USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 674 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 12 ASN : amide:sc= 0.0578 K(o=-5,f=-7.8) USER MOD Set 1.2: A 66 GLN : amide:sc= -3.86! K(o=-5!,f=-5.6) USER MOD Set 1.3: A 76 GLN : amide:sc= -1.17 K(o=-5,f=-7.4!) USER MOD Set 2.1: A 60 GLN : amide:sc= -5.39! C(o=-8.6!,f=-12!) USER MOD Set 2.2: A 65 HIS : no HD1:sc= -3.16! C(o=-8.6!,f=-9.5!) USER MOD Set 3.1: A 50 LYS NZ :NH3+ 172:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 54 GLN : amide:sc= 1.03 K(o=2.2,f=-4) USER MOD Set 4.1: A 33 HIS : no HE2:sc= -12.3! C(o=-11!,f=-22!) USER MOD Set 4.2: A 46 SER OG : rot 64:sc= 1.79 USER MOD Set 5.1: A 17 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Set 5.2: A 20 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0146) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.545 (180deg=0.53) USER MOD Single : A 7 ASN :FLIP amide:sc= -3.5! C(o=-4.2!,f=-3.5!) USER MOD Single : A 13 HIS :FLIP no HE2:sc= -4.44 F(o=-6.3!,f=-4.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= 0.885 (180deg=-0.901!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.0241 K(o=0.024,f=-0.71) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.575 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.201 USER MOD Single : A 32 TYR OH : rot 14:sc= 0.193 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.381 USER MOD Single : A 35 GLN : amide:sc= 0.0394 K(o=0.039,f=-2.9!) USER MOD Single : A 37 CYS SG : rot -170:sc= -0.163 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0.943 (180deg=0.89) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.468 (180deg=-1.59!) USER MOD Single : A 47 TYR OH : rot -130:sc= -0.692 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 63 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.29) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 1.13 (180deg=-0.317) USER MOD Single : A 72 GLN : amide:sc= -0.116 K(o=-0.12,f=-3!) USER MOD Single : A 74 SER OG : rot 50:sc= 0.376 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 82 THR OG1 : rot -44:sc= 0.976 USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= -0.495! (180deg=-1.12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.727 2.878 0.280 1.00 0.00 N ATOM 2 CA MET A 1 -10.254 2.256 1.546 1.00 0.00 C ATOM 3 C MET A 1 -10.515 3.367 2.591 1.00 0.00 C ATOM 4 O MET A 1 -11.655 3.570 2.964 1.00 0.00 O ATOM 5 CB MET A 1 -9.259 1.217 2.133 1.00 0.00 C ATOM 6 CG MET A 1 -8.913 0.119 1.111 1.00 0.00 C ATOM 7 SD MET A 1 -10.417 -0.750 0.602 1.00 0.00 S ATOM 8 CE MET A 1 -9.654 -1.774 -0.680 1.00 0.00 C ATOM 0 H1 MET A 1 -9.566 2.136 -0.431 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.420 3.563 -0.085 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.830 3.366 0.480 1.00 0.00 H new ATOM 0 HA MET A 1 -11.181 1.735 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.346 1.724 2.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.692 0.762 3.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.426 0.561 0.241 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.206 -0.586 1.548 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.406 -2.431 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.237 -1.133 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.858 -2.375 -0.240 1.00 0.00 H new ATOM 20 N ASP A 2 -9.450 4.065 3.037 1.00 0.00 N ATOM 21 CA ASP A 2 -9.506 5.204 4.058 1.00 0.00 C ATOM 22 C ASP A 2 -8.836 4.814 5.409 1.00 0.00 C ATOM 23 O ASP A 2 -7.935 5.518 5.829 1.00 0.00 O ATOM 24 CB ASP A 2 -10.936 5.748 4.325 1.00 0.00 C ATOM 25 CG ASP A 2 -10.862 6.973 5.243 1.00 0.00 C ATOM 26 OD1 ASP A 2 -10.646 8.053 4.737 1.00 0.00 O ATOM 27 OD2 ASP A 2 -11.012 6.802 6.442 1.00 0.00 O ATOM 0 H ASP A 2 -8.502 3.874 2.712 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.938 6.010 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.415 6.016 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.550 4.974 4.785 1.00 0.00 H new ATOM 32 N PRO A 3 -9.296 3.747 6.085 1.00 0.00 N ATOM 33 CA PRO A 3 -8.735 3.354 7.405 1.00 0.00 C ATOM 34 C PRO A 3 -7.332 2.721 7.281 1.00 0.00 C ATOM 35 O PRO A 3 -6.735 2.734 6.222 1.00 0.00 O ATOM 36 CB PRO A 3 -9.775 2.369 7.962 1.00 0.00 C ATOM 37 CG PRO A 3 -10.559 1.824 6.751 1.00 0.00 C ATOM 38 CD PRO A 3 -10.368 2.838 5.612 1.00 0.00 C ATOM 0 HA PRO A 3 -8.577 4.209 8.063 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.289 1.559 8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.444 2.867 8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.189 0.841 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.615 1.708 6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.084 2.341 4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.289 3.385 5.411 1.00 0.00 H new ATOM 46 N VAL A 4 -6.801 2.202 8.392 1.00 0.00 N ATOM 47 CA VAL A 4 -5.403 1.579 8.431 1.00 0.00 C ATOM 48 C VAL A 4 -4.326 2.636 8.114 1.00 0.00 C ATOM 49 O VAL A 4 -3.210 2.311 7.761 1.00 0.00 O ATOM 50 CB VAL A 4 -5.277 0.340 7.480 1.00 0.00 C ATOM 51 CG1 VAL A 4 -6.647 -0.280 7.260 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.701 0.679 6.086 1.00 0.00 C ATOM 0 H VAL A 4 -7.286 2.183 9.289 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.241 1.214 9.445 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.587 -0.342 7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.555 -1.141 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.059 -0.600 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.311 0.456 6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.644 -0.229 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.349 1.402 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.703 1.103 6.198 1.00 0.00 H new ATOM 62 N ASP A 5 -4.657 3.890 8.241 1.00 0.00 N ATOM 63 CA ASP A 5 -3.697 4.964 7.925 1.00 0.00 C ATOM 64 C ASP A 5 -2.547 5.170 8.945 1.00 0.00 C ATOM 65 O ASP A 5 -1.506 5.655 8.524 1.00 0.00 O ATOM 66 CB ASP A 5 -4.468 6.216 7.579 1.00 0.00 C ATOM 67 CG ASP A 5 -5.338 6.737 8.736 1.00 0.00 C ATOM 68 OD1 ASP A 5 -6.250 6.030 9.154 1.00 0.00 O ATOM 69 OD2 ASP A 5 -5.112 7.854 9.156 1.00 0.00 O ATOM 0 H ASP A 5 -5.571 4.214 8.557 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.127 4.647 7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.766 6.996 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.105 6.015 6.717 1.00 0.00 H new ATOM 74 N PRO A 6 -2.641 4.694 10.199 1.00 0.00 N ATOM 75 CA PRO A 6 -1.480 4.740 11.115 1.00 0.00 C ATOM 76 C PRO A 6 -0.653 3.462 10.762 1.00 0.00 C ATOM 77 O PRO A 6 -0.441 2.578 11.579 1.00 0.00 O ATOM 78 CB PRO A 6 -2.115 4.677 12.513 1.00 0.00 C ATOM 79 CG PRO A 6 -3.510 4.032 12.329 1.00 0.00 C ATOM 80 CD PRO A 6 -3.849 4.110 10.827 1.00 0.00 C ATOM 0 HA PRO A 6 -0.826 5.610 11.052 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.500 4.087 13.193 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.202 5.674 12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.504 2.997 12.670 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.259 4.558 12.921 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.070 3.124 10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.727 4.732 10.651 1.00 0.00 H new ATOM 88 N ASN A 7 -0.276 3.354 9.490 1.00 0.00 N ATOM 89 CA ASN A 7 0.422 2.175 8.948 1.00 0.00 C ATOM 90 C ASN A 7 1.726 2.575 8.271 1.00 0.00 C ATOM 91 O ASN A 7 2.782 2.122 8.644 1.00 0.00 O ATOM 92 CB ASN A 7 -0.464 1.578 7.807 1.00 0.00 C ATOM 93 CG ASN A 7 0.276 0.510 6.951 1.00 0.00 C ATOM 94 OD1 ASN A 7 1.397 -0.045 7.340 1.00 0.00 O flip ATOM 95 ND2 ASN A 7 -0.178 0.183 5.883 1.00 0.00 N flip ATOM 0 H ASN A 7 -0.444 4.083 8.797 1.00 0.00 H new ATOM 0 HA ASN A 7 0.609 1.482 9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.355 1.129 8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.801 2.386 7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.049 0.596 5.551 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.309 -0.507 5.311 1.00 0.00 H new ATOM 102 N ILE A 8 1.548 3.271 7.154 1.00 0.00 N ATOM 103 CA ILE A 8 2.615 3.620 6.182 1.00 0.00 C ATOM 104 C ILE A 8 4.024 3.661 6.760 1.00 0.00 C ATOM 105 O ILE A 8 4.560 4.675 7.147 1.00 0.00 O ATOM 106 CB ILE A 8 2.251 4.826 5.304 1.00 0.00 C ATOM 107 CG1 ILE A 8 0.804 5.300 5.528 1.00 0.00 C ATOM 108 CG2 ILE A 8 2.305 4.296 3.876 1.00 0.00 C ATOM 109 CD1 ILE A 8 0.485 6.429 4.586 1.00 0.00 C ATOM 0 H ILE A 8 0.633 3.626 6.877 1.00 0.00 H new ATOM 0 HA ILE A 8 2.660 2.770 5.501 1.00 0.00 H new ATOM 0 HB ILE A 8 2.922 5.656 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.112 4.473 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.675 5.628 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.056 5.098 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.309 3.928 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.589 3.482 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.541 6.760 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.168 7.259 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.596 6.087 3.557 1.00 0.00 H new ATOM 121 N GLU A 9 4.581 2.477 6.758 1.00 0.00 N ATOM 122 CA GLU A 9 5.953 2.181 7.229 1.00 0.00 C ATOM 123 C GLU A 9 6.378 0.908 6.472 1.00 0.00 C ATOM 124 O GLU A 9 7.243 0.988 5.617 1.00 0.00 O ATOM 125 CB GLU A 9 6.009 2.004 8.761 1.00 0.00 C ATOM 126 CG GLU A 9 7.097 2.916 9.346 1.00 0.00 C ATOM 127 CD GLU A 9 8.476 2.264 9.203 1.00 0.00 C ATOM 128 OE1 GLU A 9 9.081 2.423 8.156 1.00 0.00 O ATOM 129 OE2 GLU A 9 8.904 1.621 10.146 1.00 0.00 O ATOM 0 H GLU A 9 4.092 1.648 6.420 1.00 0.00 H new ATOM 0 HA GLU A 9 6.637 3.005 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.042 2.247 9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.220 0.964 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.088 3.878 8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.888 3.113 10.398 1.00 0.00 H new ATOM 136 N PRO A 10 5.674 -0.222 6.700 1.00 0.00 N ATOM 137 CA PRO A 10 5.923 -1.447 5.925 1.00 0.00 C ATOM 138 C PRO A 10 5.385 -1.286 4.469 1.00 0.00 C ATOM 139 O PRO A 10 5.903 -1.923 3.574 1.00 0.00 O ATOM 140 CB PRO A 10 5.200 -2.546 6.716 1.00 0.00 C ATOM 141 CG PRO A 10 4.140 -1.848 7.576 1.00 0.00 C ATOM 142 CD PRO A 10 4.606 -0.392 7.734 1.00 0.00 C ATOM 0 HA PRO A 10 6.981 -1.683 