USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 670 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.923 K(o=-1.2,f=-4.5!) USER MOD Set 1.3: A 85 LYS NZ :NH3+ 164:sc= -0.309 (180deg=-0.542) USER MOD Set 2.1: A 72 GLN : amide:sc= -4.43! C(o=-3.4!,f=-5.3!) USER MOD Set 2.2: A 74 SER OG : rot 134:sc= 1.05 USER MOD Set 3.1: A 63 GLN :FLIP amide:sc= -0.445 F(o=-8.4!,f=-3.5) USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -3.04 F(o=-8.6!,f=-3.5) USER MOD Set 4.1: A 40 THR OG1 : rot 174:sc= 1.94 USER MOD Set 4.2: A 47 TYR OH : rot 147:sc= 0.539 USER MOD Set 5.1: A 26 HIS : no HD1:sc= -7.62! C(o=-8.8!,f=-9.8!) USER MOD Set 5.2: A 27 CYS SG : rot 180:sc= -1.17 USER MOD Set 6.1: A 23 ASN : amide:sc= 0.374 K(o=1.3,f=-2.2) USER MOD Set 6.2: A 25 CYS SG : rot 180:sc= 0 USER MOD Set 6.3: A 28 LYS NZ :NH3+ -106:sc= 0.902 (180deg=0) USER MOD Set 6.4: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 7.2: A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -113:sc= 0.0488 (180deg=-0.385) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.14 F(o=-3.1!,f=-1.1) USER MOD Single : A 13 HIS : no HD1:sc= -4.89! C(o=-4.9!,f=-4.8!) USER MOD Single : A 16 SER OG : rot -45:sc= 0.668 USER MOD Single : A 17 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.81) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 60:sc= 0.22 USER MOD Single : A 32 TYR OH : rot 15:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0537 F(o=-2.2,f=-0.054) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= -2.59! (180deg=-2.88!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -0.0271 (180deg=-0.488) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.901 K(o=-0.9,f=-5.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.0393 K(o=0.039,f=-2!) USER MOD Single : A 64 THR OG1 : rot 165:sc= 0.344 USER MOD Single : A 66 GLN :FLIP amide:sc= -1.26 F(o=-4.1!,f=-1.3) USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= 0.334 (180deg=-0.00543) USER MOD Single : A 75 SER OG : rot 174:sc= 1.09 USER MOD Single : A 82 THR OG1 : rot -110:sc= 0.0978 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.914 -10.522 1.008 1.00 0.00 N ATOM 2 CA LEU A 1 13.050 -9.394 1.478 1.00 0.00 C ATOM 3 C LEU A 1 13.750 -8.046 1.256 1.00 0.00 C ATOM 4 O LEU A 1 14.852 -7.986 0.742 1.00 0.00 O ATOM 5 CB LEU A 1 12.820 -9.654 2.976 1.00 0.00 C ATOM 6 CG LEU A 1 14.128 -9.482 3.760 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.025 -8.307 4.737 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.459 -10.763 4.532 1.00 0.00 C ATOM 0 H1 LEU A 1 13.473 -10.977 0.183 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.850 -10.155 0.742 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.020 -11.220 1.772 1.00 0.00 H new ATOM 0 HA LEU A 1 12.109 -9.346 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.067 -8.965 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.433 -10.663 3.121 1.00 0.00 H new ATOM 0 HG LEU A 1 14.925 -9.277 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 1 14.963 -8.204 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.824 -7.390 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.214 -8.490 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.389 -10.626 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.653 -10.985 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.571 -11.591 3.832 1.00 0.00 H new ATOM 22 N ASP A 2 13.107 -6.965 1.641 1.00 0.00 N ATOM 23 CA ASP A 2 13.706 -5.601 1.461 1.00 0.00 C ATOM 24 C ASP A 2 14.213 -5.404 0.019 1.00 0.00 C ATOM 25 O ASP A 2 15.380 -5.125 -0.190 1.00 0.00 O ATOM 26 CB ASP A 2 14.871 -5.549 2.459 1.00 0.00 C ATOM 27 CG ASP A 2 15.084 -4.113 2.952 1.00 0.00 C ATOM 28 OD1 ASP A 2 15.244 -3.233 2.120 1.00 0.00 O ATOM 29 OD2 ASP A 2 15.089 -3.918 4.156 1.00 0.00 O ATOM 0 H ASP A 2 12.184 -6.971 2.076 1.00 0.00 H new ATOM 0 HA ASP A 2 12.977 -4.810 1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.664 -6.204 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.781 -5.917 1.986 1.00 0.00 H new ATOM 34 N PRO A 3 13.319 -5.550 -0.937 1.00 0.00 N ATOM 35 CA PRO A 3 13.692 -5.382 -2.352 1.00 0.00 C ATOM 36 C PRO A 3 13.450 -3.920 -2.776 1.00 0.00 C ATOM 37 O PRO A 3 14.256 -3.052 -2.501 1.00 0.00 O ATOM 38 CB PRO A 3 12.753 -6.357 -3.063 1.00 0.00 C ATOM 39 CG PRO A 3 11.563 -6.513 -2.146 1.00 0.00 C ATOM 40 CD PRO A 3 11.897 -5.886 -0.807 1.00 0.00 C ATOM 0 HA PRO A 3 14.739 -5.583 -2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.450 -5.971 -4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.242 -7.315 -3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.686 -6.033 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.319 -7.568 -2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.290 -5.001 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.721 -6.578 0.016 1.00 0.00 H new ATOM 48 N VAL A 4 12.335 -3.639 -3.408 1.00 0.00 N ATOM 49 CA VAL A 4 12.019 -2.235 -3.813 1.00 0.00 C ATOM 50 C VAL A 4 11.634 -1.448 -2.553 1.00 0.00 C ATOM 51 O VAL A 4 12.293 -0.509 -2.152 1.00 0.00 O ATOM 52 CB VAL A 4 10.817 -2.383 -4.756 1.00 0.00 C ATOM 53 CG1 VAL A 4 10.036 -1.086 -4.989 1.00 0.00 C ATOM 54 CG2 VAL A 4 11.296 -2.897 -6.119 1.00 0.00 C ATOM 0 H VAL A 4 11.627 -4.328 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 4 12.845 -1.710 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 4 10.142 -3.084 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.204 -1.279 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.652 -0.717 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.696 -0.338 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.442 -3.002 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.007 -2.189 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.780 -3.866 -5.993 1.00 0.00 H new ATOM 64 N ASP A 5 10.581 -1.883 -1.920 1.00 0.00 N ATOM 65 CA ASP A 5 10.098 -1.264 -0.651 1.00 0.00 C ATOM 66 C ASP A 5 9.305 -2.345 0.087 1.00 0.00 C ATOM 67 O ASP A 5 9.691 -2.760 1.161 1.00 0.00 O ATOM 68 CB ASP A 5 9.213 -0.072 -1.046 1.00 0.00 C ATOM 69 CG ASP A 5 9.569 1.138 -0.178 1.00 0.00 C ATOM 70 OD1 ASP A 5 10.514 1.828 -0.516 1.00 0.00 O ATOM 71 OD2 ASP A 5 8.889 1.354 0.810 1.00 0.00 O ATOM 0 H ASP A 5 10.015 -2.669 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 5 10.897 -0.906 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.357 0.168 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.161 -0.328 -0.918 1.00 0.00 H new ATOM 76 N PRO A 6 8.253 -2.822 -0.551 1.00 0.00 N ATOM 77 CA PRO A 6 7.455 -3.917 0.003 1.00 0.00 C ATOM 78 C PRO A 6 7.938 -5.223 -0.642 1.00 0.00 C ATOM 79 O PRO A 6 8.995 -5.259 -1.243 1.00 0.00 O ATOM 80 CB PRO A 6 6.042 -3.563 -0.441 1.00 0.00 C ATOM 81 CG PRO A 6 6.215 -2.705 -1.668 1.00 0.00 C ATOM 82 CD PRO A 6 7.687 -2.399 -1.834 1.00 0.00 C ATOM 0 HA PRO A 6 7.522 -4.045 1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.464 -4.459 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.506 -3.026 0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.834 -3.222 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.645 -1.781 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.123 -2.948 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.861 -1.340 -2.023 1.00 0.00 H new ATOM 90 N ASN A 7 7.192 -6.288 -0.543 1.00 0.00 N ATOM 91 CA ASN A 7 7.653 -7.560 -1.181 1.00 0.00 C ATOM 92 C ASN A 7 7.402 -7.515 -2.695 1.00 0.00 C ATOM 93 O ASN A 7 8.317 -7.651 -3.485 1.00 0.00 O ATOM 94 CB ASN A 7 6.837 -8.672 -0.515 1.00 0.00 C ATOM 95 CG ASN A 7 7.391 -8.946 0.887 1.00 0.00 C ATOM 96 OD1 ASN A 7 8.304 -9.730 1.049 1.00 0.00 O ATOM 97 ND2 ASN A 7 6.873 -8.328 1.917 1.00 0.00 N ATOM 0 H ASN A 7 6.297 -6.337 -0.057 1.00 0.00 H new ATOM 0 HA ASN A 7 8.722 -7.724 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.789 -8.380 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 7 6.880 -9.579 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.236 -8.505 2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.106 -7.669 1.784 1.00 0.00 H new ATOM 104 N ILE A 8 6.173 -7.307 -3.102 1.00 0.00 N ATOM 105 CA ILE A 8 5.857 -7.234 -4.568 1.00 0.00 C ATOM 106 C ILE A 8 5.035 -5.969 -4.880 1.00 0.00 C ATOM 107 O ILE A 8 4.479 -5.839 -5.956 1.00 0.00 O ATOM 108 CB ILE A 8 5.050 -8.508 -4.914 1.00 0.00 C ATOM 109 CG1 ILE A 8 3.604 -8.403 -4.389 1.00 0.00 C ATOM 110 CG2 ILE A 8 5.734 -9.755 -4.332 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.557 -8.584 -2.867 1.00 0.00 C ATOM 0 H ILE A 8 5.372 -7.184 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 8 6.769 -7.179 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 8 5.017 -8.600 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.186 -7.433 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.984 -9.160 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.152 -10.641 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.737 -9.848 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.799 -9.662 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.526 -8.505 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.953 -9.565 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.159 -7.810 -2.390 1.00 0.00 H new ATOM 123 N GLU A 9 4.949 -5.046 -3.944 1.00 0.00 N ATOM 124 CA GLU A 9 4.160 -3.788 -4.162 1.00 0.00 C ATOM 125 C GLU A 9 2.703 -4.115 -4.529 1.00 0.00 C ATOM 126 O GLU A 9 2.226 -3.700 -5.561 1.00 0.00 O ATOM 127 CB GLU A 9 4.863 -3.053 -5.314 1.00 0.00 C ATOM 128 CG GLU A 9 6.161 -2.417 -4.808 1.00 0.00 C ATOM 129 CD GLU A 9 6.880 -1.721 -5.965 1.00 0.00 C ATOM 130 OE1 GLU A 9 7.475 -2.416 -6.773 1.00 0.00 O ATOM 131 OE2 GLU A 9 6.827 -0.504 -6.022 1.00 0.00 O ATOM 0 H GLU A 9 5.397 -5.113 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 9 4.122 -3.176 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.080 -3.750 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.206 -2.285 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.941 -1.698 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.806 -3.181 -4.373 1.00 0.00 H new ATOM 138 N PRO A 10 2.044 -4.854 -3.661 1.00 0.00 N ATOM 139 CA PRO A 10 0.625 -5.241 -3.894 1.00 0.00 C ATOM 140 C PRO A 10 -0.332 -4.128 -3.440 1.00 0.00 C ATOM 