USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 659 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 82 THR OG1 : rot -96:sc= -0.566! USER MOD Set 1.2: A 85 LYS NZ :NH3+ 137:sc= 1.78 (180deg=-1.74!) USER MOD Set 2.1: A 65 HIS : no HE2:sc= -1.09 K(o=-3.7,f=-5.1) USER MOD Set 2.2: A 66 GLN : amide:sc= -2.57! C(o=-3.7!,f=-8.1!) USER MOD Set 3.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 46 SER OG : rot 67:sc= 1.13 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.18) USER MOD Set 4.2: A 31 CYS SG : rot 180:sc= 0.0567 USER MOD Single : A 7 ASN : amide:sc= -7.84! C(o=-7.8!,f=-12!) USER MOD Single : A 12 ASN : amide:sc= -1.04 K(o=-1,f=-0.43) USER MOD Single : A 13 HIS : no HE2:sc= -11.6! C(o=-12!,f=-11!) USER MOD Single : A 16 SER OG : rot 80:sc= 0.0253 USER MOD Single : A 17 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.6) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 23 ASN : amide:sc= 0.731 K(o=0.73,f=-7.7!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.187 USER MOD Single : A 26 HIS : no HE2:sc= 0.649 K(o=0.65,f=-3.5!) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= 1.57 (180deg=0.113) USER MOD Single : A 30 CYS SG : rot 50:sc= 0.307 USER MOD Single : A 32 TYR OH : rot -68:sc= 0.857 USER MOD Single : A 33 HIS : no HE2:sc= -7.4! C(o=-7.4!,f=-12!) USER MOD Single : A 35 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.69) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0.751 (180deg=-0.352) USER MOD Single : A 41 LYS NZ :NH3+ 137:sc= 1.02 (180deg=-0.505) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.0058 USER MOD Single : A 50 LYS NZ :NH3+ 141:sc= 0.736 (180deg=-3.22!) USER MOD Single : A 51 LYS NZ :NH3+ -141:sc= 0.418 (180deg=0.011) USER MOD Single : A 54 GLN : amide:sc= 0.689 K(o=0.69,f=-5.8!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.524 USER MOD Single : A 60 GLN : amide:sc= -0.747 K(o=-0.75,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -0.747 K(o=-0.75,f=-2.1) USER MOD Single : A 64 THR OG1 : rot -55:sc= 1.02 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 0.515 (180deg=0.394) USER MOD Single : A 72 GLN : amide:sc= -0.333 K(o=-0.33,f=-4.9!) USER MOD Single : A 74 SER OG : rot -56:sc= 0.782 USER MOD Single : A 75 SER OG : rot -160:sc= -0.343 USER MOD Single : A 76 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A 3 -6.565 7.164 9.620 1.00 0.00 N ATOM 33 CA PRO A 3 -6.694 5.704 9.830 1.00 0.00 C ATOM 34 C PRO A 3 -5.410 4.917 9.438 1.00 0.00 C ATOM 35 O PRO A 3 -4.361 5.480 9.185 1.00 0.00 O ATOM 36 CB PRO A 3 -7.829 5.347 8.854 1.00 0.00 C ATOM 37 CG PRO A 3 -7.842 6.443 7.759 1.00 0.00 C ATOM 38 CD PRO A 3 -6.929 7.570 8.246 1.00 0.00 C ATOM 0 HA PRO A 3 -6.872 5.451 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.665 4.363 8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.787 5.308 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.488 6.043 6.809 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.855 6.811 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.048 7.672 7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.442 8.532 8.236 1.00 0.00 H new ATOM 46 N VAL A 4 -5.563 3.600 9.343 1.00 0.00 N ATOM 47 CA VAL A 4 -4.498 2.624 8.923 1.00 0.00 C ATOM 48 C VAL A 4 -3.098 2.912 9.489 1.00 0.00 C ATOM 49 O VAL A 4 -2.817 2.568 10.624 1.00 0.00 O ATOM 50 CB VAL A 4 -4.483 2.481 7.364 1.00 0.00 C ATOM 51 CG1 VAL A 4 -5.625 1.583 6.978 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.721 3.828 6.666 1.00 0.00 C ATOM 0 H VAL A 4 -6.449 3.143 9.557 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.771 1.668 9.370 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.510 2.091 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.643 1.462 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.497 0.609 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.564 2.026 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.703 3.686 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.691 4.226 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.938 4.530 6.953 1.00 0.00 H new ATOM 62 N ASP A 5 -2.209 3.435 8.657 1.00 0.00 N ATOM 63 CA ASP A 5 -0.793 3.678 9.017 1.00 0.00 C ATOM 64 C ASP A 5 0.014 2.326 9.258 1.00 0.00 C ATOM 65 O ASP A 5 1.058 2.360 9.884 1.00 0.00 O ATOM 66 CB ASP A 5 -0.817 4.679 10.188 1.00 0.00 C ATOM 67 CG ASP A 5 0.496 4.758 10.974 1.00 0.00 C ATOM 68 OD1 ASP A 5 1.448 5.308 10.439 1.00 0.00 O ATOM 69 OD2 ASP A 5 0.520 4.297 12.102 1.00 0.00 O ATOM 0 H ASP A 5 -2.438 3.710 7.702 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.224 4.122 8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.055 5.669 9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.620 4.403 10.871 1.00 0.00 H new ATOM 74 N PRO A 6 -0.392 1.154 8.673 1.00 0.00 N ATOM 75 CA PRO A 6 0.412 -0.073 8.811 1.00 0.00 C ATOM 76 C PRO A 6 1.376 -0.133 7.601 1.00 0.00 C ATOM 77 O PRO A 6 2.224 -1.001 7.528 1.00 0.00 O ATOM 78 CB PRO A 6 -0.606 -1.208 8.685 1.00 0.00 C ATOM 79 CG PRO A 6 -1.782 -0.636 7.864 1.00 0.00 C ATOM 80 CD PRO A 6 -1.601 0.892 7.828 1.00 0.00 C ATOM 0 HA PRO A 6 0.982 -0.123 9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.167 -2.073 8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.942 -1.542 9.667 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.785 -1.048 6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.736 -0.901 8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.456 1.249 6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.478 1.404 8.223 1.00 0.00 H new ATOM 88 N ASN A 7 1.206 0.774 6.624 1.00 0.00 N ATOM 89 CA ASN A 7 2.032 0.771 5.418 1.00 0.00 C ATOM 90 C ASN A 7 3.451 1.223 5.741 1.00 0.00 C ATOM 91 O ASN A 7 4.401 0.576 5.389 1.00 0.00 O ATOM 92 CB ASN A 7 1.421 1.762 4.344 1.00 0.00 C ATOM 93 CG ASN A 7 2.458 2.787 3.713 1.00 0.00 C ATOM 94 OD1 ASN A 7 2.124 3.930 3.517 1.00 0.00 O ATOM 95 ND2 ASN A 7 3.706 2.446 3.416 1.00 0.00 N ATOM 0 H ASN A 7 0.505 1.514 6.651 1.00 0.00 H new ATOM 0 HA ASN A 7 2.054 -0.245 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.978 1.175 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.613 2.326 4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.348 3.141 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.023 1.489 3.569 1.00 0.00 H new ATOM 102 N ILE A 8 3.529 2.459 6.184 1.00 0.00 N ATOM 103 CA ILE A 8 4.823 3.223 6.341 1.00 0.00 C ATOM 104 C ILE A 8 5.946 2.447 7.009 1.00 0.00 C ATOM 105 O ILE A 8 6.182 2.583 8.192 1.00 0.00 O ATOM 106 CB ILE A 8 4.589 4.603 6.987 1.00 0.00 C ATOM 107 CG1 ILE A 8 3.244 4.641 7.766 1.00 0.00 C ATOM 108 CG2 ILE A 8 4.609 5.630 5.850 1.00 0.00 C ATOM 109 CD1 ILE A 8 2.065 5.148 6.897 1.00 0.00 C ATOM 0 H ILE A 8 2.708 2.999 6.458 1.00 0.00 H new ATOM 0 HA ILE A 8 5.185 3.386 5.326 1.00 0.00 H new ATOM 0 HB ILE A 8 5.365 4.825 7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.014 3.642 8.136 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.352 5.286 8.638 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.447 6.628 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.575 5.596 5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.819 5.397 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.151 5.154 7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.278 6.159 6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.935 4.488 6.039 1.00 0.00 H new ATOM 121 N GLU A 9 6.634 1.659 6.168 1.00 0.00 N ATOM 122 CA GLU A 9 7.805 0.784 6.529 1.00 0.00 C ATOM 123 C GLU A 9 7.689 -0.536 5.727 1.00 0.00 C ATOM 124 O GLU A 9 8.431 -0.716 4.776 1.00 0.00 O ATOM 125 CB GLU A 9 7.843 0.452 8.006 1.00 0.00 C ATOM 126 CG GLU A 9 8.959 1.230 8.727 1.00 0.00 C ATOM 127 CD GLU A 9 10.343 0.827 8.182 1.00 0.00 C ATOM 128 OE1 GLU A 9 10.883 -0.151 8.667 1.00 0.00 O ATOM 129 OE2 GLU A 9 10.839 1.511 7.293 1.00 0.00 O ATOM 0 H GLU A 9 6.397 1.598 5.178 1.00 0.00 H new ATOM 0 HA GLU A 9 8.720 1.326 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.880 0.690 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.001 -0.619 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.808 2.301 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.913 1.033 9.798 1.00 0.00 H new ATOM 136 N PRO A 10 6.726 -1.423 6.090 1.00 0.00 N ATOM 137 CA PRO A 10 6.517 -2.694 5.360 1.00 0.00 C ATOM 138 C PRO A 10 6.003 -2.409 3.943 1.00 0.00 C ATOM 139 O PRO A 10 6.395 -3.084 3.007 1.00 0.00 O ATOM 140 CB PRO A 10 5.486 -3.446 6.199 1.00 0.00 C ATOM 141 CG PRO A 10 4.756 -2.384 7.027 1.00 0.00 C ATOM 142 CD PRO A 10 5.762 -1.246 7.218 1.00 0.00 C ATOM 0 HA PRO A 10 7.431 -3.274 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.789 -3.991 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.969 -4.179 6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.861 -2.034 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.435 -2.788 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.275 -0.272 7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.262 -1.313 8.184 1.00 0.00 H new ATOM 150 N TRP A 11 5.183 -1.371 3.759 1.00 0.00 N ATOM 151 CA TRP A 11 4.722 -1.018 2.378 1.00 0.00 C ATOM 152 C TRP A 11 5.696 0.037 1.760 1.00 0.00 C ATOM 153 O TRP A 11 5.275 0.941 1.060 1.00 0.00 O ATOM 154 CB TRP A 11 3.282 -0.499 2.404 1.00 0.00 C ATOM 155 CG TRP A 11 2.489 -1.232 1.380 1.00 0.00 C ATOM 156 CD1 TRP A 11 1.178 -1.440 1.464 1.00 0.00 C ATOM 157 CD2 TRP A 11 2.927 -1.861 0.140 1.00 0.00 C ATOM 158 NE1 TRP A 11 0.759 -2.135 0.350 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.803 -2.421 -0.486 1.00 0.00 C ATOM 160 CE3 TRP A 11 4.175 -1.995 -0.500 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.904 -3.083 -1.686 1.00 0.00 C ATOM 162 CZ3 TRP A 11 4.275 -2.671 -1.707 1.00 0.00 C ATOM 163 CH2 TRP A 11 3.138 -3.209 -2.293 1.00 0.00 C ATOM 0 H TRP A 11 4.827 -0.771 4.503 1.00 0.00 H new ATOM 0 HA TRP A 11 4.733 -1.912 1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.847 -0.643 3.393 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.263 0.572 2.201 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.543 -1.116 2.275 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.209 -2.403 0.171 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.059 -1.569 -0.