5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.737 -3.267 6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.902 -3.098 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.161 -1.894 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.045 -2.334 8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.785 0.306 7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.992 -0.206 8.736 1.00 0.00 H new ATOM 150 N TRP A 11 4.382 -0.418 4.208 1.00 0.00 N ATOM 151 CA TRP A 11 3.896 -0.231 2.786 1.00 0.00 C ATOM 152 C TRP A 11 4.600 0.985 2.104 1.00 0.00 C ATOM 153 O TRP A 11 4.852 0.956 0.914 1.00 0.00 O ATOM 154 CB TRP A 11 2.384 -0.032 2.747 1.00 0.00 C ATOM 155 CG TRP A 11 1.792 -0.979 1.732 1.00 0.00 C ATOM 156 CD1 TRP A 11 0.530 -1.417 1.771 1.00 0.00 C ATOM 157 CD2 TRP A 11 2.405 -1.622 0.559 1.00 0.00 C ATOM 158 NE1 TRP A 11 0.298 -2.254 0.689 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.427 -2.409 -0.078 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.695 -1.592 -0.014 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.716 -3.125 -1.226 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.984 -2.318 -1.159 1.00 0.00 C ATOM 163 CH2 TRP A 11 2.999 -3.078 -1.762 1.00 0.00 C ATOM 0 H TRP A 11 3.902 0.146 4.909 1.00 0.00 H new ATOM 0 HA TRP A 11 4.149 -1.137 2.236 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.954 -0.218 3.731 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.146 0.999 2.484 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.197 -1.159 2.527 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.598 -2.698 0.488 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.468 -0.995 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.950 -3.717 -1.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.978 -2.290 -1.580 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.227 -3.639 -2.656 1.00 0.00 H new ATOM 174 N ASN A 12 4.924 2.061 2.824 1.00 0.00 N ATOM 175 CA ASN A 12 5.607 3.227 2.139 1.00 0.00 C ATOM 176 C ASN A 12 6.439 4.093 3.120 1.00 0.00 C ATOM 177 O ASN A 12 7.650 3.978 3.117 1.00 0.00 O ATOM 178 CB ASN A 12 4.560 4.080 1.381 1.00 0.00 C ATOM 179 CG ASN A 12 5.192 4.713 0.135 1.00 0.00 C ATOM 180 OD1 ASN A 12 5.206 5.916 -0.005 1.00 0.00 O ATOM 181 ND2 ASN A 12 5.711 3.961 -0.790 1.00 0.00 N ATOM 0 H ASN A 12 4.750 2.176 3.822 1.00 0.00 H new ATOM 0 HA ASN A 12 6.318 2.818 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.714 3.457 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.172 4.860 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.123 4.386 -1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.706 2.946 -0.685 1.00 0.00 H new ATOM 188 N HIS A 13 5.817 4.973 3.923 1.00 0.00 N ATOM 189 CA HIS A 13 6.585 5.884 4.877 1.00 0.00 C ATOM 190 C HIS A 13 7.344 6.972 4.047 1.00 0.00 C ATOM 191 O HIS A 13 7.700 6.717 2.904 1.00 0.00 O ATOM 192 CB HIS A 13 7.599 5.045 5.701 1.00 0.00 C ATOM 193 CG HIS A 13 7.757 5.561 7.111 1.00 0.00 C ATOM 194 ND1 HIS A 13 6.907 6.217 7.972 1.00 0.00 N flip ATOM 195 CD2 HIS A 13 8.941 5.406 7.806 1.00 0.00 C flip ATOM 196 CE1 HIS A 13 7.557 6.468 9.174 1.00 0.00 C flip ATOM 197 NE2 HIS A 13 8.779 5.959 9.021 1.00 0.00 N flip ATOM 0 H HIS A 13 4.805 5.094 3.953 1.00 0.00 H new ATOM 0 HA HIS A 13 5.889 6.368 5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.268 4.007 5.731 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.568 5.057 5.201 1.00 0.00 H new ATOM 0 HD1 HIS A 13 5.945 6.479 7.760 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.836 4.926 7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.158 6.968 10.044 1.00 0.00 H new ATOM 205 N PRO A 14 7.588 8.160 4.611 1.00 0.00 N ATOM 206 CA PRO A 14 8.313 9.230 3.883 1.00 0.00 C ATOM 207 C PRO A 14 9.846 8.952 3.934 1.00 0.00 C ATOM 208 O PRO A 14 10.605 9.639 4.602 1.00 0.00 O ATOM 209 CB PRO A 14 7.915 10.510 4.634 1.00 0.00 C ATOM 210 CG PRO A 14 7.478 10.067 6.051 1.00 0.00 C ATOM 211 CD PRO A 14 7.175 8.558 5.978 1.00 0.00 C ATOM 0 HA PRO A 14 8.066 9.300 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.752 11.206 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.103 11.025 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.265 10.267 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.597 10.622 6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.729 8.005 6.736 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.117 8.357 6.147 1.00 0.00 H new ATOM 219 N GLY A 15 10.286 7.915 3.240 1.00 0.00 N ATOM 220 CA GLY A 15 11.740 7.520 3.239 1.00 0.00 C ATOM 221 C GLY A 15 12.583 8.436 2.336 1.00 0.00 C ATOM 222 O GLY A 15 12.279 8.621 1.167 1.00 0.00 O ATOM 0 H GLY A 15 9.688 7.319 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.127 7.558 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.836 6.488 2.900 1.00 0.00 H new ATOM 226 N SER A 16 13.652 8.991 2.879 1.00 0.00 N ATOM 227 CA SER A 16 14.564 9.891 2.085 1.00 0.00 C ATOM 228 C SER A 16 16.027 9.620 2.490 1.00 0.00 C ATOM 229 O SER A 16 16.461 10.007 3.564 1.00 0.00 O ATOM 230 CB SER A 16 14.202 11.357 2.359 1.00 0.00 C ATOM 231 OG SER A 16 14.592 12.150 1.241 1.00 0.00 O ATOM 0 H SER A 16 13.933 8.856 3.850 1.00 0.00 H new ATOM 0 HA SER A 16 14.445 9.690 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.130 11.454 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.704 11.706 3.261 1.00 0.00 H new ATOM 0 HG SER A 16 14.362 13.088 1.409 1.00 0.00 H new ATOM 237 N GLN A 17 16.781 8.937 1.645 1.00 0.00 N ATOM 238 CA GLN A 17 18.220 8.609 1.972 1.00 0.00 C ATOM 239 C GLN A 17 19.041 8.367 0.678 1.00 0.00 C ATOM 240 O GLN A 17 18.475 8.026 -0.349 1.00 0.00 O ATOM 241 CB GLN A 17 18.255 7.330 2.832 1.00 0.00 C ATOM 242 CG GLN A 17 18.658 7.674 4.273 1.00 0.00 C ATOM 243 CD GLN A 17 18.496 6.441 5.165 1.00 0.00 C ATOM 244 OE1 GLN A 17 17.528 6.324 5.881 1.00 0.00 O ATOM 245 NE2 GLN A 17 19.404 5.510 5.154 1.00 0.00 N ATOM 0 H GLN A 17 16.461 8.592 0.740 1.00 0.00 H new ATOM 0 HA GLN A 17 18.657 9.450 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 17 17.276 6.851 2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 17 18.962 6.617 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 17 19.691 8.019 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 17 18.040 8.490 4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 17 20.222 5.603 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 17 19.298 4.687 5.747 1.00 0.00 H new ATOM 254 N PRO A 18 20.366 8.516 0.769 1.00 0.00 N ATOM 255 CA PRO A 18 21.268 8.275 -0.380 1.00 0.00 C ATOM 256 C PRO A 18 21.449 6.753 -0.557 1.00 0.00 C ATOM 257 O PRO A 18 22.209 6.122 0.170 1.00 0.00 O ATOM 258 CB PRO A 18 22.577 8.966 0.031 1.00 0.00 C ATOM 259 CG PRO A 18 22.553 9.057 1.575 1.00 0.00 C ATOM 260 CD PRO A 18 21.079 8.931 2.005 1.00 0.00 C ATOM 0 HA PRO A 18 20.899 8.658 -1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 18 23.441 8.397 -0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 18 22.650 9.957 -0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 18 23.154 8.263 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 18 22.975 10.003 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 18 20.959 8.194 2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 18 20.694 9.877 2.387 1.00 0.00 H new ATOM 268 N LYS A 19 20.719 6.159 -1.491 1.00 0.00 N ATOM 269 CA LYS A 19 20.774 4.663 -1.726 1.00 0.00 C ATOM 270 C LYS A 19 20.170 3.960 -0.467 1.00 0.00 C ATOM 271 O LYS A 19 19.136 4.390 0.015 1.00 0.00 O ATOM 272 CB LYS A 19 22.232 4.195 -2.017 1.00 0.00 C ATOM 273 CG LYS A 19 22.912 5.097 -3.066 1.00 0.00 C ATOM 274 CD LYS A 19 24.434 5.098 -2.843 1.00 0.00 C ATOM 275 CE LYS A 19 24.827 6.170 -1.807 1.00 0.00 C ATOM 276 NZ LYS A 19 24.842 5.576 -0.423 1.00 0.00 N ATOM 0 H LYS A 19 20.078 6.656 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 19 20.191 4.393 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.811 4.207 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 19 22.221 3.165 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.682 4.740 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.524 6.113 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.758 4.116 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.946 5.290 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.810 6.575 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.122 7.000 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.624 5.990 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.940 5.781 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.973 4.546 -0.489 1.00 0.00 H new ATOM 290 N THR A 20 20.796 2.913 0.082 1.00 0.00 N ATOM 291 CA THR A 20 20.254 2.216 1.320 1.00 0.00 C ATOM 292 C THR A 20 18.844 1.632 1.033 1.00 0.00 C ATOM 293 O THR A 20 17.841 2.100 1.553 1.00 0.00 O ATOM 294 CB THR A 20 20.203 3.205 2.522 1.00 0.00 C ATOM 295 OG1 THR A 20 21.304 4.111 2.472 1.00 0.00 O ATOM 296 CG2 THR A 20 20.271 2.426 3.835 1.00 0.00 C ATOM 0 H THR A 20 21.662 2.514 -0.280 1.00 0.00 H new ATOM 0 HA THR A 20 20.923 1.395 1.580 1.00 0.00 H new ATOM 0 HB THR A 20 19.270 3.765 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 20 21.447 4.502 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 20 20.235 3.122 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.426 1.741 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 20 21.201 1.859 3.874 1.00 0.00 H new ATOM 304 N ALA A 21 18.773 0.612 0.195 1.00 0.00 N ATOM 305 CA ALA A 21 17.449 -0.013 -0.156 1.00 0.00 C ATOM 306 C ALA A 21 17.339 -1.438 0.425 1.00 0.00 C ATOM 307 O ALA A 21 18.270 -2.224 0.347 1.00 0.00 O ATOM 308 CB ALA A 21 17.316 -0.074 -1.682 1.00 0.00 C ATOM 0 H ALA A 21 19.580 0.186 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 21 16.651 0.594 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.360 -0.525 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 21 17.367 0.935 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.127 -0.675 -2.094 1.00 0.00 H new ATOM 314 N CYS A 22 16.191 -1.765 0.991 1.00 0.00 N ATOM 315 CA CYS A 22 15.963 -3.133 1.573 1.00 0.00 C ATOM 316 C CYS A 22 14.565 -3.638 1.135 1.00 0.00 C ATOM 317 O CYS A 22 13.621 -3.676 1.914 1.00 0.00 O ATOM 318 CB CYS A 22 16.071 -3.058 3.107 1.00 0.00 C ATOM 319 SG CYS