141 O PRO A 10 -1.292 -4.375 -2.732 1.00 0.00 O ATOM 142 CB PRO A 10 0.441 -6.452 -2.999 1.00 0.00 C ATOM 143 CG PRO A 10 1.446 -6.282 -1.901 1.00 0.00 C ATOM 144 CD PRO A 10 2.563 -5.404 -2.405 1.00 0.00 C ATOM 0 HA PRO A 10 0.414 -5.429 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.573 -6.498 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.610 -7.378 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.977 -5.833 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.837 -7.252 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.802 -4.615 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.477 -5.975 -2.567 1.00 0.00 H new ATOM 152 N TRP A 11 -0.079 -2.911 -3.821 1.00 0.00 N ATOM 153 CA TRP A 11 -0.969 -1.795 -3.383 1.00 0.00 C ATOM 154 C TRP A 11 -1.572 -1.092 -4.599 1.00 0.00 C ATOM 155 O TRP A 11 -1.876 0.081 -4.569 1.00 0.00 O ATOM 156 CB TRP A 11 -0.041 -0.871 -2.598 1.00 0.00 C ATOM 157 CG TRP A 11 0.745 -1.695 -1.626 1.00 0.00 C ATOM 158 CD1 TRP A 11 2.078 -1.911 -1.690 1.00 0.00 C ATOM 159 CD2 TRP A 11 0.264 -2.445 -0.476 1.00 0.00 C ATOM 160 NE1 TRP A 11 2.446 -2.734 -0.642 1.00 0.00 N ATOM 161 CE2 TRP A 11 1.362 -3.090 0.132 1.00 0.00 C ATOM 162 CE3 TRP A 11 -1.006 -2.621 0.096 1.00 0.00 C ATOM 163 CZ2 TRP A 11 1.202 -3.882 1.266 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -1.166 -3.417 1.236 1.00 0.00 C ATOM 165 CH2 TRP A 11 -0.066 -4.045 1.818 1.00 0.00 C ATOM 0 H TRP A 11 0.703 -2.637 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.815 -2.127 -2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.630 -0.344 -3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.620 -0.113 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.745 -1.507 -2.437 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.402 -3.040 -0.463 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.865 -2.139 -0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.056 -4.367 1.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.148 -3.545 1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.197 -4.658 2.697 1.00 0.00 H new ATOM 176 N ASN A 12 -1.770 -1.824 -5.656 1.00 0.00 N ATOM 177 CA ASN A 12 -2.370 -1.245 -6.890 1.00 0.00 C ATOM 178 C ASN A 12 -3.758 -1.855 -7.062 1.00 0.00 C ATOM 179 O ASN A 12 -3.926 -2.913 -7.641 1.00 0.00 O ATOM 180 CB ASN A 12 -1.414 -1.603 -8.044 1.00 0.00 C ATOM 181 CG ASN A 12 -0.754 -2.973 -7.825 1.00 0.00 C ATOM 182 OD1 ASN A 12 0.193 -3.094 -6.926 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 -1.103 -3.939 -8.472 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.538 -2.815 -5.720 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.491 -0.162 -6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.964 -1.609 -8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.644 -0.837 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.840 -3.845 -9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.660 -4.844 -8.316 1.00 0.00 H new ATOM 190 N HIS A 13 -4.743 -1.214 -6.489 1.00 0.00 N ATOM 191 CA HIS A 13 -6.132 -1.758 -6.523 1.00 0.00 C ATOM 192 C HIS A 13 -7.029 -1.038 -7.543 1.00 0.00 C ATOM 193 O HIS A 13 -7.141 0.168 -7.525 1.00 0.00 O ATOM 194 CB HIS A 13 -6.667 -1.489 -5.109 1.00 0.00 C ATOM 195 CG HIS A 13 -5.943 -2.325 -4.078 1.00 0.00 C ATOM 196 ND1 HIS A 13 -6.518 -2.643 -2.856 1.00 0.00 N ATOM 197 CD2 HIS A 13 -4.697 -2.905 -4.062 1.00 0.00 C ATOM 198 CE1 HIS A 13 -5.630 -3.380 -2.165 1.00 0.00 C ATOM 199 NE2 HIS A 13 -4.502 -3.568 -2.853 1.00 0.00 N ATOM 0 H HIS A 13 -4.643 -0.328 -5.994 1.00 0.00 H new ATOM 0 HA HIS A 13 -6.131 -2.808 -6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.551 -0.432 -4.869 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.734 -1.709 -5.074 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.978 -2.854 -4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.808 -3.772 -1.174 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.675 -4.086 -2.557 1.00 0.00 H new ATOM 207 N PRO A 14 -7.694 -1.819 -8.363 1.00 0.00 N ATOM 208 CA PRO A 14 -8.658 -1.256 -9.348 1.00 0.00 C ATOM 209 C PRO A 14 -9.893 -0.704 -8.617 1.00 0.00 C ATOM 210 O PRO A 14 -10.707 -0.007 -9.187 1.00 0.00 O ATOM 211 CB PRO A 14 -9.060 -2.466 -10.185 1.00 0.00 C ATOM 212 CG PRO A 14 -8.817 -3.632 -9.285 1.00 0.00 C ATOM 213 CD PRO A 14 -7.611 -3.281 -8.459 1.00 0.00 C ATOM 0 HA PRO A 14 -8.238 -0.441 -9.938 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.105 -2.410 -10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.465 -2.535 -11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.682 -3.820 -8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.642 -4.540 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.643 -3.753 -7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.686 -3.603 -8.938 1.00 0.00 H new ATOM 221 N GLY A 15 -10.049 -1.053 -7.364 1.00 0.00 N ATOM 222 CA GLY A 15 -11.238 -0.598 -6.590 1.00 0.00 C ATOM 223 C GLY A 15 -12.426 -1.488 -6.965 1.00 0.00 C ATOM 224 O GLY A 15 -13.573 -1.111 -6.824 1.00 0.00 O ATOM 0 H GLY A 15 -9.396 -1.639 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.041 -0.660 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.460 0.445 -6.814 1.00 0.00 H new ATOM 228 N SER A 16 -12.142 -2.670 -7.458 1.00 0.00 N ATOM 229 CA SER A 16 -13.217 -3.614 -7.874 1.00 0.00 C ATOM 230 C SER A 16 -12.716 -5.068 -7.775 1.00 0.00 C ATOM 231 O SER A 16 -13.310 -5.973 -8.329 1.00 0.00 O ATOM 232 CB SER A 16 -13.485 -3.233 -9.331 1.00 0.00 C ATOM 233 OG SER A 16 -14.510 -4.058 -9.867 1.00 0.00 O ATOM 0 H SER A 16 -11.194 -3.022 -7.590 1.00 0.00 H new ATOM 0 HA SER A 16 -14.109 -3.552 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.780 -2.185 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.573 -3.343 -9.918 1.00 0.00 H new ATOM 0 HG SER A 16 -14.345 -4.990 -9.614 1.00 0.00 H new ATOM 239 N GLN A 17 -11.628 -5.293 -7.069 1.00 0.00 N ATOM 240 CA GLN A 17 -11.078 -6.671 -6.924 1.00 0.00 C ATOM 241 C GLN A 17 -10.419 -6.818 -5.543 1.00 0.00 C ATOM 242 O GLN A 17 -10.965 -7.462 -4.685 1.00 0.00 O ATOM 243 CB GLN A 17 -10.068 -6.832 -8.067 1.00 0.00 C ATOM 244 CG GLN A 17 -10.787 -7.270 -9.348 1.00 0.00 C ATOM 245 CD GLN A 17 -10.332 -6.394 -10.520 1.00 0.00 C ATOM 246 OE1 GLN A 17 -9.334 -6.679 -11.152 1.00 0.00 O ATOM 247 NE2 GLN A 17 -11.022 -5.329 -10.843 1.00 0.00 N ATOM 0 H GLN A 17 -11.097 -4.569 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.845 -7.444 -6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.547 -5.890 -8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.313 -7.569 -7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.570 -8.317 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.866 -7.188 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.860 -5.085 -10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.721 -4.743 -11.622 1.00 0.00 H new ATOM 256 N PRO A 18 -9.280 -6.193 -5.338 1.00 0.00 N ATOM 257 CA PRO A 18 -8.610 -6.289 -4.016 1.00 0.00 C ATOM 258 C PRO A 18 -9.499 -5.645 -2.944 1.00 0.00 C ATOM 259 O PRO A 18 -9.363 -5.919 -1.767 1.00 0.00 O ATOM 260 CB PRO A 18 -7.309 -5.520 -4.210 1.00 0.00 C ATOM 261 CG PRO A 18 -7.611 -4.593 -5.338 1.00 0.00 C ATOM 262 CD PRO A 18 -8.529 -5.343 -6.264 1.00 0.00 C ATOM 0 HA PRO A 18 -8.427 -7.312 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.028 -4.975 -3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.481 -6.187 -4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.084 -3.680 -4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.697 -4.296 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.183 -4.671 -6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.976 -5.930 -6.997 1.00 0.00 H new ATOM 270 N LYS A 19 -10.425 -4.811 -3.359 1.00 0.00 N ATOM 271 CA LYS A 19 -11.357 -4.164 -2.394 1.00 0.00 C ATOM 272 C LYS A 19 -12.685 -4.939 -2.348 1.00 0.00 C ATOM 273 O LYS A 19 -13.495 -4.727 -1.465 1.00 0.00 O ATOM 274 CB LYS A 19 -11.592 -2.746 -2.927 1.00 0.00 C ATOM 275 CG LYS A 19 -10.273 -2.120 -3.397 1.00 0.00 C ATOM 276 CD LYS A 19 -10.294 -0.612 -3.129 1.00 0.00 C ATOM 277 CE LYS A 19 -8.872 -0.125 -2.835 1.00 0.00 C ATOM 278 NZ LYS A 19 -9.047 1.288 -2.389 1.00 0.00 N ATOM 0 H LYS A 19 -10.572 -4.552 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.948 -4.150 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.302 -2.776 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.037 -2.128 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.434 -2.580 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.128 -2.308 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.699 -0.084 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.947 -0.391 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.397 -0.729 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.240 -0.186 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.118 1.699 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.497 1.839 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.649 1.312 -1.541 1.00 0.00 H new ATOM 292 N THR A 20 -12.925 -5.835 -3.293 1.00 0.00 N ATOM 293 CA THR A 20 -14.211 -6.600 -3.277 1.00 0.00 C ATOM 294 C THR A 20 -14.103 -7.971 -3.986 1.00 0.00 C ATOM 295 O THR A 20 -14.591 -8.962 -3.479 1.00 0.00 O ATOM 296 CB THR A 20 -15.232 -5.689 -3.976 1.00 0.00 C ATOM 297 OG1 THR A 20 -16.499 -6.334 -4.018 1.00 0.00 O ATOM 298 CG2 THR A 20 -14.772 -5.364 -5.401 1.00 0.00 C ATOM 0 H THR A 20 -12.291 -6.061 -4.060 1.00 0.00 H new ATOM 0 HA THR A 20 -14.504 -6.841 -2.255 1.00 0.00 H new ATOM 0 HB THR A 20 -15.314 -4.759 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.149 -5.750 -4.463 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.506 -4.718 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.809 -4.855 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.673 -6.288 -5.971 1.00 0.00 H new ATOM 306 N ALA A 21 -13.487 -8.044 -5.146 1.00 0.00 N ATOM 307 CA ALA A 21 -13.379 -9.365 -5.862 1.00 0.00 C ATOM 308 C ALA A 21 -12.037 -10.062 -5.562 1.00 0.00 C ATOM 309 O ALA A 21 -11.536 -10.829 -6.363 1.00 0.00 O ATOM 310 CB ALA A 21 -13.492 -9.024 -7.352 1.00 0.00 C ATOM 0 H ALA A 21 -13.057 -7.254 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.155 -10.058 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.422 -9.939 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.451 -8.542 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.684 -8.349 -7.633 1.00 0.00 H new ATOM 316 N CYS A 22 -11.465 -9.790 -4.412 1.00 0.00 N ATOM 317 CA CYS A 22 -10.154 -10.396 -4.009 1.00 0.00 C ATOM 318 C CYS A 22 -9.682 -9.727 -2.710 1.00 0.00 C ATOM 319 O CYS A 22 -8.559 -9.269 -2.602 1.00 0.00 O ATOM 320 CB CYS A 22 -9.173 -10.092 -5.150 1.00 0.00 C ATOM 321 SG CYS A 22 -7.779 -11.244 -5.074 1.00 0.00 S ATOM 0 H CYS A 22 -11.863 -9.157 -3.718 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.229 -11.470 -3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.679 -10.180 -6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.815 -9.066 -5.071 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.950 -10.987 -6.042 1.00 0.00 H new ATOM 327 N ASN A 23 -10.549 -9.652 -1.734 1.00 0.00 N ATOM 328 CA ASN A 23 -10.189 -8.995 -0.447 1.00 0.00 C ATOM 329 C ASN A 23 -9.177 -9.843 0.327 1.00 0.00 C ATOM 330 O ASN A 23 -9.475 -10.919 0.812 1.00 0.00 O ATOM 331 CB ASN A 23 -11.508 -8.863 0.323 1.00 0.00 C ATOM 332 CG ASN A 23 -11.635 -7.436 0.860 1.00 0.00 C ATOM 333 OD1 ASN A 23 -11.913 -7.234 2.023 1.00 0.00 O ATOM 334 ND2 ASN A 23 -11.446 -6.433 0.048 1.00 0.00 N ATOM 0 H ASN A 23 -11.499 -10.022 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.718 -8.024 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.349 -9.095 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.536 -9.578 1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.532 -5.476 0.391 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.212 -6.605 -0.930 1.00 0.00 H new ATOM 341 N ARG A 24 -7.975 -9.343 0.421 1.00 0.00 N ATOM 342 CA ARG A 24 -6.875 -10.060 1.137 1.00 0.00 C ATOM 343 C ARG A 24 -7.295 -10.438 2.562 1.00 0.00 C ATOM 344 O ARG A 24 -7.331 -11.602 2.909 1.00 0.00 O ATOM 345 CB ARG A 24 -5.720 -9.052 1.178 1.00 0.00 C ATOM 346 CG ARG A 24 -4.802 -9.261 -0.029 1.00 0.00 C ATOM 347 CD ARG A 24 -5.439 -8.634 -1.273 1.00 0.00 C ATOM 348 NE ARG A 24 -5.276 -7.163 -1.078 1.00 0.00 N ATOM 349 CZ ARG A 24 -4.115 -6.594 -1.288 1.00 0.00 C ATOM 350 NH1 ARG A 24 -3.615 -6.557 -2.498 1.00 0.00 N ATOM 351 NH2 ARG A 24 -3.459 -6.063 -0.290 1.00 0.00 N ATOM 0 H ARG A 24 -7.701 -8.445 0.022 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.607 -10.991 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.113 -8.035 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.154 -9.172 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.828 -8.810 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.634 -10.326 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.944 -8.970 -2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.490 -8.908 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.072 -6.599 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.130 -6.971 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.711 -6.114 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.851 -6.092 0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.555 -5.620 -0.452 1.00 0.00 H new ATOM 365 N CYS A 25 -7.593 -9.446 3.378 1.00 0.00 N ATOM 366 CA CYS A 25 -8.005 -9.667 4.813 1.00 0.00 C ATOM 367 C CYS A 25 -6.772 -9.745 5.735 1.00 0.00 C ATOM 368 O CYS A 25 -6.718 -10.537 6.658 1.00 0.00 O ATOM 369 CB CYS A 25 -8.812 -10.974 4.856 1.00 0.00 C ATOM 370 SG CYS A 25 -10.050 -10.879 6.172 1.00 0.00 S ATOM 0 H CYS A 25 -7.567 -8.464 3.102 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.610 -8.834 5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.299 -11.144 3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.146 -11.819 5.030 1.00 0.00 H new ATOM 0 HG CYS A 25 -10.733 -11.985 6.206 1.00 0.00 H new ATOM 376 N HIS A 26 -5.796 -8.895 5.503 1.00 0.00 N ATOM 377 CA HIS A 26 -4.564 -8.861 6.367 1.00 0.00 C ATOM 378 C HIS A 26 -3.810 -7.552 6.110 1.00 0.00 C ATOM 379 O HIS A 26 -3.618 -6.756 7.010 1.00 0.00 O ATOM 380 CB HIS A 26 -3.699 -10.089 6.015 1.00 0.00 C ATOM 381 CG HIS A 26 -3.765 -10.432 4.549 1.00 0.00 C ATOM 382 ND1 HIS A 26 -2.772 -10.067 3.650 1.00 0.00 N ATOM 383 CD2 HIS A 26 -4.688 -11.129 3.819 1.00 0.00 C ATOM 384 CE1 HIS A 26 -3.124 -10.544 2.443 1.00 0.00 C ATOM 385 NE2 HIS A 26 -4.282 -11.203 2.492 1.00 0.00 N ATOM 0 H HIS A 26 -5.799 -8.215 4.743 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.820 -8.900 7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -2.664 -9.894 6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.031 -10.945 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.597 -11.558 4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.540 -10.410 1.544 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.766 -11.663 1.721 1.00 0.00 H new ATOM 393 N CYS A 27 -3.430 -7.298 4.884 1.00 0.00 N ATOM 394 CA CYS A 27 -2.749 -6.009 4.559 1.00 0.00 C ATOM 395 C CYS A 27 -3.806 -4.903 4.551 1.00 0.00 C ATOM 396 O CYS A 27 -3.521 -3.746 4.798 1.00 0.00 O ATOM 397 CB CYS A 27 -2.150 -6.211 3.166 1.00 0.00 C ATOM 398 SG CYS A 27 -0.574 -7.091 3.309 1.00 0.00 S ATOM 0 H CYS A 27 -3.562 -7.928 4.093 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.975 -5.730 5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.840 -6.778 2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.998 -5.247 2.681 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.065 -7.265 2.125 1.00 0.00 H new ATOM 404 N LYS A 28 -5.040 -5.281 4.304 1.00 0.00 N ATOM 405 CA LYS A 28 -6.165 -4.306 4.312 1.00 0.00 C ATOM 406 C LYS A 28 -6.350 -3.782 5.737 1.00 0.00 C ATOM 407 O LYS A 28 -6.573 -2.605 5.953 1.00 0.00 O ATOM 408 CB LYS A 28 -7.364 -5.131 3.868 1.00 0.00 C ATOM 409 CG LYS A 28 -8.656 -4.316 3.979 1.00 0.00 C ATOM 410 CD LYS A 28 -9.856 -5.259 3.866 1.00 0.00 C ATOM 411 CE LYS A 28 -9.874 -6.214 5.067 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.932 -7.211 4.735 1.00 0.00 N ATOM 0 H LYS A 28 -5.313 -6.241 4.094 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.010 -3.440 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.224 -5.460 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.441 -6.029 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.684 -3.784 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.694 -3.563 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.781 -4.684 3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.799 -5.827 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.906 -6.694 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.104 -5.685 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.776 -7.027 5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.179 -7.133 3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.580 -8.170 4.932 1.00 0.00 H new ATOM 426 N LYS A 29 -6.222 -4.658 6.709 1.00 0.00 N ATOM 427 CA LYS A 29 -6.346 -4.240 8.138 1.00 0.00 C ATOM 428 C LYS A 29 -5.421 -3.086 8.405 1.00 0.00 C ATOM 429 O LYS A 29 -5.843 -2.059 8.904 1.00 0.00 O ATOM 430 CB LYS A 29 -5.938 -5.465 8.961 1.00 0.00 C ATOM 431 CG LYS A 29 -7.176 -6.313 9.265 1.00 0.00 C ATOM 432 CD LYS A 29 -7.606 -7.065 8.001 1.00 0.00 C ATOM 433 CE LYS A 29 -8.314 -8.362 8.393 1.00 0.00 C ATOM 434 NZ LYS A 29 -9.758 -7.989 8.475 1.00 0.00 N ATOM 0 H LYS A 29 -6.036 -5.651 6.568 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.355 -3.914 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.205 -6.057 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.463 -5.150 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.957 -7.021 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.988 -5.676 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.271 -6.442 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.736 -7.286 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.148 -9.145 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.947 -8.742 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.318 -8.824 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.884 -7.246 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.078 -7.636 7.551 1.00 0.00 H new ATOM 448 N CYS A 30 -4.166 -3.242 8.078 1.00 0.00 N ATOM 449 CA CYS A 30 -3.189 -2.145 8.330 1.00 0.00 C ATOM 450 C CYS A 30 -3.447 -1.551 9.732 1.00 0.00 C ATOM 451 O CYS A 30 -3.159 -0.399 9.998 1.00 0.00 O ATOM 452 CB CYS A 30 -3.456 -1.132 7.215 1.00 0.00 C ATOM 453 SG CYS A 30 -1.974 -0.140 6.906 1.00 0.00 S ATOM 0 H CYS A 30 -3.776 -4.081 7.648 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.148 -2.469 8.320 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.751 -1.652 6.304 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.286 -0.483 7.494 1.00 0.00 H new ATOM 459 N CYS A 31 -3.984 -2.362 10.632 1.00 0.00 N ATOM 460 CA CYS A 31 -4.266 -1.899 12.023 1.00 0.00 C ATOM 461 C CYS A 31 -3.079 -2.256 12.918 1.00 0.00 C ATOM 462 O CYS A 31 -3.170 -2.262 14.131 1.00 0.00 O ATOM 463 CB CYS A 31 -5.521 -2.664 12.453 1.00 0.00 C ATOM 464 SG CYS A 31 -6.995 -1.745 11.946 1.00 0.00 S ATOM 0 H CYS A 31 -4.237 -3.333 10.449 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.417 -0.822 12.091 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.526 -3.657 12.003 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.521 -2.804 13.534 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.000 -1.612 10.653 1.00 0.00 H new ATOM 470 N TYR A 32 -1.964 -2.538 12.305 1.00 0.00 N ATOM 471 CA TYR A 32 -0.726 -2.890 13.076 1.00 0.00 C ATOM 472 C TYR A 32 0.316 -1.793 12.831 1.00 0.00 C ATOM 473 O TYR A 32 1.370 -2.028 12.273 1.00 0.00 O ATOM 474 CB TYR A 32 -0.246 -4.251 12.517 1.00 0.00 C ATOM 475 CG TYR A 32 -0.309 -4.275 11.002 1.00 0.00 C ATOM 476 CD1 TYR A 32 0.771 -3.801 10.248 1.00 0.00 C ATOM 477 CD2 TYR A 32 -1.456 -4.751 10.356 1.00 0.00 C ATOM 478 CE1 TYR A 32 0.705 -3.802 8.851 1.00 0.00 C ATOM 479 CE2 TYR A 32 -1.521 -4.757 8.958 1.00 0.00 C ATOM 480 CZ TYR A 32 -0.441 -4.282 8.205 1.00 0.00 C ATOM 481 OH TYR A 32 -0.506 -4.280 6.827 1.00 0.00 O ATOM 0 H TYR A 32 -1.851 -2.541 11.291 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.897 -2.964 14.150 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.776 -4.441 12.844 