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.024 -3.502 -2.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.235 -2.778 -2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.219 -3.732 -3.234 1.00 0.00 H new ATOM 174 N ASN A 12 7.011 -0.117 2.006 1.00 0.00 N ATOM 175 CA ASN A 12 8.097 0.785 1.437 1.00 0.00 C ATOM 176 C ASN A 12 8.414 2.056 2.273 1.00 0.00 C ATOM 177 O ASN A 12 9.564 2.478 2.260 1.00 0.00 O ATOM 178 CB ASN A 12 7.770 1.198 -0.019 1.00 0.00 C ATOM 179 CG ASN A 12 9.049 1.262 -0.857 1.00 0.00 C ATOM 180 OD1 ASN A 12 9.236 0.471 -1.750 1.00 0.00 O ATOM 181 ND2 ASN A 12 9.941 2.176 -0.619 1.00 0.00 N ATOM 0 H ASN A 12 7.377 -0.861 2.600 1.00 0.00 H new ATOM 0 HA ASN A 12 8.997 0.171 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.075 0.483 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.275 2.169 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.789 2.220 -1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.793 2.849 0.133 1.00 0.00 H new ATOM 188 N HIS A 13 7.450 2.717 2.943 1.00 0.00 N ATOM 189 CA HIS A 13 7.789 4.014 3.703 1.00 0.00 C ATOM 190 C HIS A 13 8.296 5.064 2.620 1.00 0.00 C ATOM 191 O HIS A 13 8.086 4.823 1.439 1.00 0.00 O ATOM 192 CB HIS A 13 8.899 3.676 4.748 1.00 0.00 C ATOM 193 CG HIS A 13 8.641 4.288 6.113 1.00 0.00 C ATOM 194 ND1 HIS A 13 9.428 3.972 7.199 1.00 0.00 N ATOM 195 CD2 HIS A 13 7.739 5.215 6.578 1.00 0.00 C ATOM 196 CE1 HIS A 13 8.994 4.692 8.250 1.00 0.00 C ATOM 197 NE2 HIS A 13 7.966 5.466 7.925 1.00 0.00 N ATOM 0 H HIS A 13 6.474 2.426 2.996 1.00 0.00 H new ATOM 0 HA HIS A 13 6.935 4.434 4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.975 2.594 4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.860 4.029 4.374 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.203 3.309 7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.967 5.680 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.429 4.646 9.237 1.00 0.00 H new ATOM 205 N PRO A 14 8.970 6.179 2.980 1.00 0.00 N ATOM 206 CA PRO A 14 9.489 7.134 1.951 1.00 0.00 C ATOM 207 C PRO A 14 10.811 6.633 1.282 1.00 0.00 C ATOM 208 O PRO A 14 11.424 7.370 0.523 1.00 0.00 O ATOM 209 CB PRO A 14 9.733 8.422 2.748 1.00 0.00 C ATOM 210 CG PRO A 14 9.910 8.001 4.220 1.00 0.00 C ATOM 211 CD PRO A 14 9.257 6.617 4.366 1.00 0.00 C ATOM 0 HA PRO A 14 8.791 7.260 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.620 8.941 2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.894 9.110 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.966 7.960 4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.440 8.723 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.924 5.918 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.344 6.672 4.959 1.00 0.00 H new ATOM 219 N GLY A 15 11.250 5.401 1.540 1.00 0.00 N ATOM 220 CA GLY A 15 12.520 4.877 0.911 1.00 0.00 C ATOM 221 C GLY A 15 12.988 3.587 1.612 1.00 0.00 C ATOM 222 O GLY A 15 13.261 2.601 0.956 1.00 0.00 O ATOM 0 H GLY A 15 10.779 4.742 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.352 4.680 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.301 5.634 0.974 1.00 0.00 H new ATOM 226 N SER A 16 13.087 3.606 2.939 1.00 0.00 N ATOM 227 CA SER A 16 13.543 2.397 3.742 1.00 0.00 C ATOM 228 C SER A 16 14.990 1.940 3.357 1.00 0.00 C ATOM 229 O SER A 16 15.341 0.787 3.532 1.00 0.00 O ATOM 230 CB SER A 16 12.539 1.241 3.552 1.00 0.00 C ATOM 231 OG SER A 16 12.548 0.411 4.713 1.00 0.00 O ATOM 0 H SER A 16 12.867 4.423 3.508 1.00 0.00 H new ATOM 0 HA SER A 16 13.574 2.686 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.538 1.638 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.803 0.656 2.671 1.00 0.00 H new ATOM 0 HG SER A 16 12.000 0.822 5.413 1.00 0.00 H new ATOM 237 N GLN A 17 15.834 2.858 2.866 1.00 0.00 N ATOM 238 CA GLN A 17 17.271 2.539 2.481 1.00 0.00 C ATOM 239 C GLN A 17 17.355 1.469 1.344 1.00 0.00 C ATOM 240 O GLN A 17 17.254 0.281 1.606 1.00 0.00 O ATOM 241 CB GLN A 17 18.056 2.067 3.727 1.00 0.00 C ATOM 242 CG GLN A 17 19.516 1.721 3.349 1.00 0.00 C ATOM 243 CD GLN A 17 20.129 0.782 4.396 1.00 0.00 C ATOM 244 OE1 GLN A 17 21.157 1.081 4.962 1.00 0.00 O ATOM 245 NE2 GLN A 17 19.558 -0.356 4.664 1.00 0.00 N ATOM 0 H GLN A 17 15.575 3.833 2.716 1.00 0.00 H new ATOM 0 HA GLN A 17 17.720 3.453 2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 17 18.046 2.848 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.570 1.193 4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 17 19.542 1.249 2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.107 2.634 3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 17 18.692 -0.616 4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 17 19.976 -0.988 5.346 1.00 0.00 H new ATOM 254 N PRO A 18 17.589 1.920 0.112 1.00 0.00 N ATOM 255 CA PRO A 18 17.735 1.010 -1.052 1.00 0.00 C ATOM 256 C PRO A 18 19.149 0.372 -1.048 1.00 0.00 C ATOM 257 O PRO A 18 20.091 0.914 -1.605 1.00 0.00 O ATOM 258 CB PRO A 18 17.522 1.938 -2.258 1.00 0.00 C ATOM 259 CG PRO A 18 17.845 3.371 -1.773 1.00 0.00 C ATOM 260 CD PRO A 18 17.719 3.359 -0.239 1.00 0.00 C ATOM 0 HA PRO A 18 17.035 0.174 -1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.171 1.653 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.496 1.873 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.850 3.665 -2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.156 4.092 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.593 3.806 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 18 16.851 3.929 0.093 1.00 0.00 H new ATOM 268 N LYS A 19 19.298 -0.772 -0.398 1.00 0.00 N ATOM 269 CA LYS A 19 20.643 -1.454 -0.320 1.00 0.00 C ATOM 270 C LYS A 19 20.775 -2.554 -1.414 1.00 0.00 C ATOM 271 O LYS A 19 21.154 -3.682 -1.137 1.00 0.00 O ATOM 272 CB LYS A 19 20.805 -2.055 1.095 1.00 0.00 C ATOM 273 CG LYS A 19 22.218 -1.778 1.620 1.00 0.00 C ATOM 274 CD LYS A 19 22.249 -1.974 3.145 1.00 0.00 C ATOM 275 CE LYS A 19 23.095 -0.874 3.800 1.00 0.00 C ATOM 276 NZ LYS A 19 24.546 -1.236 3.724 1.00 0.00 N ATOM 0 H LYS A 19 18.543 -1.262 0.082 1.00 0.00 H new ATOM 0 HA LYS A 19 21.435 -0.727 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 19 20.066 -1.624 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 20.622 -3.129 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.932 -2.449 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.518 -0.761 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.235 -1.950 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.662 -2.953 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.922 0.078 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.797 -0.745 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.114 -0.487 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.706 -2.135 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.827 -1.338 2.728 1.00 0.00 H new ATOM 290 N THR A 20 20.483 -2.217 -2.662 1.00 0.00 N ATOM 291 CA THR A 20 20.600 -3.218 -3.795 1.00 0.00 C ATOM 292 C THR A 20 20.625 -2.473 -5.150 1.00 0.00 C ATOM 293 O THR A 20 19.679 -1.791 -5.508 1.00 0.00 O ATOM 294 CB THR A 20 19.430 -4.243 -3.756 1.00 0.00 C ATOM 295 OG1 THR A 20 19.403 -5.001 -4.970 1.00 0.00 O ATOM 296 CG2 THR A 20 18.076 -3.540 -3.552 1.00 0.00 C ATOM 0 H THR A 20 20.168 -1.289 -2.946 1.00 0.00 H new ATOM 0 HA THR A 20 21.531 -3.772 -3.676 1.00 0.00 H new ATOM 0 HB THR A 20 19.597 -4.911 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 20 18.665 -5.645 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.280 -4.284 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.088 -2.993 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.900 -2.845 -4.373 1.00 0.00 H new ATOM 304 N ALA A 21 21.704 -2.605 -5.900 1.00 0.00 N ATOM 305 CA ALA A 21 21.814 -1.915 -7.234 1.00 0.00 C ATOM 306 C ALA A 21 21.680 -2.954 -8.378 1.00 0.00 C ATOM 307 O ALA A 21 22.586 -3.150 -9.175 1.00 0.00 O ATOM 308 CB ALA A 21 23.168 -1.185 -7.302 1.00 0.00 C ATOM 0 H ALA A 21 22.517 -3.165 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 21 21.012 -1.186 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 21 23.261 -0.680 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 21 23.226 -0.450 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 21 23.977 -1.907 -7.191 1.00 0.00 H new ATOM 314 N CYS A 22 20.537 -3.619 -8.460 1.00 0.00 N ATOM 315 CA CYS A 22 20.309 -4.656 -9.540 1.00 0.00 C ATOM 316 C CYS A 22 19.602 -4.050 -10.796 1.00 0.00 C ATOM 317 O CYS A 22 19.148 -4.786 -11.664 1.00 0.00 O ATOM 318 CB CYS A 22 19.449 -5.790 -8.953 1.00 0.00 C ATOM 319 SG CYS A 22 19.916 -7.366 -9.712 1.00 0.00 S ATOM 0 H CYS A 22 19.751 -3.488 -7.824 1.00 0.00 H new ATOM 0 HA CYS A 22 21.277 -5.034 -9.868 1.00 0.00 H new ATOM 0 HB2 CYS A 22 19.586 -5.841 -7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.393 -5.588 -9.132 1.00 0.00 H new ATOM 0 HG CYS A 22 19.189 -8.321 -9.212 1.00 0.00 H new ATOM 325 N ASN A 23 19.508 -2.730 -10.910 1.00 0.00 N ATOM 326 CA ASN A 23 18.833 -2.097 -12.104 1.00 0.00 C ATOM 327 C ASN A 23 19.848 -1.812 -13.239 1.00 0.00 C ATOM 328 O ASN A 23 19.658 -2.290 -14.348 1.00 0.00 O ATOM 329 CB ASN A 23 18.083 -0.794 -11.692 1.00 0.00 C ATOM 330 CG ASN A 23 18.959 0.190 -10.872 1.00 0.00 C ATOM 331 OD1 ASN A 23 20.033 -0.139 -10.411 1.00 0.00 O ATOM 332 ND2 ASN A 23 18.535 1.398 -10.666 1.00 0.00 N ATOM 0 H ASN A 23 19.871 -2.067 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 23 18.099 -2.807 -12.485 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.727 -0.289 -12.590 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.203 -1.060 -11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.101 2.052 -10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.635 1.694 -11.045 1.00 0.00 H new ATOM 339 N ARG A 24 20.912 -1.052 -12.966 1.00 0.00 N ATOM 