A 22 16.249 -4.729 3.786 1.00 0.00 S ATOM 0 H CYS A 22 15.395 -1.133 1.074 1.00 0.00 H new ATOM 0 HA CYS A 22 16.716 -3.833 1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.927 -2.446 3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 22 15.184 -2.579 3.521 1.00 0.00 H new ATOM 0 HG CYS A 22 16.342 -4.664 5.081 1.00 0.00 H new ATOM 325 N ASN A 23 14.434 -4.012 -0.122 1.00 0.00 N ATOM 326 CA ASN A 23 13.110 -4.508 -0.654 1.00 0.00 C ATOM 327 C ASN A 23 12.992 -6.041 -0.486 1.00 0.00 C ATOM 328 O ASN A 23 13.985 -6.747 -0.424 1.00 0.00 O ATOM 329 CB ASN A 23 12.967 -4.121 -2.143 1.00 0.00 C ATOM 330 CG ASN A 23 14.111 -4.719 -2.976 1.00 0.00 C ATOM 331 OD1 ASN A 23 15.171 -4.145 -3.062 1.00 0.00 O ATOM 332 ND2 ASN A 23 13.945 -5.852 -3.592 1.00 0.00 N ATOM 0 H ASN A 23 15.189 -3.996 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 23 12.307 -4.040 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.010 -4.476 -2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.968 -3.036 -2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.706 -6.250 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.054 -6.343 -3.525 1.00 0.00 H new ATOM 339 N ARG A 24 11.774 -6.549 -0.418 1.00 0.00 N ATOM 340 CA ARG A 24 11.558 -8.030 -0.257 1.00 0.00 C ATOM 341 C ARG A 24 10.637 -8.554 -1.377 1.00 0.00 C ATOM 342 O ARG A 24 9.513 -8.096 -1.534 1.00 0.00 O ATOM 343 CB ARG A 24 10.931 -8.306 1.116 1.00 0.00 C ATOM 344 CG ARG A 24 12.032 -8.317 2.188 1.00 0.00 C ATOM 345 CD ARG A 24 11.545 -7.589 3.447 1.00 0.00 C ATOM 346 NE ARG A 24 12.673 -6.784 4.027 1.00 0.00 N ATOM 347 CZ ARG A 24 12.426 -5.745 4.764 1.00 0.00 C ATOM 348 NH1 ARG A 24 12.155 -5.900 6.023 1.00 0.00 N ATOM 349 NH2 ARG A 24 12.464 -4.559 4.241 1.00 0.00 N ATOM 0 H ARG A 24 10.918 -5.997 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 24 12.516 -8.546 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.189 -7.542 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.410 -9.263 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.302 -9.344 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.930 -7.834 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.707 -6.937 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.184 -8.310 4.180 1.00 0.00 H new ATOM 0 HE ARG A 24 13.638 -7.056 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.137 -6.835 6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.960 -5.086 6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.688 -4.444 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.270 -3.741 4.818 1.00 0.00 H new ATOM 363 N CYS A 25 11.121 -9.507 -2.155 1.00 0.00 N ATOM 364 CA CYS A 25 10.310 -10.091 -3.286 1.00 0.00 C ATOM 365 C CYS A 25 10.862 -11.486 -3.674 1.00 0.00 C ATOM 366 O CYS A 25 11.986 -11.830 -3.339 1.00 0.00 O ATOM 367 CB CYS A 25 10.385 -9.145 -4.498 1.00 0.00 C ATOM 368 SG CYS A 25 8.711 -8.685 -5.014 1.00 0.00 S ATOM 0 H CYS A 25 12.053 -9.908 -2.053 1.00 0.00 H new ATOM 0 HA CYS A 25 9.273 -10.202 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.955 -8.252 -4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.909 -9.632 -5.320 1.00 0.00 H new ATOM 0 HG CYS A 25 8.777 -7.884 -6.036 1.00 0.00 H new ATOM 374 N HIS A 26 10.077 -12.284 -4.381 1.00 0.00 N ATOM 375 CA HIS A 26 10.544 -13.654 -4.799 1.00 0.00 C ATOM 376 C HIS A 26 10.095 -13.953 -6.252 1.00 0.00 C ATOM 377 O HIS A 26 10.909 -13.942 -7.158 1.00 0.00 O ATOM 378 CB HIS A 26 9.982 -14.701 -3.810 1.00 0.00 C ATOM 379 CG HIS A 26 10.498 -16.074 -4.161 1.00 0.00 C ATOM 380 ND1 HIS A 26 9.748 -16.980 -4.891 1.00 0.00 N ATOM 381 CD2 HIS A 26 11.689 -16.700 -3.903 1.00 0.00 C ATOM 382 CE1 HIS A 26 10.491 -18.090 -5.049 1.00 0.00 C ATOM 383 NE2 HIS A 26 11.685 -17.971 -4.464 1.00 0.00 N ATOM 0 H HIS A 26 9.134 -12.042 -4.685 1.00 0.00 H new ATOM 0 HA HIS A 26 11.633 -13.698 -4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.273 -14.444 -2.792 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.892 -14.694 -3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.509 -16.270 -3.347 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.162 -18.969 -5.583 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.433 -18.664 -4.435 1.00 0.00 H new ATOM 391 N CYS A 27 8.814 -14.208 -6.476 1.00 0.00 N ATOM 392 CA CYS A 27 8.315 -14.502 -7.865 1.00 0.00 C ATOM 393 C CYS A 27 7.481 -13.316 -8.383 1.00 0.00 C ATOM 394 O CYS A 27 6.654 -12.772 -7.666 1.00 0.00 O ATOM 395 CB CYS A 27 7.454 -15.776 -7.847 1.00 0.00 C ATOM 396 SG CYS A 27 7.783 -16.749 -9.339 1.00 0.00 S ATOM 0 H CYS A 27 8.096 -14.224 -5.752 1.00 0.00 H new ATOM 0 HA CYS A 27 9.167 -14.654 -8.527 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.678 -16.366 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.397 -15.513 -7.797 1.00 0.00 H new ATOM 0 HG CYS A 27 7.057 -17.827 -9.323 1.00 0.00 H new ATOM 402 N LYS A 28 7.694 -12.917 -9.623 1.00 0.00 N ATOM 403 CA LYS A 28 6.920 -11.762 -10.206 1.00 0.00 C ATOM 404 C LYS A 28 5.751 -12.278 -11.079 1.00 0.00 C ATOM 405 O LYS A 28 5.888 -12.506 -12.272 1.00 0.00 O ATOM 406 CB LYS A 28 7.855 -10.820 -11.010 1.00 0.00 C ATOM 407 CG LYS A 28 8.685 -11.591 -12.060 1.00 0.00 C ATOM 408 CD LYS A 28 10.177 -11.531 -11.689 1.00 0.00 C ATOM 409 CE LYS A 28 10.798 -10.224 -12.205 1.00 0.00 C ATOM 410 NZ LYS A 28 11.346 -10.440 -13.582 1.00 0.00 N ATOM 0 H LYS A 28 8.371 -13.342 -10.257 1.00 0.00 H new ATOM 0 HA LYS A 28 6.495 -11.182 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.259 -10.056 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.527 -10.303 -10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.354 -12.628 -12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.529 -11.160 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.293 -11.596 -10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.701 -12.385 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.047 -9.434 -12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.592 -9.896 -11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.766 -9.555 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.075 -11.182 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.578 -10.733 -14.219 1.00 0.00 H new ATOM 424 N LYS A 29 4.597 -12.454 -10.467 1.00 0.00 N ATOM 425 CA LYS A 29 3.374 -12.938 -11.201 1.00 0.00 C ATOM 426 C LYS A 29 2.163 -12.167 -10.651 1.00 0.00 C ATOM 427 O LYS A 29 1.654 -12.495 -9.592 1.00 0.00 O ATOM 428 CB LYS A 29 3.197 -14.448 -10.969 1.00 0.00 C ATOM 429 CG LYS A 29 4.099 -15.225 -11.930 1.00 0.00 C ATOM 430 CD LYS A 29 3.704 -16.711 -11.919 1.00 0.00 C ATOM 431 CE LYS A 29 4.928 -17.579 -11.605 1.00 0.00 C ATOM 432 NZ LYS A 29 5.764 -17.729 -12.839 1.00 0.00 N ATOM 0 H LYS A 29 4.449 -12.280 -9.473 1.00 0.00 H new ATOM 0 HA LYS A 29 3.472 -12.767 -12.273 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.446 -14.699 -9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.156 -14.730 -11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.007 -14.821 -12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.143 -15.113 -11.636 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.926 -16.883 -11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.288 -16.992 -12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.516 -17.123 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.610 -18.558 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.594 -18.318 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.201 -18.182 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.078 -16.791 -13.162 1.00 0.00 H new ATOM 446 N CYS A 30 1.740 -11.106 -11.339 1.00 0.00 N ATOM 447 CA CYS A 30 0.597 -10.244 -10.846 1.00 0.00 C ATOM 448 C CYS A 30 0.983 -9.704 -9.446 1.00 0.00 C ATOM 449 O CYS A 30 0.428 -10.100 -8.433 1.00 0.00 O ATOM 450 CB CYS A 30 -0.714 -11.059 -10.794 1.00 0.00 C ATOM 451 SG CYS A 30 -1.239 -11.477 -12.478 1.00 0.00 S ATOM 0 H CYS A 30 2.144 -10.804 -12.225 1.00 0.00 H new ATOM 0 HA CYS A 30 0.424 -9.411 -11.527 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.565 -11.969 -10.212 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.492 -10.484 -10.292 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.341 -12.165 -12.431 1.00 0.00 H new ATOM 457 N CYS A 31 1.984 -8.836 -9.400 1.00 0.00 N ATOM 458 CA CYS A 31 2.495 -8.279 -8.093 1.00 0.00 C ATOM 459 C CYS A 31 1.483 -7.295 -7.449 1.00 0.00 C ATOM 460 O CYS A 31 1.729 -6.101 -7.336 1.00 0.00 O ATOM 461 CB CYS A 31 3.854 -7.589 -8.340 1.00 0.00 C ATOM 462 SG CYS A 31 5.151 -8.842 -8.537 1.00 0.00 S ATOM 0 H CYS A 31 2.472 -8.488 -10.225 1.00 0.00 H new ATOM 0 HA CYS A 31 2.623 -9.101 -7.388 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.799 -6.966 -9.232 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.095 -6.931 -7.506 1.00 0.00 H new ATOM 0 HG CYS A 31 6.292 -8.256 -8.747 1.00 0.00 H new ATOM 468 N TYR A 32 0.363 -7.813 -6.984 1.00 0.00 N ATOM 469 CA TYR A 32 -0.663 -6.968 -6.297 1.00 0.00 C ATOM 470 C TYR A 32 -0.334 -7.018 -4.795 1.00 0.00 C ATOM 471 O TYR A 32 -0.854 -7.842 -4.059 1.00 0.00 O ATOM 472 CB TYR A 32 -2.078 -7.528 -6.593 1.00 0.00 C ATOM 473 CG TYR A 32 -2.984 -6.433 -7.135 1.00 0.00 C ATOM 474 CD1 TYR A 32 -2.584 -5.653 -8.231 1.00 0.00 C ATOM 475 CD2 TYR A 32 -4.232 -6.206 -6.541 1.00 0.00 C ATOM 476 CE1 TYR A 32 -3.426 -4.649 -8.722 1.00 0.00 C ATOM 477 CE2 TYR A 32 -5.072 -5.200 -7.034 1.00 0.00 C ATOM 478 CZ TYR A 32 -4.671 -4.424 -8.124 1.00 0.00 C ATOM 479 OH TYR A 32 -5.502 -3.432 -8.605 1.00 0.00 O ATOM 0 H TYR A 32 0.118 -8.801 -7.055 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.649 -5.936 -6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.009 -8.341 -7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.508 -7.946 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.625 -5.828 -8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.547 -6.808 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.115 -4.047 -9.563 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.032 -5.024 -6.571 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.183 -3.136 -9.483 1.00 0.00 H new ATOM 489 N HIS A 33 0.587 -6.162 -4.361 1.00 0.00 N ATOM 490 CA HIS A 33 1.049 -6.141 -2.927 1.00 0.00 C ATOM 491 C HIS A 33 1.819 -7.462 -2.628 1.00 