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.865 -5.052 12.922 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.656 -3.434 10.746 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.291 -5.114 10.937 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.538 -3.433 8.271 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.405 -5.128 8.460 1.00 0.00 H new ATOM 0 HH TYR A 32 0.391 -4.144 6.457 1.00 0.00 H new ATOM 491 N HIS A 33 -0.015 -0.575 13.217 1.00 0.00 N ATOM 492 CA HIS A 33 0.891 0.603 12.991 1.00 0.00 C ATOM 493 C HIS A 33 0.912 0.968 11.492 1.00 0.00 C ATOM 494 O HIS A 33 1.547 1.927 11.094 1.00 0.00 O ATOM 495 CB HIS A 33 2.289 0.192 13.481 1.00 0.00 C ATOM 496 CG HIS A 33 2.282 0.078 14.980 1.00 0.00 C ATOM 497 ND1 HIS A 33 2.552 1.159 15.805 1.00 0.00 N ATOM 498 CD2 HIS A 33 2.037 -0.981 15.815 1.00 0.00 C ATOM 499 CE1 HIS A 33 2.463 0.729 17.076 1.00 0.00 C ATOM 500 NE2 HIS A 33 2.151 -0.569 17.141 1.00 0.00 N ATOM 0 H HIS A 33 -0.891 -0.347 13.687 1.00 0.00 H new ATOM 0 HA HIS A 33 0.545 1.483 13.534 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.577 -0.760 13.035 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.028 0.929 13.165 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.793 -1.983 15.494 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.624 1.357 17.940 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.024 -1.135 17.980 1.00 0.00 H new ATOM 508 N CYS A 34 0.207 0.211 10.667 1.00 0.00 N ATOM 509 CA CYS A 34 0.149 0.480 9.199 1.00 0.00 C ATOM 510 C CYS A 34 1.543 0.456 8.555 1.00 0.00 C ATOM 511 O CYS A 34 2.199 1.473 8.421 1.00 0.00 O ATOM 512 CB CYS A 34 -0.495 1.862 9.055 1.00 0.00 C ATOM 513 SG CYS A 34 -1.975 1.742 8.021 1.00 0.00 S ATOM 0 H CYS A 34 -0.339 -0.597 10.966 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.425 -0.292 8.686 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.757 2.256 10.037 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.215 2.560 8.611 1.00 0.00 H new ATOM 519 N GLN A 35 1.982 -0.700 8.134 1.00 0.00 N ATOM 520 CA GLN A 35 3.317 -0.814 7.468 1.00 0.00 C ATOM 521 C GLN A 35 3.132 -1.141 5.982 1.00 0.00 C ATOM 522 O GLN A 35 4.005 -0.887 5.174 1.00 0.00 O ATOM 523 CB GLN A 35 4.038 -1.962 8.179 1.00 0.00 C ATOM 524 CG GLN A 35 4.205 -1.643 9.668 1.00 0.00 C ATOM 525 CD GLN A 35 4.657 -0.197 9.864 1.00 0.00 C ATOM 526 OE1 GLN A 35 3.919 0.601 10.577 1.00 0.00 O flip ATOM 527 NE2 GLN A 35 5.690 0.207 9.368 1.00 0.00 N flip ATOM 0 H GLN A 35 1.471 -1.578 8.223 1.00 0.00 H new ATOM 0 HA GLN A 35 3.884 0.115 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.472 -2.886 8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.015 -2.125 7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.261 -1.808 10.188 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.935 -2.321 10.110 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.267 -0.421 8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.980 1.174 9.511 1.00 0.00 H new ATOM 536 N VAL A 36 1.991 -1.697 5.620 1.00 0.00 N ATOM 537 CA VAL A 36 1.716 -2.039 4.190 1.00 0.00 C ATOM 538 C VAL A 36 2.750 -3.047 3.666 1.00 0.00 C ATOM 539 O VAL A 36 3.461 -2.771 2.718 1.00 0.00 O ATOM 540 CB VAL A 36 1.793 -0.702 3.434 1.00 0.00 C ATOM 541 CG1 VAL A 36 1.260 -0.684 2.000 1.00 0.00 C ATOM 542 CG2 VAL A 36 0.971 0.389 4.125 1.00 0.00 C ATOM 0 H VAL A 36 1.236 -1.928 6.265 1.00 0.00 H new ATOM 0 HA VAL A 36 0.743 -2.513 4.058 1.00 0.00 H new ATOM 0 HB VAL A 36 2.870 -0.535 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.373 0.316 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.821 -1.396 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.206 -0.960 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.051 1.318 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.074 0.082 4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.349 0.545 5.135 1.00 0.00 H new ATOM 552 N CYS A 37 2.813 -4.218 4.283 1.00 0.00 N ATOM 553 CA CYS A 37 3.778 -5.297 3.857 1.00 0.00 C ATOM 554 C CYS A 37 5.020 -4.700 3.185 1.00 0.00 C ATOM 555 O CYS A 37 5.222 -4.833 1.992 1.00 0.00 O ATOM 556 CB CYS A 37 2.989 -6.170 2.875 1.00 0.00 C ATOM 557 SG CYS A 37 3.369 -7.914 3.176 1.00 0.00 S ATOM 0 H CYS A 37 2.225 -4.472 5.077 1.00 0.00 H new ATOM 0 HA CYS A 37 4.146 -5.869 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.920 -5.994 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.244 -5.903 1.849 1.00 0.00 H new ATOM 0 HG CYS A 37 2.698 -8.654 2.344 1.00 0.00 H new ATOM 563 N PHE A 38 5.836 -4.021 3.944 1.00 0.00 N ATOM 564 CA PHE A 38 7.053 -3.378 3.355 1.00 0.00 C ATOM 565 C PHE A 38 8.258 -4.349 3.315 1.00 0.00 C ATOM 566 O PHE A 38 8.138 -5.460 2.834 1.00 0.00 O ATOM 567 CB PHE A 38 7.317 -2.124 4.220 1.00 0.00 C ATOM 568 CG PHE A 38 7.520 -2.435 5.693 1.00 0.00 C ATOM 569 CD1 PHE A 38 7.555 -3.757 6.164 1.00 0.00 C ATOM 570 CD2 PHE A 38 7.678 -1.375 6.593 1.00 0.00 C ATOM 571 CE1 PHE A 38 7.745 -4.010 7.521 1.00 0.00 C ATOM 572 CE2 PHE A 38 7.867 -1.633 7.952 1.00 0.00 C ATOM 573 CZ PHE A 38 7.900 -2.949 8.414 1.00 0.00 C ATOM 0 H PHE A 38 5.716 -3.882 4.947 1.00 0.00 H new ATOM 0 HA PHE A 38 6.900 -3.102 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.200 -1.610 3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.478 -1.436 4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.435 -4.579 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.654 -0.356 6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.772 -5.028 7.882 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.988 -0.814 8.646 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.046 -3.147 9.466 1.00 0.00 H new ATOM 583 N ILE A 39 9.423 -3.928 3.762 1.00 0.00 N ATOM 584 CA ILE A 39 10.638 -4.818 3.688 1.00 0.00 C ATOM 585 C ILE A 39 10.500 -6.088 4.546 1.00 0.00 C ATOM 586 O ILE A 39 10.995 -7.136 4.175 1.00 0.00 O ATOM 587 CB ILE A 39 11.816 -3.961 4.188 1.00 0.00 C ATOM 588 CG1 ILE A 39 11.552 -3.460 5.617 1.00 0.00 C ATOM 589 CG2 ILE A 39 12.013 -2.761 3.255 1.00 0.00 C ATOM 590 CD1 ILE A 39 12.813 -3.637 6.464 1.00 0.00 C ATOM 0 H ILE A 39 9.587 -3.009 4.174 1.00 0.00 H new ATOM 0 HA ILE A 39 10.781 -5.170 2.667 1.00 0.00 H new ATOM 0 HB ILE A 39 12.716 -4.576 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.260 -2.410 5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.724 -4.013 6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.847 -2.156 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.226 -3.115 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.106 -2.157 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.624 -3.281 7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.085 -4.692 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.630 -3.064 6.025 1.00 0.00 H new ATOM 602 N THR A 40 9.860 -6.011 5.684 1.00 0.00 N ATOM 603 CA THR A 40 9.727 -7.221 6.553 1.00 0.00 C ATOM 604 C THR A 40 8.293 -7.759 6.518 1.00 0.00 C ATOM 605 O THR A 40 7.334 -7.009 6.540 1.00 0.00 O ATOM 606 CB THR A 40 10.098 -6.737 7.964 1.00 0.00 C ATOM 607 OG1 THR A 40 11.354 -6.069 7.919 1.00 0.00 O ATOM 608 CG2 THR A 40 10.193 -7.929 8.921 1.00 0.00 C ATOM 0 H THR A 40 9.424 -5.165 6.050 1.00 0.00 H new ATOM 0 HA THR A 40 10.368 -8.038 6.221 1.00 0.00 H new ATOM 0 HB THR A 40 9.327 -6.053 8.320 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.550 -5.682 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.456 -7.575 9.918 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.232 -8.442 8.960 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.958 -8.620 8.567 1.00 0.00 H new ATOM 616 N LYS A 41 8.146 -9.062 6.467 1.00 0.00 N ATOM 617 CA LYS A 41 6.779 -9.674 6.436 1.00 0.00 C ATOM 618 C LYS A 41 6.073 -9.517 7.796 1.00 0.00 C ATOM 619 O LYS A 41 4.877 -9.721 7.902 1.00 0.00 O ATOM 620 CB LYS A 41 7.002 -11.158 6.108 1.00 0.00 C ATOM 621 CG LYS A 41 7.850 -11.826 7.199 1.00 0.00 C ATOM 622 CD LYS A 41 6.951 -12.669 8.109 1.00 0.00 C ATOM 623 CE LYS A 41 6.982 -12.098 9.532 1.00 0.00 C ATOM 624 NZ LYS A 41 5.545 -11.988 9.920 1.00 0.00 N ATOM 0 H LYS A 41 8.917 -9.730 6.445 1.00 0.00 H new ATOM 0 HA LYS A 41 6.139 -9.188 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.042 -11.666 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.500 -11.253 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.615 -12.455 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.368 -11.067 7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.930 -12.670 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.290 -13.705 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.528 -12.753 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.476 -11.127 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.475 -11.652 10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.066 -11.315 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.091 -12.920 9.840 1.00 0.00 H new ATOM 638 N GLY A 42 6.799 -9.158 8.834 1.00 0.00 N ATOM 639 CA GLY A 42 6.172 -8.984 10.181 1.00 0.00 C ATOM 640 C GLY A 42 5.182 -7.813 10.159 1.00 0.00 C ATOM 641 O GLY A 42 4.349 -7.692 11.029 1.00 0.00 O ATOM 0 H GLY A 42 7.803 -8.978 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.657 -9.900 10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.944 -8.802 10.929 1.00 0.00 H new ATOM 645 N LEU A 43 5.281 -6.957 9.166 1.00 0.00 N ATOM 646 CA LEU A 43 4.370 -5.771 9.045 1.00 0.00 C ATOM 647 C LEU A 43 4.752 -4.703 10.068 1.00 0.00 C ATOM 648 O LEU A 43 3.906 -4.120 10.720 1.00 0.00 O ATOM 649 CB LEU A 43 2.945 -6.284 9.277 1.00 0.00 C ATOM 650 CG LEU A 43 2.594 -7.318 8.209 1.00 0.00 C ATOM 651 CD1 LEU A 43 1.263 -7.930 8.639 1.00 0.00 C ATOM 652 CD2 LEU A 43 2.549 -6.625 6.844 1.00 0.00 C ATOM 0 H LEU A 43 5.971 -7.033 8.418 1.00 0.00 H new ATOM 0 HA LEU A 43 4.449 -5.307 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.864 -6.729 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.239 -5.455 9.241 1.00 0.00 H new ATOM 0 HG LEU A 43 3.330 -8.116 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.956 -8.682 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.376 -8.397 9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.505 -7.149 8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.299 -7.355 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.793 -5.840 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.523 -6.187 6.626 1.00 0.00 H new ATOM 664 N GLY A 44 6.034 -4.449 10.198 1.00 0.00 N ATOM 665 CA GLY A 44 6.534 -3.412 11.164 1.00 0.00 C ATOM 666 C GLY A 44 5.833 -3.567 12.506 1.00 0.00 C ATOM 667 O GLY A 44 5.351 -2.612 13.084 1.00 0.00 O ATOM 0 H GLY A 44 6.766 -4.922 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.611 -3.514 11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.354 -2.414 10.764 1.00 0.00 H new ATOM 671 N ILE A 45 5.768 -4.771 12.990 1.00 0.00 N ATOM 672 CA ILE A 45 5.086 -5.022 14.296 1.00 0.00 C ATOM 673 C ILE A 45 6.090 -4.963 15.458 1.00 0.00 C ATOM 674 O ILE A 45 5.812 -4.361 16.479 1.00 0.00 O ATOM 675 CB ILE A 45 4.447 -6.416 14.173 1.00 0.00 C ATOM 676 CG1 ILE A 45 5.478 -7.442 13.680 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.273 -6.345 13.191 1.00 0.00 C ATOM 678 CD1 ILE A 45 4.913 -8.858 13.818 1.00 0.00 C ATOM 0 H ILE A 45 6.158 -5.599 12.540 1.00 0.00 H new ATOM 0 HA ILE A 45 4.333 -4.263 14.510 1.00 0.00 H new ATOM 0 HB ILE A 45 4.091 -6.732 15.153 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.733 -7.243 12.639 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.399 -7.351 14.256 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.815 -7.330 13.099 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.533 -5.634 13.559 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.634 -6.020 12.215 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.650 -9.580 13.466 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.681 -9.057 14.864 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.005 -8.947 13.222 1.00 0.00 H new ATOM 690 N SER A 46 7.249 -5.572 15.321 1.00 0.00 N ATOM 691 CA SER A 46 8.252 -5.531 16.439 1.00 0.00 C ATOM 692 C SER A 46 9.624 -6.115 16.036 1.00 0.00 C ATOM 693 O SER A 46 10.452 -6.368 16.892 1.00 0.00 O ATOM 694 CB SER A 46 7.630 -6.378 17.558 1.00 0.00 C ATOM 695 OG SER A 46 7.336 -7.679 17.069 1.00 0.00 O ATOM 0 H SER A 46 7.541 -6.090 14.493 1.00 0.00 H new ATOM 0 HA SER A 46 8.450 -4.501 16.736 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.317 -6.443 18.402 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.720 -5.903 17.924 1.00 0.00 H new ATOM 0 HG SER A 46 6.941 -8.217 17.787 1.00 0.00 H new ATOM 701 N TYR A 47 9.893 -6.326 14.764 1.00 0.00 N ATOM 702 CA TYR A 47 11.229 -6.882 14.372 1.00 0.00 C ATOM 703 C TYR A 47 12.302 -5.778 14.382 1.00 0.00 C ATOM 704 O TYR A 47 13.484 -6.054 14.455 1.00 0.00 O ATOM 705 CB TYR A 47 11.039 -7.445 12.954 1.00 0.00 C ATOM 706 CG TYR A 47 10.879 -6.327 11.951 1.00 0.00 C ATOM 707 CD1 TYR A 47 12.005 -5.658 11.449 1.00 0.00 C ATOM 708 CD2 TYR A 47 9.602 -5.967 11.518 1.00 0.00 C ATOM 709 CE1 TYR A 47 11.846 -4.629 10.518 1.00 0.00 C ATOM 710 CE2 TYR A 47 9.442 -4.943 10.587 1.00 0.00 C ATOM 711 CZ TYR A 47 10.569 -4.269 10.086 1.00 0.00 C ATOM 712 OH TYR A 47 10.425 -3.257 9.162 1.00 0.00 O ATOM 0 H TYR A 47 9.253 -6.139 13.992 1.00 0.00 H new ATOM 0 HA TYR A 47 11.567 -7.650 15.068 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.897 -8.062 12.685 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.161 -8.091 12.929 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.993 -5.938 11.782 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.736 -6.483 11.905 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.712 -4.112 10.132 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.453 -4.667 10.251 1.00 0.00 H new ATOM 0 HH TYR A 47 9.652 -3.444 8.590 1.00 0.00 H new ATOM 722 N GLY A 48 11.891 -4.535 14.290 1.00 0.00 N ATOM 723 CA GLY A 48 12.865 -3.405 14.270 1.00 0.00 C ATOM 724 C GLY A 48 12.505 -2.500 13.091 1.00 0.00 C ATOM 725 O GLY A 48 13.271 -2.337 12.161 1.00 0.00 O ATOM 0 H GLY A 48 10.912 -4.256 14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.823 -2.848 15.206 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.883 -3.780 14.167 1.00 0.00 H new ATOM 729 N ARG A 49 11.326 -1.928 13.123 1.00 0.00 N ATOM 730 CA ARG A 49 10.873 -1.050 12.009 1.00 0.00 C ATOM 731 C ARG A 49 11.521 0.331 12.092 1.00 0.00 C ATOM 732 O ARG A 49 11.479 0.993 13.113 1.00 0.00 O ATOM 733 CB ARG A 49 9.366 -0.936 12.193 1.00 0.00 C ATOM 734 CG ARG A 49 8.780 -0.064 11.079 1.00 0.00 C ATOM 735 CD ARG A 49 7.769 0.916 11.678 1.00 0.00 C ATOM 736 NE ARG A 49 6.870 0.044 12.488 1.00 0.00 N ATOM 737 CZ ARG A 49 6.023 0.570 13.338 1.00 0.00 C ATOM 738 NH1 ARG A 49 5.397 1.683 13.045 1.00 0.00 N ATOM 739 NH2 ARG A 49 5.803 -0.017 14.486 1.00 0.00 N ATOM 0 H ARG A 49 10.654 -2.036 13.883 1.00 0.00 H new ATOM 0 HA ARG A 49 11.148 -1.460 11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.910 -1.926 12.172 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.140 -0.501 13.167 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.576 0.482 10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.296 -0.690 10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.259 1.669 12.295 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.219 1.448 10.902 1.00 0.00 H new ATOM 0 HE ARG A 49 6.915 -0.969 12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.568 2.144 12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.739 2.088 13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.290 -0.882 14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.144 0.391 15.149 1.00 0.00 H new ATOM 753 N LYS A 50 12.087 0.778 11.005 1.00 0.00 N ATOM 754 CA LYS A 50 12.711 2.132 10.976 1.00 0.00 C ATOM 755 C LYS A 50 11.635 3.178 10.645 1.00 0.00 C ATOM 756 O LYS A 50 11.712 4.316 11.066 1.00 0.00 O ATOM 757 CB LYS A 50 13.783 2.075 9.872 1.00 0.00 C ATOM 758 CG LYS A 50 13.167 1.648 8.527 1.00 0.00 C ATOM 759 CD LYS A 50 13.677 0.255 8.142 1.00 0.00 C ATOM 760 CE LYS A 50 13.046 -0.175 6.812 1.00 0.00 C ATOM 761 NZ LYS A 50 13.736 0.653 5.779 1.00 0.00 N ATOM 0 H LYS A 50 12.145 0.259 10.129 1.00 0.00 H new ATOM 0 HA LYS A 50 13.154 2.409 11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.254 3.052 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.566 1.373 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.080 1.640 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.428 2.368 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.763 0.266 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.428 -0.463 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.194 -1.239 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.971 0.003 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.656 0.189 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.294 1.593 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.740 0.754 6.029 1.00 0.00 H new ATOM 775 N LYS A 51 10.629 2.770 9.900 1.00 0.00 N ATOM 776 CA LYS A 51 9.503 3.679 9.503 1.00 0.00 C ATOM 777 C LYS A 51 8.661 2.967 8.427 1.00 0.00 C ATOM 778 O LYS A 51 8.397 1.783 8.534 1.00 0.00 O ATOM 779 CB LYS A 51 10.152 4.966 8.949 1.00 0.00 C ATOM 780 CG LYS A 51 11.177 4.631 7.857 1.00 0.00 C ATOM 781 CD LYS A 51 12.505 5.331 8.160 1.00 0.00 C ATOM 782 CE LYS A 51 12.362 6.837 7.911 1.00 0.00 C ATOM 783 NZ LYS A 51 13.761 7.354 7.946 1.00 0.00 N ATOM 0 H LYS A 51 10.541 1.819 9.542 1.00 0.00 H new ATOM 0 HA LYS A 51 8.846 3.926 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.382 5.622 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.640 5.510 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.327 3.553 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.802 4.948 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.795 5.149 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.295 4.922 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.888 7.038 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.745 7.309 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.756 8.381 7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.182 7.152 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.322 6.889 7.203 1.00 0.00 H new ATOM 797 N ARG A 52 8.254 3.655 7.387 1.00 0.00 N ATOM 798 CA ARG A 52 7.460 2.995 6.308 1.00 0.00 C ATOM 799 C ARG A 52 8.241 3.052 4.987 1.00 0.00 C ATOM 800 O ARG A 52 7.800 2.530 3.980 1.00 0.00 O ATOM 801 CB ARG A 52 6.161 3.807 6.177 1.00 0.00 C ATOM 802 CG ARG A 52 5.652 4.269 7.551 1.00 0.00 C ATOM 803 CD ARG A 52 6.082 5.721 7.819 1.00 0.00 C ATOM 804 NE ARG A 52 5.610 6.493 6.627 1.00 0.00 N ATOM 805 CZ ARG A 52 4.506 7.202 6.688 1.00 0.00 C ATOM 806 NH1 ARG A 52 3.479 6.772 7.380 1.00 0.00 N ATOM 807 NH2 ARG A 52 4.429 8.342 6.051 1.00 0.00 N ATOM 0 H ARG A 52 8.439 4.647 7.241 1.00 0.00 H new ATOM 0 HA ARG A 52 7.257 1.949 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.334 4.675 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.398 3.201 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.565 4.192 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.045 3.616 8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.635 6.101 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.163 5.797 7.935 1.00 0.00 H new ATOM 0 HE ARG A 52 6.149 6.468 5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.534 5.882 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.625 7.327 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.225 8.678 5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.573 8.895 6.096 1.00 0.00 H new ATOM 821 N ARG A 53 9.389 3.709 4.983 1.00 0.00 N ATOM 822 CA ARG A 53 10.200 3.840 3.736 1.00 0.00 C ATOM 823 C ARG A 53 9.359 4.521 2.640 1.00 0.00 C ATOM 824 O ARG A 53 9.610 4.359 1.460 1.00 0.00 O ATOM 825 CB ARG A 53 10.592 2.404 3.362 1.00 0.00 C ATOM 826 CG ARG A 53 11.709 2.417 2.313 1.00 0.00 C ATOM 827 CD ARG A 53 12.993 2.985 2.926 1.00 0.00 C ATOM 828 NE ARG A 53 13.915 3.135 1.762 1.00 0.00 N ATOM 829 CZ ARG A 53 13.794 4.157 0.955 1.00 0.00 C ATOM 830 NH1 ARG A 53 14.307 5.315 1.284 1.00 0.00 N ATOM 831 NH2 ARG A 53 13.160 4.021 -0.181 1.00 0.00 N ATOM 0 H ARG A 53 9.794 4.161 5.803 1.00 0.00 H new ATOM 0 HA ARG A 53 11.088 4.459 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.924 1.867 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.724 1.872 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.887 