340 CA ARG A 24 21.968 -0.704 -13.998 1.00 0.00 C ATOM 341 C ARG A 24 21.396 0.270 -15.065 1.00 0.00 C ATOM 342 O ARG A 24 21.728 1.442 -15.061 1.00 0.00 O ATOM 343 CB ARG A 24 22.528 -1.988 -14.649 1.00 0.00 C ATOM 344 CG ARG A 24 23.888 -1.691 -15.292 1.00 0.00 C ATOM 345 CD ARG A 24 24.176 -2.723 -16.385 1.00 0.00 C ATOM 346 NE ARG A 24 25.425 -3.472 -16.039 1.00 0.00 N ATOM 347 CZ ARG A 24 26.496 -3.332 -16.755 1.00 0.00 C ATOM 348 NH1 ARG A 24 27.332 -2.378 -16.485 1.00 0.00 N ATOM 349 NH2 ARG A 24 26.724 -4.148 -17.738 1.00 0.00 N ATOM 0 H ARG A 24 21.091 -0.651 -12.045 1.00 0.00 H new ATOM 0 HA ARG A 24 22.791 -0.195 -13.496 1.00 0.00 H new ATOM 0 HB2 ARG A 24 22.633 -2.772 -13.899 1.00 0.00 H new ATOM 0 HB3 ARG A 24 21.832 -2.359 -15.402 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.889 -0.687 -15.716 1.00 0.00 H new ATOM 0 HG3 ARG A 24 24.673 -1.719 -14.536 1.00 0.00 H new ATOM 0 HD2 ARG A 24 23.338 -3.414 -16.479 1.00 0.00 H new ATOM 0 HD3 ARG A 24 24.290 -2.227 -17.349 1.00 0.00 H new ATOM 0 HE ARG A 24 25.433 -4.097 -15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 24 27.146 -1.740 -15.711 1.00 0.00 H new ATOM 0 HH12 ARG A 24 28.176 -2.265 -17.047 1.00 0.00 H new ATOM 0 HH21 ARG A 24 26.062 -4.896 -17.944 1.00 0.00 H new ATOM 0 HH22 ARG A 24 27.566 -4.042 -18.304 1.00 0.00 H new ATOM 363 N CYS A 25 20.536 -0.201 -15.954 1.00 0.00 N ATOM 364 CA CYS A 25 19.924 0.691 -17.007 1.00 0.00 C ATOM 365 C CYS A 25 18.475 0.236 -17.319 1.00 0.00 C ATOM 366 O CYS A 25 17.571 1.051 -17.341 1.00 0.00 O ATOM 367 CB CYS A 25 20.792 0.700 -18.288 1.00 0.00 C ATOM 368 SG CYS A 25 21.152 -0.986 -18.853 1.00 0.00 S ATOM 0 H CYS A 25 20.231 -1.173 -15.994 1.00 0.00 H new ATOM 0 HA CYS A 25 19.887 1.710 -16.622 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.275 1.247 -19.076 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.726 1.228 -18.093 1.00 0.00 H new ATOM 0 HG CYS A 25 21.879 -0.937 -19.929 1.00 0.00 H new ATOM 374 N HIS A 26 18.247 -1.055 -17.540 1.00 0.00 N ATOM 375 CA HIS A 26 16.857 -1.563 -17.829 1.00 0.00 C ATOM 376 C HIS A 26 16.093 -1.825 -16.503 1.00 0.00 C ATOM 377 O HIS A 26 16.692 -2.097 -15.467 1.00 0.00 O ATOM 378 CB HIS A 26 16.950 -2.865 -18.649 1.00 0.00 C ATOM 379 CG HIS A 26 15.621 -3.158 -19.299 1.00 0.00 C ATOM 380 ND1 HIS A 26 14.612 -3.851 -18.647 1.00 0.00 N ATOM 381 CD2 HIS A 26 15.115 -2.836 -20.533 1.00 0.00 C ATOM 382 CE1 HIS A 26 13.561 -3.918 -19.484 1.00 0.00 C ATOM 383 NE2 HIS A 26 13.815 -3.315 -20.647 1.00 0.00 N ATOM 0 H HIS A 26 18.970 -1.775 -17.531 1.00 0.00 H new ATOM 0 HA HIS A 26 16.312 -0.811 -18.400 1.00 0.00 H new ATOM 0 HB2 HIS A 26 17.724 -2.771 -19.410 1.00 0.00 H new ATOM 0 HB3 HIS A 26 17.238 -3.693 -18.002 1.00 0.00 H new ATOM 0 HD1 HIS A 26 14.658 -4.239 -17.705 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.647 -2.292 -21.300 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.625 -4.401 -19.244 1.00 0.00 H new ATOM 391 N CYS A 27 14.772 -1.756 -16.542 1.00 0.00 N ATOM 392 CA CYS A 27 13.931 -2.001 -15.313 1.00 0.00 C ATOM 393 C CYS A 27 13.719 -3.513 -15.077 1.00 0.00 C ATOM 394 O CYS A 27 14.049 -4.343 -15.915 1.00 0.00 O ATOM 395 CB CYS A 27 12.565 -1.316 -15.492 1.00 0.00 C ATOM 396 SG CYS A 27 12.697 0.434 -15.042 1.00 0.00 S ATOM 0 H CYS A 27 14.237 -1.538 -17.383 1.00 0.00 H new ATOM 0 HA CYS A 27 14.451 -1.588 -14.448 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.232 -1.412 -16.525 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.817 -1.806 -14.869 1.00 0.00 H new ATOM 0 HG CYS A 27 11.542 1.010 -15.197 1.00 0.00 H new ATOM 402 N LYS A 28 13.168 -3.869 -13.930 1.00 0.00 N ATOM 403 CA LYS A 28 12.912 -5.314 -13.605 1.00 0.00 C ATOM 404 C LYS A 28 11.448 -5.512 -13.166 1.00 0.00 C ATOM 405 O LYS A 28 10.814 -4.607 -12.646 1.00 0.00 O ATOM 406 CB LYS A 28 13.864 -5.771 -12.486 1.00 0.00 C ATOM 407 CG LYS A 28 15.182 -6.266 -13.101 1.00 0.00 C ATOM 408 CD LYS A 28 16.179 -5.102 -13.237 1.00 0.00 C ATOM 409 CE LYS A 28 16.910 -5.198 -14.587 1.00 0.00 C ATOM 410 NZ LYS A 28 18.351 -4.823 -14.425 1.00 0.00 N ATOM 0 H LYS A 28 12.884 -3.213 -13.202 1.00 0.00 H new ATOM 0 HA LYS A 28 13.092 -5.914 -14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.058 -4.946 -11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.401 -6.567 -11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.611 -7.050 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.992 -6.707 -14.080 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.653 -4.150 -13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.900 -5.131 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.833 -6.212 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.435 -4.539 -15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.930 -5.377 -15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.470 -3.809 -14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.654 -5.022 -13.450 1.00 0.00 H new ATOM 424 N LYS A 29 10.921 -6.704 -13.383 1.00 0.00 N ATOM 425 CA LYS A 29 9.500 -7.027 -13.003 1.00 0.00 C ATOM 426 C LYS A 29 9.364 -7.051 -11.459 1.00 0.00 C ATOM 427 O LYS A 29 9.606 -8.064 -10.813 1.00 0.00 O ATOM 428 CB LYS A 29 9.137 -8.397 -13.616 1.00 0.00 C ATOM 429 CG LYS A 29 7.621 -8.647 -13.536 1.00 0.00 C ATOM 430 CD LYS A 29 7.340 -9.911 -12.698 1.00 0.00 C ATOM 431 CE LYS A 29 6.516 -9.547 -11.451 1.00 0.00 C ATOM 432 NZ LYS A 29 7.367 -9.629 -10.218 1.00 0.00 N ATOM 0 H LYS A 29 11.426 -7.478 -13.815 1.00 0.00 H new ATOM 0 HA LYS A 29 8.816 -6.269 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.462 -8.433 -14.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.669 -9.189 -13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.125 -7.786 -13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.210 -8.766 -14.538 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.800 -10.643 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.280 -10.375 -12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.112 -8.540 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.666 -10.223 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.821 -9.299 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.662 -10.614 -10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.209 -9.030 -10.337 1.00 0.00 H new ATOM 446 N CYS A 30 8.987 -5.930 -10.874 1.00 0.00 N ATOM 447 CA CYS A 30 8.835 -5.832 -9.374 1.00 0.00 C ATOM 448 C CYS A 30 7.474 -6.416 -8.919 1.00 0.00 C ATOM 449 O CYS A 30 6.643 -6.789 -9.737 1.00 0.00 O ATOM 450 CB CYS A 30 8.946 -4.357 -8.956 1.00 0.00 C ATOM 451 SG CYS A 30 10.585 -3.716 -9.396 1.00 0.00 S ATOM 0 H CYS A 30 8.775 -5.068 -11.377 1.00 0.00 H new ATOM 0 HA CYS A 30 9.625 -6.412 -8.896 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.171 -3.770 -9.450 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.784 -4.260 -7.882 1.00 0.00 H new ATOM 0 HG CYS A 30 10.844 -4.002 -10.637 1.00 0.00 H new ATOM 457 N CYS A 31 7.251 -6.521 -7.618 1.00 0.00 N ATOM 458 CA CYS A 31 5.954 -7.094 -7.092 1.00 0.00 C ATOM 459 C CYS A 31 5.092 -5.987 -6.444 1.00 0.00 C ATOM 460 O CYS A 31 5.596 -4.951 -6.033 1.00 0.00 O ATOM 461 CB CYS A 31 6.253 -8.183 -6.046 1.00 0.00 C ATOM 462 SG CYS A 31 7.307 -9.470 -6.769 1.00 0.00 S ATOM 0 H CYS A 31 7.913 -6.234 -6.897 1.00 0.00 H new ATOM 0 HA CYS A 31 5.404 -7.526 -7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.747 -7.741 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.321 -8.623 -5.691 1.00 0.00 H new ATOM 0 HG CYS A 31 7.553 -10.382 -5.876 1.00 0.00 H new ATOM 468 N TYR A 32 3.796 -6.222 -6.337 1.00 0.00 N ATOM 469 CA TYR A 32 2.865 -5.223 -5.706 1.00 0.00 C ATOM 470 C TYR A 32 2.422 -5.763 -4.312 1.00 0.00 C ATOM 471 O TYR A 32 3.219 -6.374 -3.613 1.00 0.00 O ATOM 472 CB TYR A 32 1.666 -5.000 -6.669 1.00 0.00 C ATOM 473 CG TYR A 32 1.451 -3.515 -6.920 1.00 0.00 C ATOM 474 CD1 TYR A 32 1.334 -2.613 -5.848 1.00 0.00 C ATOM 475 CD2 TYR A 32 1.377 -3.039 -8.235 1.00 0.00 C ATOM 476 CE1 TYR A 32 1.150 -1.248 -6.101 1.00 0.00 C ATOM 477 CE2 TYR A 32 1.188 -1.673 -8.481 1.00 0.00 C ATOM 478 CZ TYR A 32 1.076 -0.779 -7.414 1.00 0.00 C ATOM 479 OH TYR A 32 0.906 0.566 -7.658 1.00 0.00 O ATOM 0 H TYR A 32 3.342 -7.074 -6.665 1.00 0.00 H new ATOM 0 HA TYR A 32 3.350 -4.260 -5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.851 -5.511 -7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.763 -5.437 -6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.386 -2.972 -4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.466 -3.728 -9.062 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.065 -0.555 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.129 -1.311 -9.497 1.00 0.00 H new ATOM 0 HH TYR A 32 0.009 0.839 -7.373 1.00 0.00 H new ATOM 489 N HIS A 33 1.180 -5.540 -3.886 1.00 0.00 N ATOM 490 CA HIS A 33 0.721 -6.045 -2.539 1.00 0.00 C ATOM 491 C HIS A 33 0.519 -7.592 -2.578 1.00 0.00 C ATOM 492 O HIS A 33 0.991 -8.249 -3.492 1.00 0.00 O ATOM 493 CB HIS A 33 -0.565 -5.303 -2.153 1.00 0.00 C ATOM 494 CG HIS A 33 -0.635 -5.053 -0.667 1.00 0.00 C ATOM 495 ND1 HIS A 33 -1.593 -4.230 -0.119 1.00 0.00 N ATOM 496 CD2 HIS A 33 0.110 -5.508 0.389 1.00 0.00 C ATOM 497 CE1 HIS A 33 -1.407 -4.213 1.207 1.00 0.00 C ATOM 498 NE2 HIS A 33 -0.380 -4.976 1.569 1.00 0.00 N ATOM 0 H HIS A 33 0.472 -5.031 -4.416 1.00 0.00 H new ATOM 0 HA HIS A 33 1.478 -5.848 -1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.612 -4.353 -2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.431 -5.887 -2.466 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.315 -3.724 -0.631 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.952 -6.180 0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.016 -3.649 1.898 1.00 0.00 H new ATOM 506 N CYS A 34 -0.110 -8.184 -1.549 1.00 0.00 N ATOM 507 CA CYS A 34 -0.282 -9.695 -1.447 1.00 0.00 C ATOM 508 C CYS A 34 1.076 -10.384 -1.079 1.00 0.00 C ATOM 509 O CYS A 34 1.119 -11.579 -0.830 1.00 0.00 O ATOM 510 CB CYS A 34 -0.855 -10.289 -2.751 1.00 0.00 C ATOM 