0.00 C ATOM 492 O HIS A 33 1.427 -8.298 -1.829 1.00 0.00 O ATOM 493 CB HIS A 33 -0.156 -5.869 -1.992 1.00 0.00 C ATOM 494 CG HIS A 33 0.159 -6.183 -0.558 1.00 0.00 C ATOM 495 ND1 HIS A 33 -0.681 -6.957 0.197 1.00 0.00 N ATOM 496 CD2 HIS A 33 1.177 -5.815 0.276 1.00 0.00 C ATOM 497 CE1 HIS A 33 -0.181 -7.021 1.433 1.00 0.00 C ATOM 498 NE2 HIS A 33 0.953 -6.344 1.534 1.00 0.00 N ATOM 0 H HIS A 33 1.041 -5.469 -4.956 1.00 0.00 H new ATOM 0 HA HIS A 33 1.749 -5.327 -2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.451 -4.823 -2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.007 -6.468 -2.315 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.538 -7.406 -0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.024 -5.206 -0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.643 -7.558 2.248 1.00 0.00 H new ATOM 506 N CYS A 34 2.951 -7.618 -3.281 1.00 0.00 N ATOM 507 CA CYS A 34 3.829 -8.821 -3.069 1.00 0.00 C ATOM 508 C CYS A 34 5.013 -8.448 -2.128 1.00 0.00 C ATOM 509 O CYS A 34 5.716 -9.326 -1.648 1.00 0.00 O ATOM 510 CB CYS A 34 4.377 -9.295 -4.427 1.00 0.00 C ATOM 511 SG CYS A 34 3.276 -10.556 -5.118 1.00 0.00 S ATOM 0 H CYS A 34 3.310 -6.951 -3.964 1.00 0.00 H new ATOM 0 HA CYS A 34 3.247 -9.620 -2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.457 -8.452 -5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.381 -9.702 -4.304 1.00 0.00 H new ATOM 0 HG CYS A 34 3.738 -10.954 -6.266 1.00 0.00 H new ATOM 517 N GLN A 35 5.234 -7.157 -1.869 1.00 0.00 N ATOM 518 CA GLN A 35 6.365 -6.703 -0.987 1.00 0.00 C ATOM 519 C GLN A 35 5.803 -6.390 0.433 1.00 0.00 C ATOM 520 O GLN A 35 5.326 -7.296 1.084 1.00 0.00 O ATOM 521 CB GLN A 35 7.058 -5.466 -1.640 1.00 0.00 C ATOM 522 CG GLN A 35 7.061 -5.560 -3.181 1.00 0.00 C ATOM 523 CD GLN A 35 6.067 -4.547 -3.756 1.00 0.00 C ATOM 524 OE1 GLN A 35 4.883 -4.808 -3.813 1.00 0.00 O ATOM 525 NE2 GLN A 35 6.493 -3.394 -4.182 1.00 0.00 N ATOM 0 H GLN A 35 4.664 -6.398 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 35 7.119 -7.483 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.543 -4.556 -1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.083 -5.390 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.061 -5.363 -3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.792 -6.568 -3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.487 -3.169 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.833 -2.715 -4.561 1.00 0.00 H new ATOM 534 N VAL A 36 5.838 -5.137 0.910 1.00 0.00 N ATOM 535 CA VAL A 36 5.292 -4.759 2.267 1.00 0.00 C ATOM 536 C VAL A 36 6.047 -5.460 3.435 1.00 0.00 C ATOM 537 O VAL A 36 6.969 -6.236 3.233 1.00 0.00 O ATOM 538 CB VAL A 36 3.751 -5.027 2.297 1.00 0.00 C ATOM 539 CG1 VAL A 36 3.379 -6.365 2.976 1.00 0.00 C ATOM 540 CG2 VAL A 36 3.052 -3.878 3.030 1.00 0.00 C ATOM 0 H VAL A 36 6.234 -4.352 0.393 1.00 0.00 H new ATOM 0 HA VAL A 36 5.462 -3.694 2.425 1.00 0.00 H new ATOM 0 HB VAL A 36 3.419 -5.091 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.296 -6.490 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.846 -7.189 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.732 -6.360 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.978 -4.061 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.431 -3.813 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.249 -2.941 2.509 1.00 0.00 H new ATOM 550 N CYS A 37 5.632 -5.176 4.658 1.00 0.00 N ATOM 551 CA CYS A 37 6.263 -5.794 5.872 1.00 0.00 C ATOM 552 C CYS A 37 5.211 -5.969 7.013 1.00 0.00 C ATOM 553 O CYS A 37 5.526 -5.841 8.186 1.00 0.00 O ATOM 554 CB CYS A 37 7.436 -4.905 6.328 1.00 0.00 C ATOM 555 SG CYS A 37 8.942 -5.903 6.427 1.00 0.00 S ATOM 0 H CYS A 37 4.869 -4.530 4.864 1.00 0.00 H new ATOM 0 HA CYS A 37 6.640 -6.787 5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.577 -4.082 5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.215 -4.462 7.299 1.00 0.00 H new ATOM 0 HG CYS A 37 9.881 -5.216 7.007 1.00 0.00 H new ATOM 561 N PHE A 38 3.968 -6.295 6.670 1.00 0.00 N ATOM 562 CA PHE A 38 2.893 -6.522 7.711 1.00 0.00 C ATOM 563 C PHE A 38 2.021 -7.747 7.284 1.00 0.00 C ATOM 564 O PHE A 38 2.570 -8.738 6.827 1.00 0.00 O ATOM 565 CB PHE A 38 2.076 -5.203 7.954 1.00 0.00 C ATOM 566 CG PHE A 38 1.222 -4.715 6.764 1.00 0.00 C ATOM 567 CD1 PHE A 38 1.144 -5.412 5.545 1.00 0.00 C ATOM 568 CD2 PHE A 38 0.488 -3.526 6.914 1.00 0.00 C ATOM 569 CE1 PHE A 38 0.347 -4.930 4.506 1.00 0.00 C ATOM 570 CE2 PHE A 38 -0.308 -3.049 5.866 1.00 0.00 C ATOM 571 CZ PHE A 38 -0.376 -3.750 4.664 1.00 0.00 C ATOM 0 H PHE A 38 3.655 -6.413 5.707 1.00 0.00 H new ATOM 0 HA PHE A 38 3.334 -6.769 8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.419 -5.357 8.810 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.773 -4.411 8.226 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.704 -6.326 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.538 -2.977 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.290 -5.474 3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.871 -2.135 5.990 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.989 -3.379 3.856 1.00 0.00 H new ATOM 581 N ILE A 39 0.695 -7.704 7.394 1.00 0.00 N ATOM 582 CA ILE A 39 -0.142 -8.880 6.952 1.00 0.00 C ATOM 583 C ILE A 39 -0.192 -8.889 5.415 1.00 0.00 C ATOM 584 O ILE A 39 -1.007 -8.202 4.809 1.00 0.00 O ATOM 585 CB ILE A 39 -1.598 -8.797 7.475 1.00 0.00 C ATOM 586 CG1 ILE A 39 -1.666 -8.822 8.997 1.00 0.00 C ATOM 587 CG2 ILE A 39 -2.405 -9.992 6.958 1.00 0.00 C ATOM 588 CD1 ILE A 39 -1.369 -7.438 9.540 1.00 0.00 C ATOM 0 H ILE A 39 0.169 -6.914 7.766 1.00 0.00 H new ATOM 0 HA ILE A 39 0.315 -9.784 7.355 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.007 -7.853 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.654 -9.147 9.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.948 -9.541 9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.428 -9.928 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.413 -9.981 5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.949 -10.918 7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.418 -7.456 10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.371 -7.131 9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.104 -6.731 9.156 1.00 0.00 H new ATOM 600 N LYS A 40 0.641 -9.682 4.784 1.00 0.00 N ATOM 601 CA LYS A 40 0.606 -9.761 3.290 1.00 0.00 C ATOM 602 C LYS A 40 -0.208 -11.004 2.850 1.00 0.00 C ATOM 603 O LYS A 40 0.083 -11.617 1.834 1.00 0.00 O ATOM 604 CB LYS A 40 2.045 -9.758 2.724 1.00 0.00 C ATOM 605 CG LYS A 40 2.801 -11.064 3.053 1.00 0.00 C ATOM 606 CD LYS A 40 4.331 -10.834 3.018 1.00 0.00 C ATOM 607 CE LYS A 40 4.760 -10.030 1.773 1.00 0.00 C ATOM 608 NZ LYS A 40 4.504 -10.815 0.523 1.00 0.00 N ATOM 0 H LYS A 40 1.339 -10.274 5.235 1.00 0.00 H new ATOM 0 HA LYS A 40 0.103 -8.884 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.009 -9.623 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.593 -8.909 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.505 -11.423 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.528 -11.838 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.640 -10.303 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.844 -11.796 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.213 -9.088 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.819 -9.781 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.921 -10.318 -0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.934 -11.758 0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.479 -10.915 0.379 1.00 0.00 H new ATOM 622 N LYS A 41 -1.244 -11.374 3.612 1.00 0.00 N ATOM 623 CA LYS A 41 -2.075 -12.571 3.231 1.00 0.00 C ATOM 624 C LYS A 41 -3.243 -12.200 2.280 1.00 0.00 C ATOM 625 O LYS A 41 -3.837 -13.081 1.684 1.00 0.00 O ATOM 626 CB LYS A 41 -2.600 -13.289 4.498 1.00 0.00 C ATOM 627 CG LYS A 41 -3.794 -12.554 5.154 1.00 0.00 C ATOM 628 CD LYS A 41 -3.745 -12.786 6.681 1.00 0.00 C ATOM 629 CE LYS A 41 -4.147 -14.227 7.033 1.00 0.00 C ATOM 630 NZ LYS A 41 -5.637 -14.373 6.983 1.00 0.00 N ATOM 0 H LYS A 41 -1.536 -10.898 4.466 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.427 -13.254 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.903 -14.303 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.790 -13.376 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.748 -11.488 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.735 -12.924 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.740 -12.585 7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.415 -12.086 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.682 -14.923 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.782 -14.482 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.933 -15.136 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.083 -13.481 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.931 -14.604 6.013 1.00 0.00 H new ATOM 644 N GLY A 42 -3.595 -10.925 2.143 1.00 0.00 N ATOM 645 CA GLY A 42 -4.734 -10.529 1.231 1.00 0.00 C ATOM 646 C GLY A 42 -6.082 -10.584 1.976 1.00 0.00 C ATOM 647 O GLY A 42 -6.898 -9.725 1.756 1.00 0.00 O ATOM 0 H GLY A 42 -3.142 -10.148 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.566 -9.522 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.763 -11.196 0.369 1.00 0.00 H new ATOM 651 N LEU A 43 -6.290 -11.588 2.856 1.00 0.00 N ATOM 652 CA LEU A 43 -7.566 -11.776 3.689 1.00 0.00 C ATOM 653 C LEU A 43 -8.694 -10.753 3.366 1.00 0.00 C ATOM 654 O LEU A 43 -9.387 -10.908 2.373 1.00 0.00 O ATOM 655 CB LEU A 43 -7.223 -11.784 5.217 1.00 0.00 C ATOM 656 CG LEU A 43 -6.218 -10.675 5.730 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.944 -9.506 4.761 1.00 0.00 C ATOM 658 CD2 LEU A 43 -6.763 -10.090 7.028 1.00 0.00 C ATOM 0 H LEU A 43 -5.592 -12.311 3.032 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.974 -12.746 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.154 -11.682 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.807 -12.760 5.466 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.265 -11.190 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.242 -8.810 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.518 -9.893 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.878 -8.988 