1.406 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.408 3.019 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.812 3.941 3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.407 2.314 3.679 1.00 0.00 H new ATOM 0 HE ARG A 53 14.641 2.439 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.801 5.421 2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.213 6.112 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.760 3.118 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.065 4.818 -0.811 1.00 0.00 H new ATOM 845 N GLN A 54 8.356 5.287 3.046 1.00 0.00 N ATOM 846 CA GLN A 54 7.453 6.016 2.087 1.00 0.00 C ATOM 847 C GLN A 54 6.607 5.071 1.218 1.00 0.00 C ATOM 848 O GLN A 54 5.668 5.518 0.585 1.00 0.00 O ATOM 849 CB GLN A 54 8.369 6.854 1.186 1.00 0.00 C ATOM 850 CG GLN A 54 8.842 8.118 1.919 1.00 0.00 C ATOM 851 CD GLN A 54 7.663 8.812 2.612 1.00 0.00 C ATOM 852 OE1 GLN A 54 6.802 9.369 1.964 1.00 0.00 O ATOM 853 NE2 GLN A 54 7.593 8.800 3.916 1.00 0.00 N ATOM 0 H GLN A 54 8.125 5.437 4.028 1.00 0.00 H new ATOM 0 HA GLN A 54 6.744 6.622 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.231 6.260 0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.837 7.133 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.601 7.855 2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.309 8.803 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.317 8.332 4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.815 9.259 4.389 1.00 0.00 H new ATOM 862 N ARG A 55 6.927 3.793 1.152 1.00 0.00 N ATOM 863 CA ARG A 55 6.140 2.858 0.282 1.00 0.00 C ATOM 864 C ARG A 55 5.907 3.512 -1.089 1.00 0.00 C ATOM 865 O ARG A 55 4.854 3.375 -1.685 1.00 0.00 O ATOM 866 CB ARG A 55 4.809 2.635 1.001 1.00 0.00 C ATOM 867 CG ARG A 55 5.061 2.201 2.450 1.00 0.00 C ATOM 868 CD ARG A 55 3.724 1.917 3.138 1.00 0.00 C ATOM 869 NE ARG A 55 2.960 3.197 3.024 1.00 0.00 N ATOM 870 CZ ARG A 55 3.349 4.258 3.682 1.00 0.00 C ATOM 871 NH1 ARG A 55 3.311 4.269 4.988 1.00 0.00 N ATOM 872 NH2 ARG A 55 3.777 5.309 3.031 1.00 0.00 N ATOM 0 H ARG A 55 7.697 3.362 1.663 1.00 0.00 H new ATOM 0 HA ARG A 55 6.660 1.914 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.220 3.552 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.228 1.873 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.689 1.310 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.599 2.982 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.196 1.096 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.867 1.633 4.180 1.00 0.00 H new ATOM 0 HE ARG A 55 2.132 3.243 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.978 3.449 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.615 5.097 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.807 5.300 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.081 6.137 3.543 1.00 0.00 H new ATOM 886 N ARG A 56 6.890 4.249 -1.569 1.00 0.00 N ATOM 887 CA ARG A 56 6.766 4.959 -2.880 1.00 0.00 C ATOM 888 C ARG A 56 5.639 5.993 -2.799 1.00 0.00 C ATOM 889 O ARG A 56 4.596 5.857 -3.413 1.00 0.00 O ATOM 890 CB ARG A 56 6.483 3.872 -3.923 1.00 0.00 C ATOM 891 CG ARG A 56 7.813 3.283 -4.404 1.00 0.00 C ATOM 892 CD ARG A 56 8.669 2.878 -3.195 1.00 0.00 C ATOM 893 NE ARG A 56 9.939 2.380 -3.799 1.00 0.00 N ATOM 894 CZ ARG A 56 11.077 2.957 -3.504 1.00 0.00 C ATOM 895 NH1 ARG A 56 11.254 4.227 -3.764 1.00 0.00 N ATOM 896 NH2 ARG A 56 12.034 2.263 -2.948 1.00 0.00 N ATOM 0 H ARG A 56 7.783 4.387 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 56 7.669 5.507 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.859 3.089 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.931 4.292 -4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.629 2.416 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.347 4.014 -5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.848 3.724 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.180 2.106 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 56 9.921 1.589 -4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.505 4.768 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.141 4.676 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.894 1.273 -2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.921 2.711 -2.718 1.00 0.00 H new ATOM 910 N ARG A 57 5.858 7.029 -2.024 1.00 0.00 N ATOM 911 CA ARG A 57 4.829 8.098 -1.858 1.00 0.00 C ATOM 912 C ARG A 57 4.546 8.829 -3.185 1.00 0.00 C ATOM 913 O ARG A 57 3.399 9.059 -3.512 1.00 0.00 O ATOM 914 CB ARG A 57 5.417 9.068 -0.830 1.00 0.00 C ATOM 915 CG ARG A 57 4.321 10.016 -0.336 1.00 0.00 C ATOM 916 CD ARG A 57 3.454 9.301 0.705 1.00 0.00 C ATOM 917 NE ARG A 57 3.750 10.015 1.981 1.00 0.00 N ATOM 918 CZ ARG A 57 3.004 11.019 2.361 1.00 0.00 C ATOM 919 NH1 ARG A 57 3.299 12.236 1.977 1.00 0.00 N ATOM 920 NH2 ARG A 57 1.965 10.807 3.126 1.00 0.00 N ATOM 0 H ARG A 57 6.717 7.178 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 57 3.876 7.678 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.838 8.514 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.231 9.638 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.768 10.909 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.705 10.344 -1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.396 9.362 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.705 8.243 0.773 1.00 0.00 H new ATOM 0 HE ARG A 57 4.537 9.719 2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.111 12.400 1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.717 13.019 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.737 9.859 3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.382 11.590 3.423 1.00 0.00 H new ATOM 934 N PRO A 58 5.591 9.183 -3.911 1.00 0.00 N ATOM 935 CA PRO A 58 5.406 9.904 -5.201 1.00 0.00 C ATOM 936 C PRO A 58 4.743 9.004 -6.259 1.00 0.00 C ATOM 937 O PRO A 58 4.233 9.487 -7.252 1.00 0.00 O ATOM 938 CB PRO A 58 6.826 10.281 -5.614 1.00 0.00 C ATOM 939 CG PRO A 58 7.692 9.277 -4.925 1.00 0.00 C ATOM 940 CD PRO A 58 7.017 8.952 -3.618 1.00 0.00 C ATOM 0 HA PRO A 58 4.750 10.769 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.950 10.237 -6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.073 11.297 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.807 8.381 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.691 9.678 -4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.204 7.922 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.372 9.593 -2.811 1.00 0.00 H new ATOM 948 N SER A 59 4.745 7.707 -6.058 1.00 0.00 N ATOM 949 CA SER A 59 4.113 6.794 -7.056 1.00 0.00 C ATOM 950 C SER A 59 2.621 6.617 -6.751 1.00 0.00 C ATOM 951 O SER A 59 2.251 6.007 -5.767 1.00 0.00 O ATOM 952 CB SER A 59 4.856 5.463 -6.911 1.00 0.00 C ATOM 953 OG SER A 59 4.437 4.572 -7.934 1.00 0.00 O ATOM 0 H SER A 59 5.157 7.245 -5.247 1.00 0.00 H new ATOM 0 HA SER A 59 4.181 7.187 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.932 5.626 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.657 5.028 -5.932 1.00 0.00 H new ATOM 0 HG SER A 59 4.914 3.721 -7.842 1.00 0.00 H new ATOM 959 N GLN A 60 1.766 7.147 -7.593 1.00 0.00 N ATOM 960 CA GLN A 60 0.293 7.015 -7.369 1.00 0.00 C ATOM 961 C GLN A 60 -0.469 6.958 -8.699 1.00 0.00 C ATOM 962 O GLN A 60 -1.662 7.181 -8.743 1.00 0.00 O ATOM 963 CB GLN A 60 -0.106 8.265 -6.589 1.00 0.00 C ATOM 964 CG GLN A 60 -0.034 7.955 -5.099 1.00 0.00 C ATOM 965 CD GLN A 60 -0.256 9.236 -4.291 1.00 0.00 C ATOM 966 OE1 GLN A 60 -1.292 9.864 -4.394 1.00 0.00 O ATOM 967 NE2 GLN A 60 0.682 9.655 -3.487 1.00 0.00 N ATOM 0 H GLN A 60 2.028 7.668 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 60 0.054 6.096 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.559 9.092 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.115 8.575 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.788 7.213 -4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.937 7.524 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.552 9.129 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.546 10.509 -2.946 1.00 0.00 H new ATOM 976 N GLY A 61 0.211 6.656 -9.777 1.00 0.00 N ATOM 977 CA GLY A 61 -0.467 6.580 -11.111 1.00 0.00 C ATOM 978 C GLY A 61 -1.462 5.419 -11.110 1.00 0.00 C ATOM 979 O GLY A 61 -1.095 4.279 -11.325 1.00 0.00 O ATOM 0 H GLY A 61 1.211 6.458 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.984 7.516 -11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.272 6.439 -11.899 1.00 0.00 H new ATOM 983 N GLY A 62 -2.717 5.704 -10.849 1.00 0.00 N ATOM 984 CA GLY A 62 -3.751 4.625 -10.802 1.00 0.00 C ATOM 985 C GLY A 62 -3.306 3.560 -9.793 1.00 0.00 C ATOM 986 O GLY A 62 -3.608 2.390 -9.940 1.00 0.00 O ATOM 0 H GLY A 62 -3.069 6.644 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.717 5.040 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.878 4.180 -11.789 1.00 0.00 H new ATOM 990 N GLN A 63 -2.571 3.959 -8.779 1.00 0.00 N ATOM 991 CA GLN A 63 -2.078 2.985 -7.769 1.00 0.00 C ATOM 992 C GLN A 63 -3.161 2.621 -6.760 1.00 0.00 C ATOM 993 O GLN A 63 -3.167 1.532 -6.236 1.00 0.00 O ATOM 994 CB GLN A 63 -0.938 3.703 -7.046 1.00 0.00 C ATOM 995 CG GLN A 63 0.293 3.798 -7.952 1.00 0.00 C ATOM 996 CD GLN A 63 0.750 2.400 -8.400 1.00 0.00 C ATOM 997 OE1 GLN A 63 0.617 1.378 -7.594 1.00 0.00 O flip ATOM 998 NE2 GLN A 63 1.235 2.239 -9.501 1.00 0.00 N flip ATOM 0 H GLN A 63 -2.293 4.926 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.767 2.056 -8.247 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.258 4.702 -6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.684 3.167 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.061 4.407 -8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.103 4.298 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.341 3.033 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.537 1.310 -9.794 1.00 0.00 H new ATOM 1007 N THR A 64 -4.051 3.530 -6.445 1.00 0.00 N ATOM 1008 CA THR A 64 -5.088 3.221 -5.415 1.00 0.00 C ATOM 1009 C THR A 64 -4.390 2.622 -4.192 1.00 0.00 C ATOM 1010 O THR A 64 -4.786 1.600 -3.661 1.00 0.00 O ATOM 1011 CB THR A 64 -6.021 2.198 -6.048 1.00 0.00 C ATOM 1012 OG1 THR A 64 -6.501 2.693 -7.291 1.00 0.00 