511 SG CYS A 34 -2.463 -9.530 -3.115 1.00 0.00 S ATOM 0 H CYS A 34 -0.515 -7.669 -0.767 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.999 -9.891 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.164 -10.114 -3.576 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.966 -11.369 -2.652 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.941 -10.032 -4.215 1.00 0.00 H new ATOM 517 N GLN A 35 2.175 -9.630 -1.030 1.00 0.00 N ATOM 518 CA GLN A 35 3.528 -10.179 -0.672 1.00 0.00 C ATOM 519 C GLN A 35 4.283 -9.133 0.220 1.00 0.00 C ATOM 520 O GLN A 35 5.503 -9.151 0.307 1.00 0.00 O ATOM 521 CB GLN A 35 4.343 -10.431 -1.972 1.00 0.00 C ATOM 522 CG GLN A 35 3.444 -10.986 -3.101 1.00 0.00 C ATOM 523 CD GLN A 35 4.298 -11.415 -4.299 1.00 0.00 C ATOM 524 OE1 GLN A 35 4.259 -10.796 -5.339 1.00 0.00 O ATOM 525 NE2 GLN A 35 5.070 -12.457 -4.204 1.00 0.00 N ATOM 0 H GLN A 35 2.177 -8.630 -1.231 1.00 0.00 H new ATOM 0 HA GLN A 35 3.414 -11.116 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.807 -9.501 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.149 -11.135 -1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.869 -11.836 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.727 -10.226 -3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.109 -12.985 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.636 -12.747 -5.001 1.00 0.00 H new ATOM 534 N VAL A 36 3.563 -8.224 0.879 1.00 0.00 N ATOM 535 CA VAL A 36 4.201 -7.158 1.745 1.00 0.00 C ATOM 536 C VAL A 36 4.596 -7.732 3.146 1.00 0.00 C ATOM 537 O VAL A 36 4.410 -8.905 3.407 1.00 0.00 O ATOM 538 CB VAL A 36 3.188 -5.982 1.844 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.118 -6.262 2.905 1.00 0.00 C ATOM 540 CG2 VAL A 36 3.908 -4.670 2.166 1.00 0.00 C ATOM 0 H VAL A 36 2.544 -8.181 0.848 1.00 0.00 H new ATOM 0 HA VAL A 36 5.132 -6.801 1.305 1.00 0.00 H new ATOM 0 HB VAL A 36 2.699 -5.888 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.424 -5.423 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.574 -7.169 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.595 -6.393 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.180 -3.862 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.429 -4.765 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.628 -4.448 1.379 1.00 0.00 H new ATOM 550 N CYS A 37 5.163 -6.916 4.031 1.00 0.00 N ATOM 551 CA CYS A 37 5.590 -7.419 5.395 1.00 0.00 C ATOM 552 C CYS A 37 4.406 -7.426 6.391 1.00 0.00 C ATOM 553 O CYS A 37 4.169 -8.428 7.042 1.00 0.00 O ATOM 554 CB CYS A 37 6.723 -6.538 5.947 1.00 0.00 C ATOM 555 SG CYS A 37 7.982 -7.587 6.720 1.00 0.00 S ATOM 0 H CYS A 37 5.347 -5.927 3.865 1.00 0.00 H new ATOM 0 HA CYS A 37 5.943 -8.444 5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.167 -5.952 5.143 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.326 -5.831 6.675 1.00 0.00 H new ATOM 0 HG CYS A 37 8.941 -6.843 7.185 1.00 0.00 H new ATOM 561 N PHE A 38 3.663 -6.328 6.515 1.00 0.00 N ATOM 562 CA PHE A 38 2.497 -6.293 7.472 1.00 0.00 C ATOM 563 C PHE A 38 1.401 -7.233 6.943 1.00 0.00 C ATOM 564 O PHE A 38 0.885 -7.012 5.873 1.00 0.00 O ATOM 565 CB PHE A 38 1.959 -4.829 7.670 1.00 0.00 C ATOM 566 CG PHE A 38 1.112 -4.336 6.492 1.00 0.00 C ATOM 567 CD1 PHE A 38 1.738 -3.923 5.314 1.00 0.00 C ATOM 568 CD2 PHE A 38 -0.296 -4.296 6.575 1.00 0.00 C ATOM 569 CE1 PHE A 38 0.989 -3.480 4.231 1.00 0.00 C ATOM 570 CE2 PHE A 38 -1.037 -3.847 5.482 1.00 0.00 C ATOM 571 CZ PHE A 38 -0.399 -3.441 4.313 1.00 0.00 C ATOM 0 H PHE A 38 3.818 -5.464 5.995 1.00 0.00 H new ATOM 0 HA PHE A 38 2.822 -6.635 8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.362 -4.788 8.581 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.803 -4.154 7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.815 -3.948 5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.797 -4.611 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.485 -3.166 3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.115 -3.814 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.981 -3.096 3.471 1.00 0.00 H new ATOM 581 N ILE A 39 1.080 -8.293 7.681 1.00 0.00 N ATOM 582 CA ILE A 39 0.011 -9.313 7.268 1.00 0.00 C ATOM 583 C ILE A 39 0.421 -10.121 5.991 1.00 0.00 C ATOM 584 O ILE A 39 0.314 -11.339 5.996 1.00 0.00 O ATOM 585 CB ILE A 39 -1.408 -8.631 7.126 1.00 0.00 C ATOM 586 CG1 ILE A 39 -1.680 -8.130 5.705 1.00 0.00 C ATOM 587 CG2 ILE A 39 -1.517 -7.450 8.097 1.00 0.00 C ATOM 588 CD1 ILE A 39 -2.599 -9.081 4.975 1.00 0.00 C ATOM 0 H ILE A 39 1.522 -8.504 8.576 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.066 -10.046 8.071 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.151 -9.394 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.130 -7.138 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.740 -8.034 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.497 -6.984 7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.390 -7.806 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.742 -6.719 7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.781 -8.709 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.135 -10.066 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.545 -9.156 5.511 1.00 0.00 H new ATOM 600 N LYS A 40 0.875 -9.462 4.918 1.00 0.00 N ATOM 601 CA LYS A 40 1.298 -10.120 3.626 1.00 0.00 C ATOM 602 C LYS A 40 0.097 -10.724 2.840 1.00 0.00 C ATOM 603 O LYS A 40 -0.033 -10.474 1.660 1.00 0.00 O ATOM 604 CB LYS A 40 2.364 -11.198 3.901 1.00 0.00 C ATOM 605 CG LYS A 40 3.043 -11.619 2.590 1.00 0.00 C ATOM 606 CD LYS A 40 4.199 -12.587 2.895 1.00 0.00 C ATOM 607 CE LYS A 40 5.495 -11.804 3.160 1.00 0.00 C ATOM 608 NZ LYS A 40 6.121 -11.370 1.868 1.00 0.00 N ATOM 0 H LYS A 40 0.969 -8.447 4.898 1.00 0.00 H new ATOM 0 HA LYS A 40 1.727 -9.342 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.109 -10.814 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.902 -12.064 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.319 -12.098 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.419 -10.741 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.951 -13.198 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.343 -13.268 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.280 -10.932 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.194 -12.426 3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.153 -11.480 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.755 -11.956 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.889 -10.372 1.688 1.00 0.00 H new ATOM 622 N LYS A 41 -0.748 -11.528 3.477 1.00 0.00 N ATOM 623 CA LYS A 41 -1.932 -12.179 2.785 1.00 0.00 C ATOM 624 C LYS A 41 -2.921 -11.129 2.196 1.00 0.00 C ATOM 625 O LYS A 41 -2.696 -9.939 2.256 1.00 0.00 O ATOM 626 CB LYS A 41 -2.671 -13.110 3.803 1.00 0.00 C ATOM 627 CG LYS A 41 -3.637 -12.319 4.739 1.00 0.00 C ATOM 628 CD LYS A 41 -2.894 -11.820 5.996 1.00 0.00 C ATOM 629 CE LYS A 41 -2.665 -12.943 7.006 1.00 0.00 C ATOM 630 NZ LYS A 41 -1.249 -13.449 6.923 1.00 0.00 N ATOM 0 H LYS A 41 -0.664 -11.764 4.466 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.555 -12.764 1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.236 -13.865 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.935 -13.639 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.060 -11.471 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.470 -12.957 5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.935 -11.393 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.469 -11.022 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.869 -12.581 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.361 -13.760 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.873 -13.588 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.233 -14.354 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.661 -12.755 6.419 1.00 0.00 H new ATOM 644 N GLY A 42 -4.035 -11.588 1.654 1.00 0.00 N ATOM 645 CA GLY A 42 -5.075 -10.659 1.087 1.00 0.00 C ATOM 646 C GLY A 42 -6.410 -10.748 1.875 1.00 0.00 C ATOM 647 O GLY A 42 -7.337 -10.071 1.506 1.00 0.00 O ATOM 0 H GLY A 42 -4.268 -12.578 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.703 -9.635 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.252 -10.906 0.040 1.00 0.00 H new ATOM 651 N LEU A 43 -6.488 -11.571 2.956 1.00 0.00 N ATOM 652 CA LEU A 43 -7.740 -11.747 3.836 1.00 0.00 C ATOM 653 C LEU A 43 -8.846 -10.691 3.573 1.00 0.00 C ATOM 654 O LEU A 43 -9.692 -10.903 2.723 1.00 0.00 O ATOM 655 CB LEU A 43 -7.368 -11.782 5.362 1.00 0.00 C ATOM 656 CG LEU A 43 -6.201 -10.830 5.835 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.797 -9.714 4.845 1.00 0.00 C ATOM 658 CD2 LEU A 43 -6.612 -10.161 7.145 1.00 0.00 C ATOM 0 H LEU A 43 -5.702 -12.142 3.265 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.160 -12.711 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.262 -11.534 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.097 -12.805 5.622 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.331 -11.479 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.988 -9.123 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.463 -10.161 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.655 -9.070 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.813 -9.500 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.521 -9.581 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.795 -10.924 7.901 1.00 0.00 H new ATOM 670 N GLY A 44 -8.842 -9.561 4.271 1.00 0.00 N ATOM 671 CA GLY A 44 -9.852 -8.495 4.024 1.00 0.00 C ATOM 672 C GLY A 44 -9.581 -7.889 2.640 1.00 0.00 C ATOM 673 O GLY A 44 -10.420 -7.900 1.765 1.00 0.00 O ATOM 0 H GLY A 44 -8.168 -9.345 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.860 -8.909 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.790 -7.726 4.794 1.00 0.00 H new ATOM 677 N ILE A 45 -8.373 -7.423 2.466 1.00 0.00 N ATOM 678 CA ILE A 45 -7.885 -6.850 1.159 1.00 0.00 C ATOM 679 C ILE A 45 -6.356 -7.129 1.068 1.00 0.00 C ATOM 680 O