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.081 -9.323 7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.742 -9.648 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.856 -10.880 7.773 1.00 0.00 H new ATOM 670 N GLY A 44 -8.867 -9.713 4.175 1.00 0.00 N ATOM 671 CA GLY A 44 -9.882 -8.672 3.915 1.00 0.00 C ATOM 672 C GLY A 44 -9.557 -7.977 2.587 1.00 0.00 C ATOM 673 O GLY A 44 -10.313 -8.047 1.635 1.00 0.00 O ATOM 0 H GLY A 44 -8.320 -9.559 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.876 -9.118 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.892 -7.945 4.727 1.00 0.00 H new ATOM 677 N ILE A 45 -8.402 -7.351 2.539 1.00 0.00 N ATOM 678 CA ILE A 45 -7.907 -6.669 1.291 1.00 0.00 C ATOM 679 C ILE A 45 -6.396 -6.957 1.135 1.00 0.00 C ATOM 680 O ILE A 45 -5.951 -7.323 0.063 1.00 0.00 O ATOM 681 CB ILE A 45 -8.155 -5.130 1.312 1.00 0.00 C ATOM 682 CG1 ILE A 45 -7.515 -4.453 2.527 1.00 0.00 C ATOM 683 CG2 ILE A 45 -9.635 -4.841 1.370 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.097 -4.013 2.179 1.00 0.00 C ATOM 0 H ILE A 45 -7.764 -7.282 3.332 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.466 -7.067 0.444 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.705 -4.736 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.110 -3.592 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.496 -5.142 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.795 -3.763 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.124 -5.269 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.057 -5.282 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.643 -3.531 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.505 -4.883 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.128 -3.309 1.347 1.00 0.00 H new ATOM 696 N SER A 46 -5.623 -6.786 2.217 1.00 0.00 N ATOM 697 CA SER A 46 -4.127 -7.022 2.226 1.00 0.00 C ATOM 698 C SER A 46 -3.491 -6.460 3.536 1.00 0.00 C ATOM 699 O SER A 46 -2.408 -5.904 3.519 1.00 0.00 O ATOM 700 CB SER A 46 -3.479 -6.339 1.006 1.00 0.00 C ATOM 701 OG SER A 46 -3.333 -7.296 -0.042 1.00 0.00 O ATOM 0 H SER A 46 -5.991 -6.482 3.118 1.00 0.00 H new ATOM 0 HA SER A 46 -3.948 -8.096 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.096 -5.505 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.507 -5.928 1.278 1.00 0.00 H new ATOM 0 HG SER A 46 -4.218 -7.604 -0.329 1.00 0.00 H new ATOM 707 N TYR A 47 -4.157 -6.617 4.670 1.00 0.00 N ATOM 708 CA TYR A 47 -3.620 -6.125 5.978 1.00 0.00 C ATOM 709 C TYR A 47 -4.220 -6.979 7.129 1.00 0.00 C ATOM 710 O TYR A 47 -4.663 -8.080 6.905 1.00 0.00 O ATOM 711 CB TYR A 47 -3.918 -4.603 6.117 1.00 0.00 C ATOM 712 CG TYR A 47 -5.353 -4.275 6.550 1.00 0.00 C ATOM 713 CD1 TYR A 47 -6.397 -4.277 5.622 1.00 0.00 C ATOM 714 CD2 TYR A 47 -5.614 -3.881 7.873 1.00 0.00 C ATOM 715 CE1 TYR A 47 -7.682 -3.881 6.010 1.00 0.00 C ATOM 716 CE2 TYR A 47 -6.900 -3.511 8.262 1.00 0.00 C ATOM 717 CZ TYR A 47 -7.934 -3.501 7.333 1.00 0.00 C ATOM 718 OH TYR A 47 -9.197 -3.095 7.718 1.00 0.00 O ATOM 0 H TYR A 47 -5.066 -7.075 4.735 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.537 -6.240 6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.226 -4.174 6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.720 -4.118 5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.212 -4.585 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.811 -3.865 8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.483 -3.869 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.094 -3.232 9.287 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.134 -2.246 8.204 1.00 0.00 H new ATOM 728 N GLY A 48 -4.208 -6.495 8.349 1.00 0.00 N ATOM 729 CA GLY A 48 -4.758 -7.276 9.524 1.00 0.00 C ATOM 730 C GLY A 48 -6.235 -7.714 9.335 1.00 0.00 C ATOM 731 O GLY A 48 -6.684 -8.604 10.037 1.00 0.00 O ATOM 0 H GLY A 48 -3.836 -5.577 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.142 -8.161 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.680 -6.667 10.424 1.00 0.00 H new ATOM 735 N ARG A 49 -6.994 -7.093 8.428 1.00 0.00 N ATOM 736 CA ARG A 49 -8.452 -7.464 8.225 1.00 0.00 C ATOM 737 C ARG A 49 -9.063 -6.626 7.056 1.00 0.00 C ATOM 738 O ARG A 49 -8.482 -6.586 5.984 1.00 0.00 O ATOM 739 CB ARG A 49 -9.195 -7.230 9.557 1.00 0.00 C ATOM 740 CG ARG A 49 -8.835 -5.843 10.129 1.00 0.00 C ATOM 741 CD ARG A 49 -9.680 -5.541 11.357 1.00 0.00 C ATOM 742 NE ARG A 49 -8.951 -5.984 12.593 1.00 0.00 N ATOM 743 CZ ARG A 49 -9.046 -7.209 13.021 1.00 0.00 C ATOM 744 NH1 ARG A 49 -9.982 -7.526 13.859 1.00 0.00 N ATOM 745 NH2 ARG A 49 -8.201 -8.103 12.613 1.00 0.00 N ATOM 0 H ARG A 49 -6.660 -6.344 7.821 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.551 -8.513 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.271 -7.298 9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.928 -8.008 10.273 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.777 -5.814 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.997 -5.077 9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.892 -4.473 11.411 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.639 -6.053 11.285 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.374 -5.316 13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.641 -6.816 14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.060 -8.485 14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.463 -7.846 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.274 -9.064 12.947 1.00 0.00 H new ATOM 759 N LYS A 50 -10.210 -5.958 7.262 1.00 0.00 N ATOM 760 CA LYS A 50 -10.874 -5.099 6.215 1.00 0.00 C ATOM 761 C LYS A 50 -12.253 -4.646 6.736 1.00 0.00 C ATOM 762 O LYS A 50 -12.982 -5.419 7.339 1.00 0.00 O ATOM 763 CB LYS A 50 -11.078 -5.852 4.888 1.00 0.00 C ATOM 764 CG LYS A 50 -11.650 -4.882 3.840 1.00 0.00 C ATOM 765 CD LYS A 50 -12.347 -5.647 2.700 1.00 0.00 C ATOM 766 CE LYS A 50 -13.598 -6.382 3.200 1.00 0.00 C ATOM 767 NZ LYS A 50 -13.701 -7.703 2.502 1.00 0.00 N ATOM 0 H LYS A 50 -10.716 -5.985 8.147 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.221 -4.247 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.131 -6.265 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.757 -6.692 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.360 -4.205 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.847 -4.267 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.625 -4.950 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.652 -6.364 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.542 -6.530 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.488 -5.784 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.465 -8.263 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.908 -7.548 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.801 -8.216 2.596 1.00 0.00 H new ATOM 781 N LYS A 51 -12.629 -3.412 6.465 1.00 0.00 N ATOM 782 CA LYS A 51 -13.985 -2.909 6.889 1.00 0.00 C ATOM 783 C LYS A 51 -15.039 -3.430 5.878 1.00 0.00 C ATOM 784 O LYS A 51 -14.700 -4.145 4.942 1.00 0.00 O ATOM 785 CB LYS A 51 -13.972 -1.365 6.910 1.00 0.00 C ATOM 786 CG LYS A 51 -13.705 -0.860 8.336 1.00 0.00 C ATOM 787 CD LYS A 51 -12.226 -1.081 8.710 1.00 0.00 C ATOM 788 CE LYS A 51 -12.095 -2.260 9.688 1.00 0.00 C ATOM 789 NZ LYS A 51 -12.349 -1.785 11.088 1.00 0.00 N ATOM 0 H LYS A 51 -12.055 -2.731 5.968 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.233 -3.268 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.204 -0.991 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.927 -0.980 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.951 0.199 8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.349 -1.385 9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.642 -1.278 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.819 -0.177 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.805 -3.044 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.098 -2.696 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.260 -2.584 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.655 -1.052 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.309 -1.389 11.152 1.00 0.00 H new ATOM 803 N ARG A 52 -16.306 -3.086 6.042 1.00 0.00 N ATOM 804 CA ARG A 52 -17.358 -3.571 5.068 1.00 0.00 C ATOM 805 C ARG A 52 -17.338 -2.687 3.785 1.00 0.00 C ATOM 806 O ARG A 52 -18.305 -2.022 3.438 1.00 0.00 O ATOM 807 CB ARG A 52 -18.755 -3.601 5.743 1.00 0.00 C ATOM 808 CG ARG A 52 -19.120 -2.238 6.358 1.00 0.00 C ATOM 809 CD ARG A 52 -20.620 -2.205 6.672 1.00 0.00 C ATOM 810 NE ARG A 52 -21.389 -1.932 5.411 1.00 0.00 N ATOM 811 CZ ARG A 52 -22.188 -2.829 4.914 1.00 0.00 C ATOM 812 NH1 ARG A 52 -23.369 -2.997 5.427 1.00 0.00 N ATOM 813 NH2 ARG A 52 -21.802 -3.543 3.902 1.00 0.00 N ATOM 0 H ARG A 52 -16.655 -2.497 6.799 1.00 0.00 H new ATOM 0 HA ARG A 52 -17.131 -4.594 4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.509 -3.882 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.767 -4.366 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.543 -2.071 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -18.864 -1.435 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.933 -3.156 7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.831 -1.434 7.413 1.00 0.00 H new ATOM 0 HE ARG A 52 -21.283 -1.034 4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -23.668 -2.426 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -23.998 -3.700 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.876 -3.399 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -22.425 -4.248 3.508 1.00 0.00 H new ATOM 827 N ARG A 53 -16.212 -2.702 3.085 1.00 0.00 N ATOM 828 CA ARG A 53 -16.026 -1.908 1.822 1.00 0.00 C ATOM 829 C ARG A 53 -15.212 -2.754 0.819 1.00 0.00 C ATOM 830 O ARG A 53 -14.334 -3.510 1.216 1.00 0.00 O ATOM 831 CB ARG A 53 -15.238 -0.622 2.138 1.00 0.00 C ATOM 832 CG ARG A 53 -16.174 0.467 2.679 1.00 0.00 C ATOM 833 CD ARG A 53 -15.499 1.841 2.558 1.00 0.00 C ATOM 834 NE ARG A 53 -14.879 2.217 3.874 1.00 0.00 N ATOM 835 CZ ARG A 53 -15.028 3.415 4.359 1.00 0.00 C ATOM 836 NH1 ARG A 53 -16.136 3.734 4.955 1.00 0.00 N ATOM 837 NH2 ARG A 53 -14.069 4.283 4.246 1.00 0.00 N ATOM 0 H ARG A 53 -15.394 -3.250 3.351 1.00 0.00 H new ATOM 0 HA ARG A 53 -16.998 -1.651 