O ATOM 1013 CG2 THR A 64 -7.197 1.935 -5.105 1.00 0.00 C ATOM 0 H THR A 64 -4.104 4.464 -6.853 1.00 0.00 H new ATOM 0 HA THR A 64 -5.642 4.105 -5.099 1.00 0.00 H new ATOM 0 HB THR A 64 -5.480 1.268 -6.221 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.895 1.958 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.867 1.203 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.823 1.550 -4.156 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.739 2.865 -4.931 1.00 0.00 H new ATOM 1021 N HIS A 65 -3.332 3.253 -3.760 1.00 0.00 N ATOM 1022 CA HIS A 65 -2.576 2.736 -2.588 1.00 0.00 C ATOM 1023 C HIS A 65 -3.447 2.860 -1.325 1.00 0.00 C ATOM 1024 O HIS A 65 -4.597 3.258 -1.392 1.00 0.00 O ATOM 1025 CB HIS A 65 -1.339 3.637 -2.497 1.00 0.00 C ATOM 1026 CG HIS A 65 -0.251 3.175 -3.444 1.00 0.00 C ATOM 1027 ND1 HIS A 65 0.126 1.933 -3.908 1.00 0.00 N flip ATOM 1028 CD2 HIS A 65 0.621 4.073 -4.040 1.00 0.00 C flip ATOM 1029 CE1 HIS A 65 1.209 2.063 -4.770 1.00 0.00 C flip ATOM 1030 NE2 HIS A 65 1.465 3.370 -4.816 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.959 4.108 -4.172 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.300 1.686 -2.683 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.617 4.664 -2.732 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.960 3.635 -1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.622 5.145 -3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.731 1.274 -5.291 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.211 3.787 -5.373 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.929 2.491 -0.186 1.00 0.00 N ATOM 1039 CA GLN A 66 -3.749 2.556 1.058 1.00 0.00 C ATOM 1040 C GLN A 66 -3.143 3.517 2.083 1.00 0.00 C ATOM 1041 O GLN A 66 -3.751 4.501 2.453 1.00 0.00 O ATOM 1042 CB GLN A 66 -3.766 1.119 1.587 1.00 0.00 C ATOM 1043 CG GLN A 66 -4.744 0.278 0.757 1.00 0.00 C ATOM 1044 CD GLN A 66 -3.977 -0.765 -0.067 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -3.286 -0.384 -1.112 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -4.011 -1.940 0.240 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.976 2.148 -0.062 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.752 2.936 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.766 0.689 1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.062 1.110 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.457 -0.220 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.320 0.924 0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.549 -2.239 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.502 -2.627 -0.316 1.00 0.00 H new ATOM 1055 N ASP A 67 -1.962 3.230 2.556 1.00 0.00 N ATOM 1056 CA ASP A 67 -1.315 4.111 3.578 1.00 0.00 C ATOM 1057 C ASP A 67 -0.669 5.376 2.956 1.00 0.00 C ATOM 1058 O ASP A 67 -0.672 6.416 3.585 1.00 0.00 O ATOM 1059 CB ASP A 67 -0.252 3.218 4.218 1.00 0.00 C ATOM 1060 CG ASP A 67 0.213 3.777 5.575 1.00 0.00 C ATOM 1061 OD1 ASP A 67 -0.163 4.888 5.917 1.00 0.00 O ATOM 1062 OD2 ASP A 67 0.943 3.073 6.252 1.00 0.00 O ATOM 0 H ASP A 67 -1.411 2.418 2.279 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.044 4.494 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.654 2.214 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.603 3.130 3.547 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.121 5.263 1.758 1.00 0.00 N ATOM 1068 CA PRO A 68 0.528 6.436 1.117 1.00 0.00 C ATOM 1069 C PRO A 68 -0.484 7.356 0.389 1.00 0.00 C ATOM 1070 O PRO A 68 -0.182 8.503 0.118 1.00 0.00 O ATOM 1071 CB PRO A 68 1.501 5.804 0.128 1.00 0.00 C ATOM 1072 CG PRO A 68 0.939 4.447 -0.182 1.00 0.00 C ATOM 1073 CD PRO A 68 -0.037 4.068 0.910 1.00 0.00 C ATOM 0 HA PRO A 68 1.009 7.085 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.588 6.408 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.500 5.726 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.438 4.457 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.740 3.711 -0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.011 3.804 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.315 3.204 1.475 1.00 0.00 H new ATOM 1081 N ILE A 69 -1.664 6.874 0.055 1.00 0.00 N ATOM 1082 CA ILE A 69 -2.658 7.721 -0.662 1.00 0.00 C ATOM 1083 C ILE A 69 -4.058 7.665 0.021 1.00 0.00 C ATOM 1084 O ILE A 69 -5.065 7.731 -0.656 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.686 7.069 -2.053 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -3.362 7.994 -3.070 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -3.424 5.732 -1.965 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -4.685 7.392 -3.554 1.00 0.00 C ATOM 0 H ILE A 69 -1.975 5.923 0.253 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.401 8.780 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.664 6.895 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.544 8.969 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.698 8.156 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.447 5.264 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.907 5.077 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.444 5.901 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.149 8.065 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.495 6.428 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.354 7.254 -2.705 1.00 0.00 H new ATOM 1100 N PRO A 70 -4.089 7.544 1.341 1.00 0.00 N ATOM 1101 CA PRO A 70 -5.392 7.471 2.066 1.00 0.00 C ATOM 1102 C PRO A 70 -6.085 8.840 2.145 1.00 0.00 C ATOM 1103 O PRO A 70 -7.139 8.967 2.739 1.00 0.00 O ATOM 1104 CB PRO A 70 -5.002 7.011 3.466 1.00 0.00 C ATOM 1105 CG PRO A 70 -3.586 7.461 3.631 1.00 0.00 C ATOM 1106 CD PRO A 70 -2.951 7.465 2.265 1.00 0.00 C ATOM 0 HA PRO A 70 -6.096 6.808 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.649 7.454 4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.088 5.929 3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.549 8.456 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.047 6.793 4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.277 8.313 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.363 6.563 2.096 1.00 0.00 H new ATOM 1114 N LYS A 71 -5.509 9.862 1.565 1.00 0.00 N ATOM 1115 CA LYS A 71 -6.147 11.211 1.628 1.00 0.00 C ATOM 1116 C LYS A 71 -7.052 11.434 0.408 1.00 0.00 C ATOM 1117 O LYS A 71 -8.078 12.081 0.501 1.00 0.00 O ATOM 1118 CB LYS A 71 -4.982 12.218 1.659 1.00 0.00 C ATOM 1119 CG LYS A 71 -4.102 12.076 0.407 1.00 0.00 C ATOM 1120 CD LYS A 71 -2.622 12.048 0.796 1.00 0.00 C ATOM 1121 CE LYS A 71 -2.308 10.754 1.553 1.00 0.00 C ATOM 1122 NZ LYS A 71 -0.863 10.871 1.901 1.00 0.00 N ATOM 0 H LYS A 71 -4.628 9.821 1.053 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.785 11.323 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.375 13.233 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.379 12.056 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.362 11.162 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.290 12.906 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.001 12.117 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.384 12.911 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.925 10.656 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.499 9.876 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.327 10.123 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.508 11.801 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.744 10.771 2.929 1.00 0.00 H new ATOM 1136 N GLN A 72 -6.676 10.908 -0.736 1.00 0.00 N ATOM 1137 CA GLN A 72 -7.499 11.089 -1.968 1.00 0.00 C ATOM 1138 C GLN A 72 -7.034 10.102 -3.035 1.00 0.00 C ATOM 1139 O GLN A 72 -5.909 9.660 -3.000 1.00 0.00 O ATOM 1140 CB GLN A 72 -7.232 12.529 -2.453 1.00 0.00 C ATOM 1141 CG GLN A 72 -5.928 13.093 -1.856 1.00 0.00 C ATOM 1142 CD GLN A 72 -4.711 12.735 -2.727 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -4.227 13.572 -3.462 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -4.170 11.533 -2.676 1.00 0.00 N ATOM 0 H GLN A 72 -5.827 10.358 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.558 10.919 -1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.171 12.542 -3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.068 13.169 -2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.006 14.176 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.786 12.698 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.567 10.821 -2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.355 11.316 -3.250 1.00 0.00 H new ATOM 1153 N PRO A 73 -7.896 9.813 -3.976 1.00 0.00 N ATOM 1154 CA PRO A 73 -7.513 8.902 -5.080 1.00 0.00 C ATOM 1155 C PRO A 73 -6.402 9.583 -5.891 1.00 0.00 C ATOM 1156 O PRO A 73 -5.367 9.004 -6.156 1.00 0.00 O ATOM 1157 CB PRO A 73 -8.802 8.743 -5.878 1.00 0.00 C ATOM 1158 CG PRO A 73 -9.583 9.978 -5.549 1.00 0.00 C ATOM 1159 CD PRO A 73 -9.276 10.297 -4.111 1.00 0.00 C ATOM 0 HA PRO A 73 -7.126 7.932 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.604 8.669 -6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.341 7.841 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.298 10.804 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.651 9.813 -5.692 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.356 11.364 -3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.955 9.788 -3.427 1.00 0.00 H new ATOM 1167 N SER A 74 -6.605 10.840 -6.229 1.00 0.00 N ATOM 1168 CA SER A 74 -5.568 11.629 -6.962 1.00 0.00 C ATOM 1169 C SER A 74 -4.954 10.846 -8.133 1.00 0.00 C ATOM 1170 O SER A 74 -3.754 10.874 -8.336 1.00 0.00 O ATOM 1171 CB SER A 74 -4.514 11.933 -5.887 1.00 0.00 C ATOM 1172 OG SER A 74 -3.973 13.227 -6.112 1.00 0.00 O ATOM 0 H SER A 74 -7.460 11.356 -6.022 1.00 0.00 H new ATOM 0 HA SER A 74 -5.987 12.525 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.964 11.882 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.722 11.185 -5.916 1.00 0.00 H new ATOM 0 HG SER A 74 -3.941 13.720 -5.266 1.00 0.00 H new ATOM 1178 N SER A 75 -5.772 10.172 -8.914 1.00 0.00 N ATOM 1179 CA SER A 75 -5.254 9.392 -10.090 1.00 0.00 C ATOM 1180 C SER A 75 -6.327 8.437 -10.630 1.00 0.00 C ATOM 1181 O SER A 75 -6.448 8.245 -11.822 1.00 0.00 O ATOM 1182 CB SER A 75 -4.063 