ILE A 45 -5.873 -7.594 0.055 1.00 0.00 O ATOM 681 CB ILE A 45 -8.191 -5.325 1.027 1.00 0.00 C ATOM 682 CG1 ILE A 45 -7.664 -4.534 2.229 1.00 0.00 C ATOM 683 CG2 ILE A 45 -9.703 -5.099 0.925 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.265 -4.002 1.935 1.00 0.00 C ATOM 0 H ILE A 45 -7.669 -7.413 3.204 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.413 -7.327 0.333 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.689 -4.973 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.337 -3.706 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.640 -5.172 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.906 -4.032 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.090 -5.619 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.190 -5.485 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.900 -3.442 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.593 -4.837 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.300 -3.347 1.064 1.00 0.00 H new ATOM 696 N SER A 46 -5.629 -6.866 2.166 1.00 0.00 N ATOM 697 CA SER A 46 -4.137 -7.096 2.305 1.00 0.00 C ATOM 698 C SER A 46 -3.653 -6.249 3.515 1.00 0.00 C ATOM 699 O SER A 46 -2.894 -5.310 3.380 1.00 0.00 O ATOM 700 CB SER A 46 -3.371 -6.673 1.052 1.00 0.00 C ATOM 701 OG SER A 46 -3.255 -7.771 0.148 1.00 0.00 O ATOM 0 H SER A 46 -6.047 -6.479 3.012 1.00 0.00 H new ATOM 0 HA SER A 46 -3.950 -8.160 2.450 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.886 -5.845 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.379 -6.314 1.328 1.00 0.00 H new ATOM 0 HG SER A 46 -4.142 -8.009 -0.193 1.00 0.00 H new ATOM 707 N TYR A 47 -4.150 -6.556 4.697 1.00 0.00 N ATOM 708 CA TYR A 47 -3.807 -5.777 5.935 1.00 0.00 C ATOM 709 C TYR A 47 -4.373 -6.495 7.194 1.00 0.00 C ATOM 710 O TYR A 47 -4.723 -7.664 7.143 1.00 0.00 O ATOM 711 CB TYR A 47 -4.402 -4.365 5.782 1.00 0.00 C ATOM 712 CG TYR A 47 -5.915 -4.361 5.592 1.00 0.00 C ATOM 713 CD1 TYR A 47 -6.695 -5.532 5.610 1.00 0.00 C ATOM 714 CD2 TYR A 47 -6.512 -3.142 5.369 1.00 0.00 C ATOM 715 CE1 TYR A 47 -8.074 -5.454 5.403 1.00 0.00 C ATOM 716 CE2 TYR A 47 -7.894 -3.060 5.162 1.00 0.00 C ATOM 717 CZ TYR A 47 -8.676 -4.216 5.177 1.00 0.00 C ATOM 718 OH TYR A 47 -10.040 -4.132 4.973 1.00 0.00 O ATOM 0 H TYR A 47 -4.793 -7.332 4.856 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.727 -5.707 6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.153 -3.777 6.665 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.935 -3.873 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.228 -6.490 5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.912 -2.244 5.354 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.674 -6.352 5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.357 -2.099 4.990 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.293 -3.196 4.832 1.00 0.00 H new ATOM 728 N GLY A 48 -4.504 -5.793 8.300 1.00 0.00 N ATOM 729 CA GLY A 48 -5.088 -6.400 9.556 1.00 0.00 C ATOM 730 C GLY A 48 -6.604 -6.128 9.596 1.00 0.00 C ATOM 731 O GLY A 48 -7.129 -5.667 10.597 1.00 0.00 O ATOM 0 H GLY A 48 -4.230 -4.815 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.899 -7.473 9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.607 -5.974 10.437 1.00 0.00 H new ATOM 735 N ARG A 49 -7.296 -6.409 8.494 1.00 0.00 N ATOM 736 CA ARG A 49 -8.794 -6.199 8.349 1.00 0.00 C ATOM 737 C ARG A 49 -9.276 -4.708 8.469 1.00 0.00 C ATOM 738 O ARG A 49 -10.427 -4.433 8.159 1.00 0.00 O ATOM 739 CB ARG A 49 -9.525 -7.044 9.391 1.00 0.00 C ATOM 740 CG ARG A 49 -10.594 -7.910 8.707 1.00 0.00 C ATOM 741 CD ARG A 49 -9.955 -9.204 8.185 1.00 0.00 C ATOM 742 NE ARG A 49 -10.960 -9.973 7.374 1.00 0.00 N ATOM 743 CZ ARG A 49 -11.785 -10.802 7.948 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.908 -10.369 8.436 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.482 -12.063 8.019 1.00 0.00 N ATOM 0 H ARG A 49 -6.861 -6.792 7.655 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.033 -6.506 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.814 -7.679 9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.990 -6.397 10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.391 -8.145 9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.049 -7.360 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.083 -8.970 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.606 -9.811 9.020 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.997 -9.844 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.145 -9.379 8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.553 -11.019 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.602 -12.399 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.124 -12.717 8.467 1.00 0.00 H new ATOM 759 N LYS A 50 -8.450 -3.766 8.942 1.00 0.00 N ATOM 760 CA LYS A 50 -8.869 -2.314 9.130 1.00 0.00 C ATOM 761 C LYS A 50 -9.849 -2.135 10.334 1.00 0.00 C ATOM 762 O LYS A 50 -10.154 -1.010 10.687 1.00 0.00 O ATOM 763 CB LYS A 50 -9.510 -1.738 7.847 1.00 0.00 C ATOM 764 CG LYS A 50 -9.102 -0.257 7.691 1.00 0.00 C ATOM 765 CD LYS A 50 -8.810 0.080 6.219 1.00 0.00 C ATOM 766 CE LYS A 50 -10.116 0.165 5.409 1.00 0.00 C ATOM 767 NZ LYS A 50 -9.963 1.142 4.285 1.00 0.00 N ATOM 0 H LYS A 50 -7.484 -3.953 9.210 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.956 -1.759 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.186 -2.310 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.595 -1.824 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.900 0.385 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.219 -0.053 8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.276 1.028 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.159 -0.681 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.372 -0.818 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.936 0.472 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.446 0.777 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.383 2.053 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.953 1.275 4.076 1.00 0.00 H new ATOM 781 N LYS A 51 -10.326 -3.229 10.966 1.00 0.00 N ATOM 782 CA LYS A 51 -11.280 -3.174 12.150 1.00 0.00 C ATOM 783 C LYS A 51 -12.291 -2.002 12.047 1.00 0.00 C ATOM 784 O LYS A 51 -12.488 -1.240 12.982 1.00 0.00 O ATOM 785 CB LYS A 51 -10.483 -3.142 13.483 1.00 0.00 C ATOM 786 CG LYS A 51 -9.490 -1.959 13.552 1.00 0.00 C ATOM 787 CD LYS A 51 -8.092 -2.394 13.061 1.00 0.00 C ATOM 788 CE LYS A 51 -7.482 -3.435 14.014 1.00 0.00 C ATOM 789 NZ LYS A 51 -6.909 -4.565 13.213 1.00 0.00 N ATOM 0 H LYS A 51 -10.077 -4.179 10.691 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.880 -4.084 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.181 -3.076 14.318 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.936 -4.078 13.598 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.856 -1.134 12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.424 -1.592 14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.167 -2.812 12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.437 -1.525 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.704 -2.975 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.244 -3.809 14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.100 -5.465 13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.347 -4.579 12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.882 -4.436 13.116 1.00 0.00 H new ATOM 803 N ARG A 52 -12.922 -1.863 10.895 1.00 0.00 N ATOM 804 CA ARG A 52 -13.915 -0.754 10.672 1.00 0.00 C ATOM 805 C ARG A 52 -15.365 -1.287 10.514 1.00 0.00 C ATOM 806 O ARG A 52 -16.293 -0.497 10.480 1.00 0.00 O ATOM 807 CB ARG A 52 -13.501 0.020 9.406 1.00 0.00 C ATOM 808 CG ARG A 52 -13.815 1.515 9.566 1.00 0.00 C ATOM 809 CD ARG A 52 -12.836 2.162 10.560 1.00 0.00 C ATOM 810 NE ARG A 52 -13.474 2.234 11.918 1.00 0.00 N ATOM 811 CZ ARG A 52 -12.751 2.427 12.979 1.00 0.00 C ATOM 812 NH1 ARG A 52 -12.106 1.437 13.511 1.00 0.00 N ATOM 813 NH2 ARG A 52 -12.687 3.610 13.504 1.00 0.00 N ATOM 0 H ARG A 52 -12.788 -2.479 10.093 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.909 -0.103 11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.436 -0.117 9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.029 -0.378 8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.745 2.014 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.839 1.643 9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.915 1.581 10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.565 3.162 10.221 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.485 2.130 12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.167 0.507 13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.538 1.588 14.345 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.203 4.383 13.084 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.121 3.768 14.338 1.00 0.00 H new ATOM 827 N ARG A 53 -15.573 -2.607 10.420 1.00 0.00 N ATOM 828 CA ARG A 53 -16.966 -3.181 10.263 1.00 0.00 C ATOM 829 C ARG A 53 -17.599 -2.685 8.927 1.00 0.00 C ATOM 830 O ARG A 53 -16.882 -2.281 8.020 1.00 0.00 O ATOM 831 CB ARG A 53 -17.819 -2.763 11.488 1.00 0.00 C ATOM 832 CG ARG A 53 -18.520 -3.990 12.090 1.00 0.00 C ATOM 833 CD ARG A 53 -18.998 -3.667 13.511 1.00 0.00 C ATOM 834 NE ARG A 53 -20.455 -3.316 13.480 1.00 0.00 N ATOM 835 CZ ARG A 53 -20.851 -2.116 13.780 1.00 0.00 C ATOM 836 NH1 ARG A 53 -20.944 -1.217 12.851 1.00 0.00 N ATOM 837 NH2 ARG A 53 -21.149 -1.826 15.010 1.00 0.00 N ATOM 0 H ARG A 53 -14.829 -3.305 10.446 1.00 0.00 H new ATOM 0 HA ARG A 53 -16.925 -4.269 10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.184 -2.293 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -18.560 -2.022 11.188 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -19.367 -4.278 11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.836 -4.838 12.110 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.833 -4.523 14.165 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.422 -2.837 13.920 1.00 0.00 H new