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.460 -0.837 2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.738 -0.265 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.112 0.462 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.420 0.263 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.736 1.815 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.231 2.592 2.262 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.336 1.526 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.885 3.047 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.258 4.672 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.200 4.025 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.184 5.223 4.626 1.00 0.00 H new ATOM 851 N GLN A 54 -15.483 -2.632 -0.466 1.00 0.00 N ATOM 852 CA GLN A 54 -14.712 -3.424 -1.486 1.00 0.00 C ATOM 853 C GLN A 54 -14.319 -2.522 -2.675 1.00 0.00 C ATOM 854 O GLN A 54 -15.117 -2.261 -3.563 1.00 0.00 O ATOM 855 CB GLN A 54 -15.563 -4.617 -1.967 1.00 0.00 C ATOM 856 CG GLN A 54 -14.723 -5.908 -1.919 1.00 0.00 C ATOM 857 CD GLN A 54 -15.382 -6.933 -0.988 1.00 0.00 C ATOM 858 OE1 GLN A 54 -14.978 -7.086 0.145 1.00 0.00 O ATOM 859 NE2 GLN A 54 -16.379 -7.652 -1.415 1.00 0.00 N ATOM 0 H GLN A 54 -16.203 -2.020 -0.850 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.798 -3.805 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -16.446 -4.723 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -15.915 -4.439 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.626 -6.325 -2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.716 -5.683 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.725 -7.530 -2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.814 -8.338 -0.798 1.00 0.00 H new ATOM 868 N ARG A 55 -13.084 -2.052 -2.692 1.00 0.00 N ATOM 869 CA ARG A 55 -12.607 -1.177 -3.814 1.00 0.00 C ATOM 870 C ARG A 55 -11.564 -1.952 -4.652 1.00 0.00 C ATOM 871 O ARG A 55 -10.365 -1.770 -4.501 1.00 0.00 O ATOM 872 CB ARG A 55 -11.997 0.125 -3.244 1.00 0.00 C ATOM 873 CG ARG A 55 -12.300 1.307 -4.186 1.00 0.00 C ATOM 874 CD ARG A 55 -11.575 1.126 -5.529 1.00 0.00 C ATOM 875 NE ARG A 55 -10.881 2.397 -5.895 1.00 0.00 N ATOM 876 CZ ARG A 55 -9.584 2.465 -5.928 1.00 0.00 C ATOM 877 NH1 ARG A 55 -8.925 2.686 -4.837 1.00 0.00 N ATOM 878 NH2 ARG A 55 -8.957 2.352 -7.057 1.00 0.00 N ATOM 0 H ARG A 55 -12.387 -2.241 -1.972 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.446 -0.906 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.406 0.325 -2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.919 0.010 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.375 1.380 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.986 2.241 -3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.853 0.312 -5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.289 0.852 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.433 3.224 -6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.424 2.806 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.907 2.740 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.482 2.210 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.939 2.405 -7.082 1.00 0.00 H new ATOM 892 N ARG A 56 -12.025 -2.812 -5.539 1.00 0.00 N ATOM 893 CA ARG A 56 -11.083 -3.604 -6.407 1.00 0.00 C ATOM 894 C ARG A 56 -11.632 -3.679 -7.849 1.00 0.00 C ATOM 895 O ARG A 56 -12.706 -4.205 -8.095 1.00 0.00 O ATOM 896 CB ARG A 56 -10.849 -5.015 -5.816 1.00 0.00 C ATOM 897 CG ARG A 56 -12.175 -5.747 -5.531 1.00 0.00 C ATOM 898 CD ARG A 56 -11.948 -6.829 -4.467 1.00 0.00 C ATOM 899 NE ARG A 56 -11.089 -7.925 -5.032 1.00 0.00 N ATOM 900 CZ ARG A 56 -11.520 -9.148 -5.071 1.00 0.00 C ATOM 901 NH1 ARG A 56 -12.334 -9.513 -6.014 1.00 0.00 N ATOM 902 NH2 ARG A 56 -11.130 -9.998 -4.170 1.00 0.00 N ATOM 0 H ARG A 56 -13.015 -3.000 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.118 -3.099 -6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.251 -5.605 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.275 -4.931 -4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.927 -5.037 -5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.557 -6.198 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.469 -6.395 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.904 -7.236 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.159 -7.705 -5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.632 -8.839 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.676 -10.473 -6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.487 -9.703 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.467 -10.960 -4.197 1.00 0.00 H new ATOM 916 N ARG A 57 -10.889 -3.133 -8.792 1.00 0.00 N ATOM 917 CA ARG A 57 -11.312 -3.122 -10.234 1.00 0.00 C ATOM 918 C ARG A 57 -10.064 -2.881 -11.135 1.00 0.00 C ATOM 919 O ARG A 57 -8.997 -2.584 -10.613 1.00 0.00 O ATOM 920 CB ARG A 57 -12.381 -2.009 -10.428 1.00 0.00 C ATOM 921 CG ARG A 57 -11.735 -0.609 -10.524 1.00 0.00 C ATOM 922 CD ARG A 57 -12.806 0.442 -10.830 1.00 0.00 C ATOM 923 NE ARG A 57 -13.204 0.348 -12.275 1.00 0.00 N ATOM 924 CZ ARG A 57 -12.773 1.215 -13.141 1.00 0.00 C ATOM 925 NH1 ARG A 57 -13.382 2.354 -13.272 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.738 0.937 -13.870 1.00 0.00 N ATOM 0 H ARG A 57 -9.989 -2.686 -8.617 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.750 -4.079 -10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.954 -2.208 -11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.084 -2.030 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.233 -0.366 -9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.974 -0.603 -11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.676 0.286 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.424 1.439 -10.611 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.820 -0.406 -12.580 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.196 2.566 -12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.046 3.037 -13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.265 0.040 -13.763 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.397 1.615 -14.551 1.00 0.00 H new ATOM 940 N PRO A 58 -10.220 -2.978 -12.458 1.00 0.00 N ATOM 941 CA PRO A 58 -9.096 -2.733 -13.397 1.00 0.00 C ATOM 942 C PRO A 58 -8.726 -1.233 -13.377 1.00 0.00 C ATOM 943 O PRO A 58 -9.295 -0.420 -14.091 1.00 0.00 O ATOM 944 CB PRO A 58 -9.640 -3.213 -14.752 1.00 0.00 C ATOM 945 CG PRO A 58 -11.179 -3.195 -14.634 1.00 0.00 C ATOM 946 CD PRO A 58 -11.499 -3.319 -13.135 1.00 0.00 C ATOM 0 HA PRO A 58 -8.173 -3.256 -13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.305 -2.561 -15.558 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.280 -4.216 -14.982 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.590 -2.272 -15.044 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.622 -4.018 -15.195 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.298 -2.639 -12.841 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.828 -4.326 -12.880 1.00 0.00 H new ATOM 954 N SER A 59 -7.797 -0.876 -12.507 1.00 0.00 N ATOM 955 CA SER A 59 -7.364 0.558 -12.340 1.00 0.00 C ATOM 956 C SER A 59 -6.097 0.641 -11.454 1.00 0.00 C ATOM 957 O SER A 59 -5.143 1.319 -11.801 1.00 0.00 O ATOM 958 CB SER A 59 -8.502 1.379 -11.688 1.00 0.00 C ATOM 959 OG SER A 59 -8.858 0.824 -10.412 1.00 0.00 O ATOM 0 H SER A 59 -7.313 -1.533 -11.895 1.00 0.00 H new ATOM 0 HA SER A 59 -7.136 0.967 -13.324 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.186 2.415 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.373 1.387 -12.343 1.00 0.00 H new ATOM 0 HG SER A 59 -9.578 1.356 -10.013 1.00 0.00 H new ATOM 965 N GLN A 60 -6.088 -0.042 -10.314 1.00 0.00 N ATOM 966 CA GLN A 60 -4.895 -0.012 -9.398 1.00 0.00 C ATOM 967 C GLN A 60 -3.788 -0.958 -9.905 1.00 0.00 C ATOM 968 O GLN A 60 -4.024 -1.827 -10.732 1.00 0.00 O ATOM 969 CB GLN A 60 -5.319 -0.419 -7.978 1.00 0.00 C ATOM 970 CG GLN A 60 -5.300 0.820 -7.075 1.00 0.00 C ATOM 971 CD GLN A 60 -3.880 1.126 -6.550 1.00 0.00 C ATOM 972 OE1 GLN A 60 -2.910 0.490 -6.910 1.00 0.00 O ATOM 973 NE2 GLN A 60 -3.714 2.089 -5.704 1.00 0.00 N ATOM 0 H GLN A 60 -6.862 -0.618 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.498 1.003 -9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.317 -0.857 -7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.643 -1.180 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.675 1.680 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.974 0.666 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.516 2.635 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.781 2.303 -5.351 1.00 0.00 H new ATOM 982 N GLY A 61 -2.577 -0.773 -9.410 1.00 0.00 N ATOM 983 CA GLY A 61 -1.415 -1.623 -9.845 1.00 0.00 C ATOM 984 C GLY A 61 -0.798 -2.416 -8.675 1.00 0.00 C ATOM 985 O GLY A 61 -0.352 -3.530 -8.884 1.00 0.00 O ATOM 0 H GLY A 61 -2.345 -0.062 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.745 -2.318 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.651 -0.988 -10.293 1.00 0.00 H new ATOM 989 N GLY A 62 -0.724 -1.861 -7.462 1.00 0.00 N ATOM 990 CA GLY A 62 -0.077 -2.630 -6.328 1.00 0.00 C ATOM 991 C GLY A 62 -1.043 -2.939 -5.172 1.00 0.00 C ATOM 992 O GLY A 62 -0.649 -2.822 -4.024 1.00 0.00 O ATOM 0 H GLY A 62 -1.075 -0.935 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.325 -3.566 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.766 -2.056 -5.944 1.00 0.00 H new ATOM 996 N GLN A 63 -2.285 -3.343 -5.449 1.00 0.00 N ATOM 997 CA GLN A 63 -3.274 -3.677 -4.345 1.00 0.00 C ATOM 998 C GLN A 63 -3.463 -2.436 -3.446 1.00 0.00 C ATOM 999 O GLN A 63 -3.337 -2.511 -2.227 1.00 0.00 O ATOM 1000 CB GLN A 63 -2.711 -4.862 -3.513 1.00 0.00 C ATOM 1001 CG GLN A 63 -3.791 -5.906 -3.142 1.00 0.00 C ATOM 1002 CD GLN A 63 -5.141 -5.259 -2.792 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -6.085 -5.363 -3.543 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -5.274 -4.596 -1.682 1.00 0.00 N ATOM 0 H GLN A 63 -2.652 -3.454 -6.394 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.238 -3.959 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.919 -5.352 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.258 -4.475 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.927 -6.595 -3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.444 -6.497 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.483 -4.504 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.170 -4.167 -1.448 1.00 0.00 H new ATOM 1013 N THR A 64 -3.720 -1.282 -4.052 1.00 0.00 N ATOM 1014 CA THR A 64 -3.865 0.013 -3.283 1.00 0.00 C ATOM 1015 C THR A 64 -2.689 0.155 -2.299 1.00 0.00 C ATOM 1016 O THR A 64 -2.858 0.421 -1.118 1.00 0.00 O ATOM 1017 CB THR A 64 -5.235 0.124 -2.574 1.00 0.00 C ATOM 1018 OG1 THR A 64 -5.837 -1.152 -2.386 1.00 0.00 O ATOM 1019 CG2 THR A 64 -6.139 0.987 -3.438 1.00 0.00 C ATOM 0 H THR A 64 -3.836 -1.185 -5.061 1.00 0.00 H new ATOM 0 HA THR A 64 -3.833 0.843 -3.989 1.00 0.00 H new ATOM 0 HB THR A 64 -5.089 0.565 -1.588 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.700 -1.043 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.115 1.083 -2.961 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.694 1.975 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.258 0.523 -4.417 1.00 0.00 H new ATOM 1027 N HIS A 65 -1.487 -0.068 -2.814 1.00 0.00 N ATOM 1028 CA HIS A 65 -0.225 -0.004 -1.988 1.00 0.00 C ATOM 1029 C HIS A 65 -0.181 1.260 -1.095 1.00 0.00 C ATOM 1030 O HIS A 65 0.280 1.204 0.034 1.00 0.00 O ATOM 1031 CB HIS A 65 1.081 -0.036 -2.862 1.00 0.00 C ATOM 1032 CG HIS A 65 0.901 0.442 -4.302 1.00 0.00 C ATOM 1033 ND1 HIS A 65 1.695 -0.045 -5.326 1.00 0.00 N ATOM 1034 CD2 HIS A 65 0.052 1.345 -4.898 1.00 0.00 C ATOM 1035 CE1 HIS A 65 1.309 0.554 -6.468 1.00 0.00 C ATOM 1036 NE2 HIS A 65 0.311 1.410 -6.263 1.00 0.00 N ATOM 0 H HIS A 65 -1.329 -0.297 -3.795 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.253 -0.897 -1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.838 0.583 -2.381 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.466 -1.056 -2.878 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.704 1.919 -4.382 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.755 0.363 -7.433 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -0.162 1.989 -6.957 1.00 0.00 H new ATOM 1044 N GLN A 66 -0.649 2.388 -1.593 1.00 0.00 N ATOM 1045 CA GLN A 66 -0.623 3.650 -0.790 1.00 0.00 C ATOM 1046 C GLN A 66 -2.041 4.054 -0.306 1.00 0.00 C ATOM 1047 O GLN A 66 -2.442 5.210 -0.380 1.00 0.00 O ATOM 1048 CB GLN A 66 -0.007 4.729 -1.662 1.00 0.00 C ATOM 1049 CG GLN A 66 0.203 6.004 -0.855 1.00 0.00 C ATOM 1050 CD GLN A 66 1.660 6.114 -0.408 1.00 0.00 C ATOM 1051 OE1 GLN A 66 2.015 5.653 0.655 1.00 0.00 O ATOM 1052 NE2 GLN A 66 2.517 6.723 -1.162 1.00 0.00 N ATOM 0 H GLN A 66 -1.049 2.483 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.030 3.506 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.946 4.383 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.656 4.932 -2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.067 6.872 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.453 6.004 0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.222 7.112 -2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.487 6.814 -0.861 1.00 0.00 H new ATOM 1061 N ASP A 67 -2.783 3.120 0.226 1.00 0.00 N ATOM 1062 CA ASP A 67 -4.132 3.440 0.759 1.00 0.00 C ATOM 1063 C ASP A 67 -4.102 3.885 2.270 1.00 0.00 C ATOM 1064 O ASP A 67 -5.016 4.580 2.675 1.00 0.00 O ATOM 1065 CB ASP A 67 -5.037 2.212 0.589 1.00 0.00 C ATOM 1066 CG ASP A 67 -6.481 2.642 0.327 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.088 3.230 1.205 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -6.977 2.366 -0.749 1.00 0.00 O ATOM 0 H ASP A 67 -2.507 2.142 0.313 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.522 4.286 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.678 1.600 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.993 1.593 1.485 1.00 0.00 H new ATOM 1073 N PRO A 68 -3.075 3.524 3.085 1.00 0.00 N ATOM 1074 CA PRO A 68 -3.021 3.955 4.517 1.00 0.00 C ATOM 1075 C PRO A 68 -2.593 5.448 4.691 1.00 0.00 C ATOM 1076 O PRO A 68 -2.076 5.834 5.720 1.00 0.00 O ATOM 1077 CB PRO A 68 -1.989 3.012 5.134 1.00 0.00 C ATOM 1078 CG PRO A 68 -1.100 2.524 3.981 1.00 0.00 C ATOM 1079 CD PRO A 68 -1.915 2.683 2.701 1.00 0.00 C ATOM 0 HA PRO A 68 -4.001 3.901 4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.396 3.527 5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.477 2.173 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.180 3.106 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.811 1.483 4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.327 3.157 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.239 1.716 2.317 1.00 0.00 H new ATOM 1087 N ILE A 69 -2.821 6.284 3.707 1.00 0.00 N ATOM 1088 CA ILE A 69 -2.477 7.753 3.806 1.00 0.00 C ATOM 1089 C ILE A 69 -3.531 8.454 4.729 1.00 0.00 C ATOM 1090 O ILE A 69 -4.459 7.800 5.171 1.00 0.00 O ATOM 1091 CB ILE A 69 -2.426 8.341 2.382 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -3.770 8.160 1.681 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -1.339 7.626 1.578 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -4.385 9.530 1.468 1.00 0.00 C ATOM 0 H ILE A 69 -3.240 6.011 2.818 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.498 7.914 4.258 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.203 9.406 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.635 7.652 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.431 7.537 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.300 8.040 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.374 7.767 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.567 6.561 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.347 9.423 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.529 10.018 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.721 10.135 0.851 1.00 0.00 H new ATOM 1106 N PRO A 70 -3.364 9.743 5.045 1.00 0.00 N ATOM 1107 CA PRO A 70 -4.294 10.439 5.975 1.00 0.00 C ATOM 1108 C PRO A 70 -5.694 10.623 5.354 1.00 0.00 C ATOM 1109 O PRO A 70 -5.968 11.605 4.683 1.00 0.00 O ATOM 1110 CB PRO A 70 -3.581 11.764 6.287 1.00 0.00 C ATOM 1111 CG PRO A 70 -2.580 12.002 5.138 1.00 0.00 C ATOM 1112 CD PRO A 70 -2.302 10.627 4.500 1.00 0.00 C ATOM 0 HA PRO A 70 -4.494 9.872 6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.297 12.583 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.066 11.711 7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.992 12.693 4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.659 12.448 5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.347 10.678 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.309 10.262 4.761 1.00 0.00 H new ATOM 1120 N LYS A 71 -6.568 9.647 5.586 1.00 0.00 N ATOM 1121 CA LYS A 71 -7.978 9.654 5.047 1.00 0.00 C ATOM 1122 C LYS A 71 -7.960 9.520 3.504 1.00 0.00 C ATOM 1123 O LYS A 71 -7.059 8.899 2.961 1.00 0.00 O ATOM 1124 CB LYS A 71 -8.728 10.915 5.543 1.00 0.00 C ATOM 1125 CG LYS A 71 -8.764 10.955 7.090 1.00 0.00 C ATOM 1126 CD LYS A 71 -9.366 9.651 7.663 1.00 0.00 C ATOM 1127 CE LYS A 71 -8.252 8.755 8.240 1.00 0.00 C ATOM 1128 NZ LYS A 71 -8.407 7.352 7.747 1.00 0.00 N ATOM 0 H LYS A 71 -6.348 8.823 6.145 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.528 8.793 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.236 11.810 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.745 10.918 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.755 11.095 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.354 11.809 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.091 9.889 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.903 9.116 6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.276 9.144 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.290 8.771 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.964 6.696 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.418 7.126 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.947 7.257 6.819 1.00 0.00 H new ATOM 1142 N GLN A 72 -8.941 10.056 2.791 1.00 0.00 N ATOM 1143 CA GLN A 72 -8.954 9.906 1.281 1.00 0.00 C ATOM 1144 C GLN A 72 -8.845 11.263 0.495 1.00 0.00 C ATOM 1145 O GLN A 72 -9.644 11.517 -0.396 1.00 0.00 O ATOM 1146 CB GLN A 72 -10.220 9.111 0.827 1.00 0.00 C ATOM 1147 CG GLN A 72 -11.475 9.437 1.683 1.00 0.00 C ATOM 1148 CD GLN A 72 -11.785 10.943 1.683 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -11.406 11.650 2.589 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -12.462 11.469 0.708 1.00 0.00 N ATOM 0 H GLN A 72 -9.722 10.583 3.181 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.052 9.348 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.430 9.337 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.013 8.042 0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.333 8.888 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.316 9.098 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.787 10.883 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.669 12.468 0.711 1.00 0.00 H new ATOM 1159 N PRO A 73 -7.817 12.070 0.775 1.00 0.00 N ATOM 1160 CA PRO A 73 -7.574 13.331 0.032 1.00 0.00 C ATOM 1161 C PRO A 73 -6.855 13.001 -1.306 1.00 0.00 C ATOM 1162 O PRO A 73 -7.260 13.458 -2.358 1.00 0.00 O ATOM 1163 CB PRO A 73 -6.683 14.145 0.979 1.00 0.00 C ATOM 1164 CG PRO A 73 -6.001 13.124 1.920 1.00 0.00 C ATOM 1165 CD PRO A 73 -6.828 11.826 1.843 1.00 0.00 C ATOM 0 HA PRO A 73 -8.479 13.878 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.941 14.715 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.274 14.863 1.548 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.970 12.944 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.969 13.502 2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.197 10.969 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.317 11.612 2.793 1.00 0.00 H new ATOM 1173 N SER A 74 -5.807 12.178 -1.255 1.00 0.00 N ATOM 1174 CA SER A 74 -5.058 11.753 -2.490 1.00 0.00 C ATOM 1175 C SER A 74 -4.128 10.562 -2.137 1.00 0.00 C ATOM 1176 O SER A 74 -4.520 9.421 -2.296 1.00 0.00 O ATOM 1177 CB SER A 74 -4.251 12.933 -3.075 1.00 0.00 C ATOM 1178 OG SER A 74 -4.971 13.520 -4.160 1.00 0.00 O ATOM 0 H SER A 74 -5.441 11.782 -0.389 1.00 0.00 H new ATOM 0 HA SER A 74 -5.769 11.435 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.068 13.679 