8.583 -9.569 1.00 0.00 C ATOM 1183 OG SER A 75 -2.884 8.991 -10.249 1.00 0.00 O ATOM 0 H SER A 75 -6.783 10.129 -8.786 1.00 0.00 H new ATOM 0 HA SER A 75 -4.973 10.060 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.948 8.734 -8.496 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.236 7.518 -9.725 1.00 0.00 H new ATOM 0 HG SER A 75 -2.106 8.547 -9.851 1.00 0.00 H new ATOM 1189 N GLN A 76 -7.095 7.830 -9.761 1.00 0.00 N ATOM 1190 CA GLN A 76 -8.156 6.876 -10.221 1.00 0.00 C ATOM 1191 C GLN A 76 -9.317 7.630 -10.898 1.00 0.00 C ATOM 1192 O GLN A 76 -9.732 7.256 -11.980 1.00 0.00 O ATOM 1193 CB GLN A 76 -8.635 6.162 -8.952 1.00 0.00 C ATOM 1194 CG GLN A 76 -7.536 5.222 -8.445 1.00 0.00 C ATOM 1195 CD GLN A 76 -6.775 5.890 -7.293 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -7.238 5.902 -6.170 1.00 0.00 O ATOM 1197 NE2 GLN A 76 -5.617 6.446 -7.527 1.00 0.00 N ATOM 0 H GLN A 76 -7.035 7.953 -8.750 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.775 6.173 -10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.885 6.893 -8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.543 5.597 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.974 4.283 -8.108 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.849 4.980 -9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.228 6.436 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.102 6.890 -6.767 1.00 0.00 H new ATOM 1206 N PRO A 77 -9.805 8.671 -10.249 1.00 0.00 N ATOM 1207 CA PRO A 77 -10.920 9.471 -10.821 1.00 0.00 C ATOM 1208 C PRO A 77 -10.441 10.309 -12.014 1.00 0.00 C ATOM 1209 O PRO A 77 -11.236 10.928 -12.696 1.00 0.00 O ATOM 1210 CB PRO A 77 -11.331 10.388 -9.670 1.00 0.00 C ATOM 1211 CG PRO A 77 -10.104 10.504 -8.831 1.00 0.00 C ATOM 1212 CD PRO A 77 -9.377 9.194 -8.946 1.00 0.00 C ATOM 0 HA PRO A 77 -11.734 8.847 -11.191 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.656 11.362 -10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.161 9.967 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.476 11.326 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.363 10.713 -7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.296 9.331 -8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.643 8.516 -8.135 1.00 0.00 H new ATOM 1220 N ARG A 78 -9.151 10.358 -12.256 1.00 0.00 N ATOM 1221 CA ARG A 78 -8.635 11.185 -13.384 1.00 0.00 C ATOM 1222 C ARG A 78 -7.397 10.542 -14.034 1.00 0.00 C ATOM 1223 O ARG A 78 -6.477 11.231 -14.438 1.00 0.00 O ATOM 1224 CB ARG A 78 -8.271 12.516 -12.715 1.00 0.00 C ATOM 1225 CG ARG A 78 -7.127 12.300 -11.717 1.00 0.00 C ATOM 1226 CD ARG A 78 -6.641 13.648 -11.179 1.00 0.00 C ATOM 1227 NE ARG A 78 -5.480 13.293 -10.310 1.00 0.00 N ATOM 1228 CZ ARG A 78 -4.953 14.189 -9.516 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -5.705 14.833 -8.659 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -3.669 14.436 -9.573 1.00 0.00 N ATOM 0 H ARG A 78 -8.439 9.861 -11.721 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.362 11.294 -14.189 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.974 13.244 -13.470 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.141 12.926 -12.202 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.465 11.671 -10.894 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.304 11.775 -12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.345 14.317 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.422 14.157 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.096 12.348 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.705 14.636 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.291 15.531 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.081 13.930 -10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.256 15.134 -8.955 1.00 0.00 H new ATOM 1244 N GLY A 79 -7.359 9.236 -14.138 1.00 0.00 N ATOM 1245 CA GLY A 79 -6.170 8.575 -14.756 1.00 0.00 C ATOM 1246 C GLY A 79 -6.563 7.220 -15.349 1.00 0.00 C ATOM 1247 O GLY A 79 -7.314 7.144 -16.302 1.00 0.00 O ATOM 0 H GLY A 79 -8.095 8.604 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.755 9.214 -15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.391 8.439 -14.006 1.00 0.00 H new ATOM 1251 N ASP A 80 -6.051 6.151 -14.791 1.00 0.00 N ATOM 1252 CA ASP A 80 -6.383 4.791 -15.321 1.00 0.00 C ATOM 1253 C ASP A 80 -7.794 4.378 -14.884 1.00 0.00 C ATOM 1254 O ASP A 80 -8.239 4.744 -13.812 1.00 0.00 O ATOM 1255 CB ASP A 80 -5.339 3.851 -14.707 1.00 0.00 C ATOM 1256 CG ASP A 80 -3.955 4.163 -15.284 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -3.664 3.684 -16.368 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -3.210 4.875 -14.629 1.00 0.00 O ATOM 0 H ASP A 80 -5.418 6.161 -13.992 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.365 4.764 -16.411 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.325 3.966 -13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.604 2.814 -14.914 1.00 0.00 H new ATOM 1263 N PRO A 81 -8.452 3.622 -15.734 1.00 0.00 N ATOM 1264 CA PRO A 81 -9.825 3.151 -15.427 1.00 0.00 C ATOM 1265 C PRO A 81 -9.780 2.075 -14.333 1.00 0.00 C ATOM 1266 O PRO A 81 -9.816 0.889 -14.609 1.00 0.00 O ATOM 1267 CB PRO A 81 -10.314 2.570 -16.753 1.00 0.00 C ATOM 1268 CG PRO A 81 -9.063 2.187 -17.480 1.00 0.00 C ATOM 1269 CD PRO A 81 -7.984 3.146 -17.044 1.00 0.00 C ATOM 0 HA PRO A 81 -10.480 3.939 -15.054 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.960 1.707 -16.594 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.893 3.301 -17.317 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.782 1.160 -17.248 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.213 2.240 -18.558 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.015 2.652 -16.968 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.868 3.968 -17.751 1.00 0.00 H new ATOM 1277 N THR A 82 -9.697 2.487 -13.091 1.00 0.00 N ATOM 1278 CA THR A 82 -9.644 1.500 -11.966 1.00 0.00 C ATOM 1279 C THR A 82 -10.945 0.700 -11.909 1.00 0.00 C ATOM 1280 O THR A 82 -10.966 -0.488 -12.168 1.00 0.00 O ATOM 1281 CB THR A 82 -9.477 2.328 -10.678 1.00 0.00 C ATOM 1282 OG1 THR A 82 -10.070 3.617 -10.841 1.00 0.00 O ATOM 1283 CG2 THR A 82 -7.987 2.471 -10.347 1.00 0.00 C ATOM 0 H THR A 82 -9.664 3.466 -12.807 1.00 0.00 H new ATOM 0 HA THR A 82 -8.825 0.792 -12.095 1.00 0.00 H new ATOM 0 HB THR A 82 -9.978 1.816 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.367 4.298 -10.879 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.871 3.057 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.550 1.483 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.478 2.975 -11.169 1.00 0.00 H new ATOM 1291 N GLY A 83 -12.027 1.347 -11.566 1.00 0.00 N ATOM 1292 CA GLY A 83 -13.332 0.642 -11.481 1.00 0.00 C ATOM 1293 C GLY A 83 -14.441 1.677 -11.267 1.00 0.00 C ATOM 1294 O GLY A 83 -14.881 2.310 -12.208 1.00 0.00 O ATOM 0 H GLY A 83 -12.059 2.341 -11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.515 0.076 -12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.321 -0.074 -10.659 1.00 0.00 H new ATOM 1298 N PRO A 84 -14.859 1.816 -10.030 1.00 0.00 N ATOM 1299 CA PRO A 84 -15.925 2.769 -9.673 1.00 0.00 C ATOM 1300 C PRO A 84 -15.356 4.076 -9.085 1.00 0.00 C ATOM 1301 O PRO A 84 -16.104 4.941 -8.667 1.00 0.00 O ATOM 1302 CB PRO A 84 -16.688 1.993 -8.603 1.00 0.00 C ATOM 1303 CG PRO A 84 -15.683 1.018 -8.022 1.00 0.00 C ATOM 1304 CD PRO A 84 -14.409 1.100 -8.840 1.00 0.00 C ATOM 0 HA PRO A 84 -16.527 3.081 -10.526 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -17.077 2.661 -7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.542 1.469 -9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.480 1.259 -6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.083 0.004 -8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.620 1.638 -8.314 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.015 0.113 -9.082 1.00 0.00 H new ATOM 1312 N LYS A 85 -14.053 4.229 -9.041 1.00 0.00 N ATOM 1313 CA LYS A 85 -13.463 5.482 -8.471 1.00 0.00 C ATOM 1314 C LYS A 85 -13.303 6.559 -9.556 1.00 0.00 C ATOM 1315 O LYS A 85 -12.703 7.591 -9.324 1.00 0.00 O ATOM 1316 CB LYS A 85 -12.096 5.064 -7.926 1.00 0.00 C ATOM 1317 CG LYS A 85 -12.284 4.108 -6.743 1.00 0.00 C ATOM 1318 CD LYS A 85 -11.094 3.147 -6.659 1.00 0.00 C ATOM 1319 CE LYS A 85 -9.808 3.938 -6.394 1.00 0.00 C ATOM 1320 NZ LYS A 85 -9.862 4.273 -4.939 1.00 0.00 N ATOM 0 H LYS A 85 -13.375 3.543 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.101 5.914 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.514 4.579 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.535 5.943 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.372 4.675 -5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.210 3.545 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.256 2.421 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.002 2.585 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.923 3.347 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.764 4.839 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.919 4.568 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.539 5.048 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.166 3.436 -4.401 1.00 0.00 H new ATOM 1334 N GLU A 86 -13.836 6.328 -10.733 1.00 0.00 N ATOM 1335 CA GLU A 86 -13.715 7.336 -11.831 1.00 0.00 C ATOM 1336 C GLU A 86 -14.701 8.490 -11.609 1.00 0.00 C ATOM 1337 O GLU A 86 -15.898 8.248 -11.659 1.00 0.00 O ATOM 1338 CB GLU A 86 -14.049 6.563 -13.111 1.00 0.00 C ATOM 1339 CG GLU A 86 -12.968 5.507 -13.353 1.00 0.00 C ATOM 1340 CD GLU A 86 -13.158 4.874 -14.734 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -12.643 5.427 -15.693 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -13.811 3.847 -14.808 1.00 0.00 O ATOM 1343 OXT GLU A 86 -14.239 9.599 -11.388 1.00 0.00 O ATOM 0 H GLU A 86 -14.350 5.482 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.723 7.785 -11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.026 6.088 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.105 7.246 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.980 5.963 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.018 4.739 -12.581 1.00 0.00 H new