ATOM 0 HE ARG A 53 -21.141 -4.025 13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -20.707 -1.453 11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.255 -0.274 13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -21.072 -2.539 15.735 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.460 -0.885 15.251 1.00 0.00 H new ATOM 851 N GLN A 54 -18.927 -2.721 8.802 1.00 0.00 N ATOM 852 CA GLN A 54 -19.635 -2.253 7.549 1.00 0.00 C ATOM 853 C GLN A 54 -19.206 -3.092 6.304 1.00 0.00 C ATOM 854 O GLN A 54 -19.810 -4.117 6.034 1.00 0.00 O ATOM 855 CB GLN A 54 -19.374 -0.735 7.363 1.00 0.00 C ATOM 856 CG GLN A 54 -20.166 -0.185 6.161 1.00 0.00 C ATOM 857 CD GLN A 54 -19.228 0.602 5.237 1.00 0.00 C ATOM 858 OE1 GLN A 54 -18.487 0.023 4.474 1.00 0.00 O ATOM 859 NE2 GLN A 54 -19.222 1.900 5.272 1.00 0.00 N ATOM 0 H GLN A 54 -19.553 -3.062 9.531 1.00 0.00 H new ATOM 0 HA GLN A 54 -20.709 -2.408 7.654 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.660 -0.199 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.309 -0.561 7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.628 -1.006 5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -20.973 0.459 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -19.843 2.396 5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -18.596 2.424 4.660 1.00 0.00 H new ATOM 868 N ARG A 55 -18.195 -2.667 5.552 1.00 0.00 N ATOM 869 CA ARG A 55 -17.743 -3.427 4.325 1.00 0.00 C ATOM 870 C ARG A 55 -16.357 -2.919 3.857 1.00 0.00 C ATOM 871 O ARG A 55 -15.459 -3.714 3.642 1.00 0.00 O ATOM 872 CB ARG A 55 -18.776 -3.238 3.193 1.00 0.00 C ATOM 873 CG ARG A 55 -19.541 -4.553 2.961 1.00 0.00 C ATOM 874 CD ARG A 55 -21.038 -4.264 2.794 1.00 0.00 C ATOM 875 NE ARG A 55 -21.824 -5.452 3.267 1.00 0.00 N ATOM 876 CZ ARG A 55 -22.738 -5.318 4.181 1.00 0.00 C ATOM 877 NH1 ARG A 55 -22.392 -5.070 5.406 1.00 0.00 N ATOM 878 NH2 ARG A 55 -23.991 -5.435 3.861 1.00 0.00 N ATOM 0 H ARG A 55 -17.662 -1.818 5.742 1.00 0.00 H new ATOM 0 HA ARG A 55 -17.662 -4.485 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -19.473 -2.442 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.272 -2.933 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -19.157 -5.055 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -19.384 -5.228 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -21.316 -3.378 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -21.266 -4.054 1.749 1.00 0.00 H new ATOM 0 HE ARG A 55 -21.639 -6.372 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -21.405 -4.981 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -23.106 -4.964 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -24.255 -5.631 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -24.712 -5.331 4.575 1.00 0.00 H new ATOM 892 N ARG A 56 -16.195 -1.600 3.708 1.00 0.00 N ATOM 893 CA ARG A 56 -14.887 -0.964 3.257 1.00 0.00 C ATOM 894 C ARG A 56 -14.615 -1.233 1.754 1.00 0.00 C ATOM 895 O ARG A 56 -15.238 -2.080 1.133 1.00 0.00 O ATOM 896 CB ARG A 56 -13.693 -1.458 4.109 1.00 0.00 C ATOM 897 CG ARG A 56 -13.819 -0.931 5.547 1.00 0.00 C ATOM 898 CD ARG A 56 -12.812 -1.652 6.454 1.00 0.00 C ATOM 899 NE ARG A 56 -13.509 -2.742 7.214 1.00 0.00 N ATOM 900 CZ ARG A 56 -13.919 -3.814 6.603 1.00 0.00 C ATOM 901 NH1 ARG A 56 -13.057 -4.638 6.085 1.00 0.00 N ATOM 902 NH2 ARG A 56 -15.189 -4.049 6.518 1.00 0.00 N ATOM 0 H ARG A 56 -16.938 -0.924 3.886 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.991 0.111 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.665 -2.548 4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.756 -1.117 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.637 0.143 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.833 -1.090 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.004 -2.072 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.360 -0.943 7.148 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.662 -2.641 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.058 -4.444 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.379 -5.479 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.857 -3.396 6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.522 -4.887 6.041 1.00 0.00 H new ATOM 916 N ARG A 57 -13.687 -0.487 1.170 1.00 0.00 N ATOM 917 CA ARG A 57 -13.356 -0.653 -0.293 1.00 0.00 C ATOM 918 C ARG A 57 -12.458 -1.899 -0.537 1.00 0.00 C ATOM 919 O ARG A 57 -11.701 -2.298 0.338 1.00 0.00 O ATOM 920 CB ARG A 57 -12.665 0.618 -0.840 1.00 0.00 C ATOM 921 CG ARG A 57 -11.421 0.978 -0.006 1.00 0.00 C ATOM 922 CD ARG A 57 -10.187 1.069 -0.907 1.00 0.00 C ATOM 923 NE ARG A 57 -8.950 0.794 -0.094 1.00 0.00 N ATOM 924 CZ ARG A 57 -8.676 -0.406 0.339 1.00 0.00 C ATOM 925 NH1 ARG A 57 -8.704 -1.413 -0.474 1.00 0.00 N ATOM 926 NH2 ARG A 57 -8.334 -0.579 1.577 1.00 0.00 N ATOM 0 H ARG A 57 -13.145 0.232 1.649 1.00 0.00 H new ATOM 0 HA ARG A 57 -14.294 -0.805 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.376 0.460 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.368 1.451 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.579 1.929 0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.262 0.225 0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.266 0.351 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.126 2.059 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.313 1.561 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.941 -1.269 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.489 -2.350 -0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.280 0.221 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.119 -1.515 1.921 1.00 0.00 H new ATOM 940 N PRO A 58 -12.583 -2.480 -1.732 1.00 0.00 N ATOM 941 CA PRO A 58 -11.820 -3.695 -2.131 1.00 0.00 C ATOM 942 C PRO A 58 -10.340 -3.389 -2.466 1.00 0.00 C ATOM 943 O PRO A 58 -9.451 -3.840 -1.770 1.00 0.00 O ATOM 944 CB PRO A 58 -12.580 -4.203 -3.367 1.00 0.00 C ATOM 945 CG PRO A 58 -13.351 -2.992 -3.941 1.00 0.00 C ATOM 946 CD PRO A 58 -13.492 -1.975 -2.795 1.00 0.00 C ATOM 0 HA PRO A 58 -11.766 -4.427 -1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.890 -4.608 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.266 -5.006 -3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.814 -2.555 -4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.330 -3.296 -4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.208 -0.973 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -14.521 -1.916 -2.441 1.00 0.00 H new ATOM 954 N SER A 59 -10.066 -2.646 -3.528 1.00 0.00 N ATOM 955 CA SER A 59 -8.646 -2.341 -3.912 1.00 0.00 C ATOM 956 C SER A 59 -8.567 -1.055 -4.750 1.00 0.00 C ATOM 957 O SER A 59 -9.404 -0.804 -5.602 1.00 0.00 O ATOM 958 CB SER A 59 -8.082 -3.513 -4.718 1.00 0.00 C ATOM 959 OG SER A 59 -6.767 -3.204 -5.175 1.00 0.00 O ATOM 0 H SER A 59 -10.771 -2.240 -4.143 1.00 0.00 H new ATOM 0 HA SER A 59 -8.062 -2.194 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.060 -4.412 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.730 -3.726 -5.568 1.00 0.00 H new ATOM 0 HG SER A 59 -6.413 -3.960 -5.688 1.00 0.00 H new ATOM 965 N GLN A 60 -7.545 -0.261 -4.518 1.00 0.00 N ATOM 966 CA GLN A 60 -7.349 1.002 -5.297 1.00 0.00 C ATOM 967 C GLN A 60 -5.990 0.914 -6.014 1.00 0.00 C ATOM 968 O GLN A 60 -4.953 1.179 -5.429 1.00 0.00 O ATOM 969 CB GLN A 60 -7.397 2.210 -4.343 1.00 0.00 C ATOM 970 CG GLN A 60 -8.437 3.231 -4.835 1.00 0.00 C ATOM 971 CD GLN A 60 -9.849 2.647 -4.694 1.00 0.00 C ATOM 972 OE1 GLN A 60 -10.392 2.599 -3.615 1.00 0.00 O ATOM 973 NE2 GLN A 60 -10.465 2.185 -5.741 1.00 0.00 N ATOM 0 H GLN A 60 -6.831 -0.439 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.140 1.130 -6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.650 1.878 -3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.414 2.678 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.356 4.152 -4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.243 3.488 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.014 2.221 -6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.399 1.786 -5.648 1.00 0.00 H new ATOM 982 N GLY A 61 -6.005 0.495 -7.267 1.00 0.00 N ATOM 983 CA GLY A 61 -4.733 0.332 -8.052 1.00 0.00 C ATOM 984 C GLY A 61 -4.114 -1.041 -7.746 1.00 0.00 C ATOM 985 O GLY A 61 -4.716 -2.070 -8.011 1.00 0.00 O ATOM 0 H GLY A 61 -6.854 0.258 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.938 0.421 -9.119 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.031 1.125 -7.795 1.00 0.00 H new ATOM 989 N GLY A 62 -2.927 -1.059 -7.176 1.00 0.00 N ATOM 990 CA GLY A 62 -2.240 -2.358 -6.824 1.00 0.00 C ATOM 991 C GLY A 62 -2.498 -2.702 -5.351 1.00 0.00 C ATOM 992 O GLY A 62 -1.570 -2.756 -4.558 1.00 0.00 O ATOM 0 H GLY A 62 -2.396 -0.222 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.609 -3.160 -7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.168 -2.273 -7.005 1.00 0.00 H new ATOM 996 N GLN A 63 -3.760 -2.913 -4.978 1.00 0.00 N ATOM 997 CA GLN A 63 -4.133 -3.227 -3.545 1.00 0.00 C ATOM 998 C GLN A 63 -3.725 -2.036 -2.660 1.00 0.00 C ATOM 999 O GLN A 63 -3.032 -2.201 -1.671 1.00 0.00 O ATOM 1000 CB GLN A 63 -3.421 -4.510 -3.073 1.00 0.00 C ATOM 1001 CG GLN A 63 -4.243 -5.228 -1.978 1.00 0.00 C ATOM 1002 CD GLN A 63 -5.682 -5.495 -2.447 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -6.591 -4.794 -2.063 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -5.927 -6.475 -3.265 1.00 0.00 N ATOM 0 H GLN A 63 -4.553 -2.879 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.208 -3.392 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.272 -5.180 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.433 -4.261 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.762 -6.171 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.260 -4.619 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.165 -7.069 -3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.881 -6.650 -3.580 1.00 0.00 H new ATOM 1013 N THR A 64 -4.133 -0.841 -3.068 1.00 0.00 N ATOM 1014 CA