10 N ATOM 0 H ARG A 116 15.212 15.887 -12.378 1.00 3.42 H new ATOM 0 HA ARG A 116 16.533 18.526 -12.330 1.00 24.44 H new ATOM 0 HB2 ARG A 116 18.517 17.238 -11.640 1.00 51.21 H new ATOM 0 HB3 ARG A 116 17.173 16.973 -10.548 1.00 51.21 H new ATOM 0 HG2 ARG A 116 16.934 14.954 -12.511 1.00 33.30 H new ATOM 0 HG3 ARG A 116 18.648 15.052 -12.159 1.00 33.30 H new ATOM 0 HD2 ARG A 116 17.630 15.180 -9.623 1.00 1.55 H new ATOM 0 HD3 ARG A 116 16.390 14.218 -10.402 1.00 1.55 H new ATOM 0 HE ARG A 116 19.138 13.406 -9.810 1.00 24.44 H new ATOM 0 HH11 ARG A 116 16.294 12.853 -11.827 1.00 25.30 H new ATOM 0 HH12 ARG A 116 16.730 11.178 -12.184 1.00 25.30 H new ATOM 0 HH21 ARG A 116 19.692 11.254 -10.274 1.00 63.10 H new ATOM 0 HH22 ARG A 116 18.645 10.277 -11.308 1.00 63.10 H new TER 1850 ARG A 116