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.277 12.585 -3.419 1.00 0.00 H new ATOM 0 HG SER A 74 -5.895 13.694 -3.883 1.00 0.00 H new ATOM 1184 N SER A 75 -2.914 10.815 -1.645 1.00 0.00 N ATOM 1185 CA SER A 75 -1.955 9.700 -1.260 1.00 0.00 C ATOM 1186 C SER A 75 -0.670 10.300 -0.607 1.00 0.00 C ATOM 1187 O SER A 75 -0.633 11.476 -0.273 1.00 0.00 O ATOM 1188 CB SER A 75 -1.591 8.853 -2.510 1.00 0.00 C ATOM 1189 OG SER A 75 -0.549 9.484 -3.256 1.00 0.00 O ATOM 0 H SER A 75 -2.547 11.755 -1.494 1.00 0.00 H new ATOM 0 HA SER A 75 -2.440 9.049 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.274 7.857 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.472 8.726 -3.140 1.00 0.00 H new ATOM 0 HG SER A 75 -0.330 8.937 -4.039 1.00 0.00 H new ATOM 1195 N GLN A 76 0.380 9.507 -0.437 1.00 0.00 N ATOM 1196 CA GLN A 76 1.663 10.017 0.166 1.00 0.00 C ATOM 1197 C GLN A 76 2.660 10.317 -0.995 1.00 0.00 C ATOM 1198 O GLN A 76 2.931 9.436 -1.796 1.00 0.00 O ATOM 1199 CB GLN A 76 2.245 8.950 1.108 1.00 0.00 C ATOM 1200 CG GLN A 76 3.104 9.611 2.205 1.00 0.00 C ATOM 1201 CD GLN A 76 4.484 8.938 2.286 1.00 0.00 C ATOM 1202 OE1 GLN A 76 5.486 9.610 2.360 1.00 0.00 O ATOM 1203 NE2 GLN A 76 4.583 7.638 2.293 1.00 0.00 N ATOM 0 H GLN A 76 0.397 8.520 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 76 1.483 10.925 0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.436 8.379 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.851 8.245 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.223 10.673 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.598 9.534 3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.743 7.062 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.500 7.197 2.361 1.00 0.00 H new ATOM 1212 N PRO A 77 3.161 11.548 -1.081 1.00 0.00 N ATOM 1213 CA PRO A 77 4.093 11.960 -2.170 1.00 0.00 C ATOM 1214 C PRO A 77 5.544 11.460 -1.919 1.00 0.00 C ATOM 1215 O PRO A 77 6.465 12.243 -1.707 1.00 0.00 O ATOM 1216 CB PRO A 77 3.998 13.497 -2.146 1.00 0.00 C ATOM 1217 CG PRO A 77 3.507 13.888 -0.732 1.00 0.00 C ATOM 1218 CD PRO A 77 2.860 12.633 -0.119 1.00 0.00 C ATOM 0 HA PRO A 77 3.830 11.533 -3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.967 13.948 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 77 3.306 13.854 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.338 14.233 -0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.788 14.706 -0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.273 12.415 0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.785 12.763 0.008 1.00 0.00 H new ATOM 1226 N ARG A 78 5.746 10.154 -1.944 1.00 0.00 N ATOM 1227 CA ARG A 78 7.107 9.581 -1.711 1.00 0.00 C ATOM 1228 C ARG A 78 7.559 8.661 -2.874 1.00 0.00 C ATOM 1229 O ARG A 78 8.670 8.803 -3.361 1.00 0.00 O ATOM 1230 CB ARG A 78 7.094 8.802 -0.391 1.00 0.00 C ATOM 1231 CG ARG A 78 8.510 8.745 0.211 1.00 0.00 C ATOM 1232 CD ARG A 78 8.988 10.162 0.591 1.00 0.00 C ATOM 1233 NE ARG A 78 10.335 10.428 -0.017 1.00 0.00 N ATOM 1234 CZ ARG A 78 10.484 10.495 -1.307 1.00 0.00 C ATOM 1235 NH1 ARG A 78 9.970 11.486 -1.971 1.00 0.00 N ATOM 1236 NH2 ARG A 78 11.150 9.568 -1.919 1.00 0.00 N ATOM 0 H ARG A 78 5.016 9.463 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 78 7.823 10.401 -1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.411 9.278 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.723 7.791 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.512 8.104 1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.200 8.301 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.269 10.903 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.044 10.258 1.675 1.00 0.00 H new ATOM 0 HE ARG A 78 11.144 10.558 0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.449 12.213 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.088 11.537 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.552 8.795 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.273 9.611 -2.931 1.00 0.00 H new ATOM 1250 N GLY A 79 6.729 7.719 -3.305 1.00 0.00 N ATOM 1251 CA GLY A 79 7.141 6.783 -4.428 1.00 0.00 C ATOM 1252 C GLY A 79 5.927 6.160 -5.154 1.00 0.00 C ATOM 1253 O GLY A 79 5.944 6.036 -6.363 1.00 0.00 O ATOM 0 H GLY A 79 5.793 7.558 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.749 7.330 -5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.766 5.987 -4.023 1.00 0.00 H new ATOM 1257 N ASP A 80 4.901 5.750 -4.421 1.00 0.00 N ATOM 1258 CA ASP A 80 3.673 5.115 -5.029 1.00 0.00 C ATOM 1259 C ASP A 80 3.088 5.993 -6.199 1.00 0.00 C ATOM 1260 O ASP A 80 3.109 7.214 -6.119 1.00 0.00 O ATOM 1261 CB ASP A 80 2.660 4.930 -3.878 1.00 0.00 C ATOM 1262 CG ASP A 80 1.228 5.202 -4.323 1.00 0.00 C ATOM 1263 OD1 ASP A 80 0.595 4.290 -4.804 1.00 0.00 O ATOM 1264 OD2 ASP A 80 0.780 6.328 -4.167 1.00 0.00 O ATOM 0 H ASP A 80 4.866 5.832 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 80 3.913 4.154 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.732 3.913 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.918 5.600 -3.058 1.00 0.00 H new ATOM 1269 N PRO A 81 2.594 5.333 -7.255 1.00 0.00 N ATOM 1270 CA PRO A 81 2.019 6.018 -8.450 1.00 0.00 C ATOM 1271 C PRO A 81 0.502 6.396 -8.314 1.00 0.00 C ATOM 1272 O PRO A 81 -0.189 6.497 -9.323 1.00 0.00 O ATOM 1273 CB PRO A 81 2.203 4.964 -9.555 1.00 0.00 C ATOM 1274 CG PRO A 81 2.283 3.586 -8.850 1.00 0.00 C ATOM 1275 CD PRO A 81 2.594 3.855 -7.370 1.00 0.00 C ATOM 0 HA PRO A 81 2.508 6.975 -8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.370 4.991 -10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.110 5.159 -10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.343 3.045 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.059 2.967 -9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.844 3.406 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.558 3.434 -7.084 1.00 0.00 H new ATOM 1283 N THR A 82 -0.029 6.634 -7.119 1.00 0.00 N ATOM 1284 CA THR A 82 -1.470 7.028 -6.981 1.00 0.00 C ATOM 1285 C THR A 82 -1.544 8.494 -6.480 1.00 0.00 C ATOM 1286 O THR A 82 -0.710 9.306 -6.842 1.00 0.00 O ATOM 1287 CB THR A 82 -2.263 6.025 -6.075 1.00 0.00 C ATOM 1288 OG1 THR A 82 -1.980 6.241 -4.700 1.00 0.00 O ATOM 1289 CG2 THR A 82 -1.945 4.564 -6.447 1.00 0.00 C ATOM 0 H THR A 82 0.483 6.569 -6.239 1.00 0.00 H new ATOM 0 HA THR A 82 -1.959 6.977 -7.954 1.00 0.00 H new ATOM 0 HB THR A 82 -3.324 6.207 -6.248 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.016 6.373 -4.581 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.510 3.893 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.221 4.385 -7.486 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.879 4.379 -6.318 1.00 0.00 H new ATOM 1297 N GLY A 83 -2.549 8.850 -5.710 1.00 0.00 N ATOM 1298 CA GLY A 83 -2.725 10.264 -5.231 1.00 0.00 C ATOM 1299 C GLY A 83 -3.963 10.822 -5.934 1.00 0.00 C ATOM 1300 O GLY A 83 -5.046 10.752 -5.390 1.00 0.00 O ATOM 0 H GLY A 83 -3.271 8.206 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.850 10.292 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.845 10.863 -5.465 1.00 0.00 H new ATOM 1304 N PRO A 84 -3.790 11.275 -7.170 1.00 0.00 N ATOM 1305 CA PRO A 84 -4.892 11.761 -8.022 1.00 0.00 C ATOM 1306 C PRO A 84 -5.168 10.546 -8.942 1.00 0.00 C ATOM 1307 O PRO A 84 -5.029 10.608 -10.156 1.00 0.00 O ATOM 1308 CB PRO A 84 -4.209 12.919 -8.782 1.00 0.00 C ATOM 1309 CG PRO A 84 -2.677 12.602 -8.771 1.00 0.00 C ATOM 1310 CD PRO A 84 -2.491 11.364 -7.872 1.00 0.00 C ATOM 0 HA PRO A 84 -5.819 12.095 -7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.585 12.990 -9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.413 13.875 -8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -2.314 12.406 -9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.109 13.449 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.284 10.467 -8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.662 11.490 -7.176 1.00 0.00 H new ATOM 1318 N LYS A 85 -5.376 9.393 -8.317 1.00 0.00 N ATOM 1319 CA LYS A 85 -5.449 8.111 -9.066 1.00 0.00 C ATOM 1320 C LYS A 85 -6.096 6.979 -8.223 1.00 0.00 C ATOM 1321 O LYS A 85 -6.925 6.252 -8.729 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.967 7.764 -9.310 1.00 0.00 C ATOM 1323 CG LYS A 85 -3.735 7.047 -10.634 1.00 0.00 C ATOM 1324 CD LYS A 85 -3.961 5.546 -10.463 1.00 0.00 C ATOM 1325 CE LYS A 85 -2.906 4.991 -9.506 1.00 0.00 C ATOM 1326 NZ LYS A 85 -3.146 3.529 -9.304 1.00 0.00 N ATOM 0 H LYS A 85 -5.498 9.303 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.052 8.204 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.377 8.680 -9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.607 7.136 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.411 7.441 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.720 7.232 -10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.961 5.358 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.896 5.043 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.908 5.155 -9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.952 5.515 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.277 3.080 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.911 3.395 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.417 3.093 -10.209 1.00 0.00 H new ATOM 1340 N GLU A 86 -5.658 6.823 -6.959 1.00 0.00 N ATOM 1341 CA GLU A 86 -6.150 5.738 -6.007 1.00 0.00 C ATOM 1342 C GLU A 86 -5.973 4.294 -6.576 1.00 0.00 C ATOM 1343 O GLU A 86 -6.420 3.366 -5.925 1.00 0.00 O ATOM 1344 CB GLU A 86 -7.607 6.039 -5.539 1.00 0.00 C ATOM 1345 CG GLU A 86 -8.675 5.678 -6.603 1.00 0.00 C ATOM 1346 CD GLU A 86 -10.088 5.500 -5.988 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -10.260 5.664 -4.782 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -10.987 5.170 -6.746 1.00 0.00 O ATOM 1349 OXT GLU A 86 -5.324 4.121 -7.600 1.00 0.00 O ATOM 0 H GLU A 86 -4.953 7.432 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.511 5.764 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.811 5.482 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.692 7.097 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.708 6.461 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.383 4.757 -7.108 1.00 0.00 H new TER 1356 GLU A 86