THR A 64 -3.790 0.445 -2.364 1.00 0.00 C ATOM 1015 C THR A 64 -2.290 0.700 -2.423 1.00 0.00 C ATOM 1016 O THR A 64 -1.885 1.579 -3.156 1.00 0.00 O ATOM 1017 CB THR A 64 -4.343 0.539 -0.906 1.00 0.00 C ATOM 1018 OG1 THR A 64 -3.649 -0.313 -0.007 1.00 0.00 O ATOM 1019 CG2 THR A 64 -5.822 0.179 -0.889 1.00 0.00 C ATOM 0 H THR A 64 -4.714 -0.707 -3.896 1.00 0.00 H new ATOM 0 HA THR A 64 -4.302 1.240 -2.906 1.00 0.00 H new ATOM 0 HB THR A 64 -4.195 1.567 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.670 -1.232 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.201 0.247 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.372 0.870 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.953 -0.838 -1.258 1.00 0.00 H new ATOM 1027 N HIS A 65 -1.479 -0.007 -1.646 1.00 0.00 N ATOM 1028 CA HIS A 65 0.007 0.205 -1.608 1.00 0.00 C ATOM 1029 C HIS A 65 0.244 1.501 -0.806 1.00 0.00 C ATOM 1030 O HIS A 65 0.821 1.487 0.269 1.00 0.00 O ATOM 1031 CB HIS A 65 0.617 0.234 -3.049 1.00 0.00 C ATOM 1032 CG HIS A 65 1.843 1.098 -3.108 1.00 0.00 C ATOM 1033 ND1 HIS A 65 3.115 0.602 -2.903 1.00 0.00 N ATOM 1034 CD2 HIS A 65 1.988 2.435 -3.337 1.00 0.00 C ATOM 1035 CE1 HIS A 65 3.972 1.634 -3.014 1.00 0.00 C ATOM 1036 NE2 HIS A 65 3.335 2.778 -3.278 1.00 0.00 N ATOM 0 H HIS A 65 -1.805 -0.743 -1.020 1.00 0.00 H new ATOM 0 HA HIS A 65 0.521 -0.622 -1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.869 -0.780 -3.359 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.127 0.607 -3.753 1.00 0.00 H new ATOM 0 HD1 HIS A 65 3.360 -0.368 -2.704 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.179 3.123 -3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.043 1.548 -2.903 1.00 0.00 H new ATOM 1044 N GLN A 66 -0.264 2.597 -1.319 1.00 0.00 N ATOM 1045 CA GLN A 66 -0.179 3.908 -0.637 1.00 0.00 C ATOM 1046 C GLN A 66 -1.077 3.884 0.609 1.00 0.00 C ATOM 1047 O GLN A 66 -2.051 3.143 0.671 1.00 0.00 O ATOM 1048 CB GLN A 66 -0.693 4.964 -1.599 1.00 0.00 C ATOM 1049 CG GLN A 66 0.080 6.258 -1.416 1.00 0.00 C ATOM 1050 CD GLN A 66 0.836 6.593 -2.709 1.00 0.00 C ATOM 1051 OE1 GLN A 66 1.644 5.813 -3.177 1.00 0.00 O ATOM 1052 NE2 GLN A 66 0.625 7.730 -3.304 1.00 0.00 N ATOM 0 H GLN A 66 -0.750 2.626 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 66 0.848 4.123 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.591 4.612 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.755 5.138 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.603 7.069 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.781 6.160 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.051 8.390 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.135 7.962 -4.156 1.00 0.00 H new ATOM 1061 N ASP A 67 -0.758 4.690 1.582 1.00 0.00 N ATOM 1062 CA ASP A 67 -1.541 4.744 2.823 1.00 0.00 C ATOM 1063 C ASP A 67 -1.534 6.212 3.297 1.00 0.00 C ATOM 1064 O ASP A 67 -0.615 6.928 2.995 1.00 0.00 O ATOM 1065 CB ASP A 67 -0.853 3.795 3.776 1.00 0.00 C ATOM 1066 CG ASP A 67 -1.784 3.281 4.854 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -2.607 2.439 4.560 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -1.632 3.723 5.965 1.00 0.00 O ATOM 0 H ASP A 67 0.038 5.327 1.557 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.584 4.443 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.450 2.951 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.008 4.302 4.242 1.00 0.00 H new ATOM 1073 N PRO A 68 -2.588 6.653 3.924 1.00 0.00 N ATOM 1074 CA PRO A 68 -2.755 8.083 4.271 1.00 0.00 C ATOM 1075 C PRO A 68 -1.789 8.697 5.318 1.00 0.00 C ATOM 1076 O PRO A 68 -1.871 9.893 5.512 1.00 0.00 O ATOM 1077 CB PRO A 68 -4.210 8.166 4.685 1.00 0.00 C ATOM 1078 CG PRO A 68 -4.655 6.748 5.086 1.00 0.00 C ATOM 1079 CD PRO A 68 -3.684 5.786 4.394 1.00 0.00 C ATOM 0 HA PRO A 68 -2.485 8.701 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.333 8.857 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.822 8.543 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.624 6.621 6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.681 6.558 4.772 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.321 5.023 5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.163 5.265 3.565 1.00 0.00 H new ATOM 1087 N ILE A 69 -0.796 7.969 5.866 1.00 0.00 N ATOM 1088 CA ILE A 69 0.251 8.576 6.810 1.00 0.00 C ATOM 1089 C ILE A 69 -0.352 9.689 7.778 1.00 0.00 C ATOM 1090 O ILE A 69 -1.553 9.676 8.005 1.00 0.00 O ATOM 1091 CB ILE A 69 1.443 9.071 5.938 1.00 0.00 C ATOM 1092 CG1 ILE A 69 1.067 9.286 4.474 1.00 0.00 C ATOM 1093 CG2 ILE A 69 2.583 8.064 5.991 1.00 0.00 C ATOM 1094 CD1 ILE A 69 1.171 10.763 4.234 1.00 0.00 C ATOM 0 H ILE A 69 -0.670 6.971 5.695 1.00 0.00 H new ATOM 0 HA ILE A 69 0.612 7.817 7.504 1.00 0.00 H new ATOM 0 HB ILE A 69 1.744 10.032 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.737 8.735 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.057 8.928 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.411 8.420 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.918 7.948 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.237 7.103 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.913 10.982 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.485 11.289 4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.191 11.093 4.431 1.00 0.00 H new ATOM 1106 N PRO A 70 0.446 10.611 8.377 1.00 0.00 N ATOM 1107 CA PRO A 70 -0.133 11.638 9.271 1.00 0.00 C ATOM 1108 C PRO A 70 -0.665 12.865 8.482 1.00 0.00 C ATOM 1109 O PRO A 70 0.087 13.574 7.820 1.00 0.00 O ATOM 1110 CB PRO A 70 1.028 12.023 10.195 1.00 0.00 C ATOM 1111 CG PRO A 70 2.327 11.644 9.451 1.00 0.00 C ATOM 1112 CD PRO A 70 1.928 10.711 8.293 1.00 0.00 C ATOM 0 HA PRO A 70 -0.999 11.265 9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.007 13.089 10.420 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.958 11.495 11.146 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.829 12.535 9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.025 11.146 10.124 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.243 11.117 7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.397 9.732 8.395 1.00 0.00 H new ATOM 1120 N LYS A 71 -1.965 13.094 8.594 1.00 0.00 N ATOM 1121 CA LYS A 71 -2.717 14.246 7.949 1.00 0.00 C ATOM 1122 C LYS A 71 -3.114 13.949 6.478 1.00 0.00 C ATOM 1123 O LYS A 71 -3.258 14.867 5.686 1.00 0.00 O ATOM 1124 CB LYS A 71 -1.922 15.569 8.043 1.00 0.00 C ATOM 1125 CG LYS A 71 -1.661 15.954 9.519 1.00 0.00 C ATOM 1126 CD LYS A 71 -0.153 15.899 9.863 1.00 0.00 C ATOM 1127 CE LYS A 71 0.684 16.768 8.906 1.00 0.00 C ATOM 1128 NZ LYS A 71 1.815 15.950 8.363 1.00 0.00 N ATOM 0 H LYS A 71 -2.574 12.488 9.143 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.641 14.361 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.973 15.466 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.476 16.366 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.041 16.958 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.209 15.278 10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.001 16.238 10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.194 14.867 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.061 17.136 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.070 17.641 9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.228 16.432 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.543 15.834 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.461 15.015 8.075 1.00 0.00 H new ATOM 1142 N GLN A 72 -3.319 12.675 6.141 1.00 0.00 N ATOM 1143 CA GLN A 72 -3.736 12.206 4.749 1.00 0.00 C ATOM 1144 C GLN A 72 -3.383 13.203 3.588 1.00 0.00 C ATOM 1145 O GLN A 72 -4.264 13.644 2.860 1.00 0.00 O ATOM 1146 CB GLN A 72 -5.251 11.911 4.783 1.00 0.00 C ATOM 1147 CG GLN A 72 -5.668 11.087 3.551 1.00 0.00 C ATOM 1148 CD GLN A 72 -7.012 10.401 3.813 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -7.060 9.264 4.223 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -8.118 11.046 3.584 1.00 0.00 N ATOM 0 H GLN A 72 -3.209 11.908 6.805 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.159 11.311 4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.501 11.367 5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.809 12.847 4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.745 11.735 2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.906 10.340 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.087 12.005 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.017 10.593 3.750 1.00 0.00 H new ATOM 1159 N PRO A 73 -2.094 13.506 3.415 1.00 0.00 N ATOM 1160 CA PRO A 73 -1.619 14.404 2.331 1.00 0.00 C ATOM 1161 C PRO A 73 -1.486 13.579 1.024 1.00 0.00 C ATOM 1162 O PRO A 73 -0.392 13.313 0.550 1.00 0.00 O ATOM 1163 CB PRO A 73 -0.252 14.883 2.845 1.00 0.00 C ATOM 1164 CG PRO A 73 0.234 13.814 3.852 1.00 0.00 C ATOM 1165 CD PRO A 73 -1.003 12.999 4.274 1.00 0.00 C ATOM 0 HA PRO A 73 -2.283 15.239 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.455 14.993 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.337 15.858 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.985 13.168 3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.701 14.284 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.844 11.931 4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.231 13.142 5.330 1.00 0.00 H new ATOM 1173 N SER A 74 -2.614 13.132 0.480 1.00 0.00 N ATOM 1174 CA SER A 74 -2.632 12.266 -0.767 1.00 0.00 C ATOM 1175 C SER A 74 -2.022 10.848 -0.494 1.00 0.00 C ATOM 1176 O SER A 74 -1.815 10.080 -1.423 1.00 0.00 O ATOM 1177 CB SER A 74 -1.902 12.994 -1.934 1.00 0.00 C ATOM 1178 OG SER A 74 -0.550 12.545 -2.071 1.00 0.00 O ATOM 0 H SER A 74 -3.540 13.336 0.857 1.00 0.00 H new ATOM 0 HA SER A 74 -3.670 12.107 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.440 12.820 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.913 14.069 -1.756 1.00 0.00 H new ATOM 0 HG SER A 74 -0.077 12.669 -1.222 1.00 0.00 H new ATOM 1184 N SER A 75 -1.770 10.494 0.777 1.00 0.00 N ATOM 1185 CA SER A 75 -1.202 9.142 1.159 1.00 0.00 C ATOM 1186 C SER A 75 0.313 9.029 0.788 1.00 0.00 C ATOM 1187 O SER A 75 0.814 9.769 -0.036 1.00 0.00 O ATOM 1188 CB SER A 75 -2.044 8.004 0.523 1.00 0.00 C ATOM 1189 OG SER A 75 -3.419 8.206 0.840 1.00 0.00 O ATOM 0 H SER A 75 -1.942 11.108 1.573 1.00 0.00 H new ATOM 0 HA SER A 75 -1.264 9.038 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.905 7.993 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.711 7.036 0.897 1.00 0.00 H new ATOM 0 HG SER A 75 -3.907 7.364 0.730 1.00 0.00 H new ATOM 1195 N GLN A 76 1.019 8.109 1.459 1.00 0.00 N ATOM 1196 CA GLN A 76 2.511 7.837 1.296 1.00 0.00 C ATOM 1197 C GLN A 76 3.041 8.238 -0.113 1.00 0.00 C ATOM 1198 O GLN A 76 2.648 7.649 -1.079 1.00 0.00 O ATOM 1199 CB GLN A 76 2.729 6.318 1.550 1.00 0.00 C ATOM 1200 CG GLN A 76 4.101 5.818 1.034 1.00 0.00 C ATOM 1201 CD GLN A 76 5.247 6.431 1.846 1.00 0.00 C ATOM 1202 OE1 GLN A 76 5.384 6.170 3.017 1.00 0.00 O ATOM 1203 NE2 GLN A 76 6.094 7.227 1.271 1.00 0.00 N ATOM 0 H GLN A 76 0.586 7.502 2.155 1.00 0.00 H new ATOM 0 HA GLN A 76 3.070 8.444 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.652 6.118 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.934 5.754 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.144 4.731 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.215 6.079 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.989 7.455 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.865 7.625 1.807 1.00 0.00 H new ATOM 1212 N PRO A 77 3.933 9.219 -0.190 1.00 0.00 N ATOM 1213 CA PRO A 77 4.504 9.673 -1.488 1.00 0.00 C ATOM 1214 C PRO A 77 5.500 8.625 -2.044 1.00 0.00 C ATOM 1215 O PRO A 77 6.711 8.821 -2.043 1.00 0.00 O ATOM 1216 CB PRO A 77 5.179 11.008 -1.132 1.00 0.00 C ATOM 1217 CG PRO A 77 5.447 10.969 0.388 1.00 0.00 C ATOM 1218 CD PRO A 77 4.457 9.949 0.980 1.00 0.00 C ATOM 0 HA PRO A 77 3.763 9.793 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.109 11.133 -1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.537 11.849 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.476 10.675 0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.302 11.953 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.952 9.275 1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.657 10.445 1.529 1.00 0.00 H new ATOM 1226 N ARG A 78 4.982 7.493 -2.484 1.00 0.00 N ATOM 1227 CA ARG A 78 5.847 6.400 -3.015 1.00 0.00 C ATOM 1228 C ARG A 78 5.431 5.962 -4.439 1.00 0.00 C ATOM 1229 O ARG A 78 6.252 6.013 -5.341 1.00 0.00 O ATOM 1230 CB ARG A 78 5.787 5.205 -2.055 1.00 0.00 C ATOM 1231 CG ARG A 78 7.028 4.317 -2.247 1.00 0.00 C ATOM 1232 CD ARG A 78 8.247 4.977 -1.588 1.00 0.00 C ATOM 1233 NE ARG A 78 8.953 5.860 -2.576 1.00 0.00 N ATOM 1234 CZ ARG A 78 9.805 6.744 -2.164 1.00 0.00 C ATOM 1235 NH1 ARG A 78 9.382 7.848 -1.630 1.00 0.00 N ATOM 1236 NH2 ARG A 78 11.076 6.525 -2.307 1.00 0.00 N ATOM 0 H ARG A 78 3.983 7.286 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 78 6.867 6.778 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.737 5.557 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.882 4.625 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.854 3.334 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.216 4.164 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.931 5.564 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.930 4.211 -1.220 1.00 0.00 H new ATOM 0 HE ARG A 78 8.761 5.763 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.381 8.018 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.051 8.546 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.399 5.661 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.752 7.217 -1.985 1.00 0.00 H new ATOM 1250 N GLY A 79 4.200 5.506 -4.650 1.00 0.00 N ATOM 1251 CA GLY A 79 3.795 5.038 -6.028 1.00 0.00 C ATOM 1252 C GLY A 79 2.290 5.218 -6.286 1.00 0.00 C ATOM 1253 O GLY A 79 1.872 6.279 -6.704 1.00 0.00 O ATOM 0 H GLY A 79 3.473 5.440 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.359 5.593 -6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.058 3.987 -6.144 1.00 0.00 H new ATOM 1257 N ASP A 80 1.507 4.162 -6.069 1.00 0.00 N ATOM 1258 CA ASP A 80 0.011 4.155 -6.311 1.00 0.00 C ATOM 1259 C ASP A 80 -0.668 5.495 -5.881 1.00 0.00 C ATOM 1260 O ASP A 80 -0.923 5.706 -4.706 1.00 0.00 O ATOM 1261 CB ASP A 80 -0.569 2.978 -5.519 1.00 0.00 C ATOM 1262 CG ASP A 80 -1.812 2.449 -6.214 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -2.839 3.087 -6.121 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -1.707 1.419 -6.838 1.00 0.00 O ATOM 0 H ASP A 80 1.864 3.272 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.184 4.049 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.174 2.186 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.816 3.296 -4.506 1.00 0.00 H new ATOM 1269 N PRO A 81 -0.924 6.377 -6.851 1.00 0.00 N ATOM 1270 CA PRO A 81 -1.512 7.725 -6.593 1.00 0.00 C ATOM 1271 C PRO A 81 -3.038 7.722 -6.294 1.00 0.00 C ATOM 1272 O PRO A 81 -3.720 8.700 -6.577 1.00 0.00 O ATOM 1273 CB PRO A 81 -1.209 8.490 -7.892 1.00 0.00 C ATOM 1274 CG PRO A 81 -1.019 7.428 -8.998 1.00 0.00 C ATOM 1275 CD PRO A 81 -0.668 6.110 -8.291 1.00 0.00 C ATOM 0 HA PRO A 81 -1.086 8.169 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.026 9.167 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.312 9.099 -7.782 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.928 7.319 -9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.225 7.722 -9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.283 5.288 -8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 81 0.372 5.832 -8.464 1.00 0.00 H new ATOM 1283 N THR A 82 -3.582 6.680 -5.691 1.00 0.00 N ATOM 1284 CA THR A 82 -5.043 6.677 -5.353 1.00 0.00 C ATOM 1285 C THR A 82 -5.173 6.975 -3.834 1.00 0.00 C ATOM 1286 O THR A 82 -5.572 6.153 -3.050 1.00 0.00 O ATOM 1287 CB THR A 82 -5.687 5.328 -5.777 1.00 0.00 C ATOM 1288 OG1 THR A 82 -5.066 4.245 -5.091 1.00 0.00 O ATOM 1289 CG2 THR A 82 -5.527 5.133 -7.297 1.00 0.00 C ATOM 0 H THR A 82 -3.075 5.837 -5.421 1.00 0.00 H new ATOM 0 HA THR A 82 -5.587 7.447 -5.901 1.00 0.00 H new ATOM 0 HB THR A 82 -6.746 5.349 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.372 3.852 -5.660 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.979 4.186 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.021 5.950 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.468 5.124 -7.553 1.00 0.00 H new ATOM 1297 N GLY A 83 -4.788 8.181 -3.436 1.00 0.00 N ATOM 1298 CA GLY A 83 -4.798 8.634 -1.982 1.00 0.00 C ATOM 1299 C GLY A 83 -6.156 8.552 -1.199 1.00 0.00 C ATOM 1300 O GLY A 83 -6.096 8.481 0.015 1.00 0.00 O ATOM 0 H GLY A 83 -4.455 8.897 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.063 8.039 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.456 9.668 -1.951 1.00 0.00 H new ATOM 1304 N PRO A 84 -7.336 8.585 -1.837 1.00 0.00 N ATOM 1305 CA PRO A 84 -8.628 8.549 -1.117 1.00 0.00 C ATOM 1306 C PRO A 84 -9.044 7.076 -1.107 1.00 0.00 C ATOM 1307 O PRO A 84 -9.980 6.667 -1.784 1.00 0.00 O ATOM 1308 CB PRO A 84 -9.530 9.419 -2.018 1.00 0.00 C ATOM 1309 CG PRO A 84 -8.882 9.389 -3.434 1.00 0.00 C ATOM 1310 CD PRO A 84 -7.545 8.637 -3.287 1.00 0.00 C ATOM 0 HA PRO A 84 -8.645 8.911 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.547 9.027 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.592 10.439 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.534 8.886 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.720 10.400 -3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.597 7.638 -3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.733 9.161 -3.791 1.00 0.00 H new ATOM 1318 N LYS A 85 -8.254 6.263 -0.440 1.00 0.00 N ATOM 1319 CA LYS A 85 -8.479 4.807 -0.489 1.00 0.00 C ATOM 1320 C LYS A 85 -8.284 4.102 0.879 1.00 0.00 C ATOM 1321 O LYS A 85 -9.090 3.247 1.216 1.00 0.00 O ATOM 1322 CB LYS A 85 -7.516 4.300 -1.585 1.00 0.00 C ATOM 1323 CG LYS A 85 -6.113 4.009 -1.022 1.00 0.00 C ATOM 1324 CD LYS A 85 -5.217 3.494 -2.140 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.813 4.105 -2.022 1.00 0.00 C ATOM 1326 NZ LYS A 85 -3.117 4.028 -3.345 1.00 0.00 N ATOM 0 H LYS A 85 -7.465 6.560 0.134 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.517 4.571 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.922 3.394 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.443 5.045 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.688 4.914 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.176 3.271 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.153 2.407 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.650 3.746 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.884 5.143 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.237 3.573 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.626 4.925 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.425 3.251 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.816 3.854 -4.095 1.00 0.00 H new ATOM 1340 N GLU A 86 -7.235 4.415 1.656 1.00 0.00 N ATOM 1341 CA GLU A 86 -7.021 3.712 2.984 1.00 0.00 C ATOM 1342 C GLU A 86 -6.801 2.177 2.740 1.00 0.00 C ATOM 1343 O GLU A 86 -7.306 1.358 3.502 1.00 0.00 O ATOM 1344 CB GLU A 86 -8.255 4.000 3.882 1.00 0.00 C ATOM 1345 CG GLU A 86 -7.932 3.747 5.373 1.00 0.00 C ATOM 1346 CD GLU A 86 -9.205 3.448 6.206 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -10.313 3.672 5.729 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -9.050 2.964 7.310 1.00 0.00 O ATOM 1349 OXT GLU A 86 -6.130 1.841 1.775 1.00 0.00 O ATOM 0 H GLU A 86 -6.533 5.118 1.424 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.129 4.081 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.574 5.034 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.087 3.367 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.241 2.909 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.426 4.619 5.786 1.00 0.00 H new