USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 825 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 67 GLN : amide:sc= 0.839 K(o=1.6,f=-1.7) USER MOD Set 1.2: A 80 SER OG : rot -134:sc= 0.739 USER MOD Set 2.1: A 9 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 2.2: A 10 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=-0.12) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.574 USER MOD Single : A 7 GLN : amide:sc= -6! C(o=-6!,f=-5.3!) USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -0.162 (180deg=-0.826) USER MOD Single : A 12 THR OG1 : rot 69:sc= -2.14! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= -1.23 (180deg=-2.03) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= -0.227 (180deg=-1.67!) USER MOD Single : A 23 MET CE :methyl 153:sc= -1.51 (180deg=-3.69!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -6.48! C(o=-6.5!,f=-17!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 138:sc= -0.331 (180deg=-1.49!) USER MOD Single : A 50 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.29) USER MOD Single : A 54 ASN : amide:sc= -1.71! X(o=-1.7!,f=-1.8) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 59 SER OG : rot 130:sc= 0.785 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.0183 (180deg=-0.206) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 165:sc= -0.391 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= -0.223 (180deg=-0.562) USER MOD Single : A 81 SER OG : rot -45:sc= -1.34! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 84 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.5!) USER MOD Single : A 85 THR OG1 : rot -66:sc= 0.774 USER MOD Single : A 87 CYS SG : rot 180:sc= -3.74! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.353 K(o=-0.35,f=-5.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.75) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.636 10.750 -1.379 1.00 1.00 N ATOM 16 CA ASP A 2 -6.864 10.887 -2.844 1.00 1.00 C ATOM 17 C ASP A 2 -6.341 9.631 -3.543 1.00 1.00 C ATOM 18 O ASP A 2 -5.213 9.227 -3.351 1.00 1.00 O ATOM 19 CB ASP A 2 -6.123 12.120 -3.369 1.00 1.00 C ATOM 20 CG ASP A 2 -6.689 12.513 -4.736 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.804 13.006 -4.774 1.00 1.00 O ATOM 22 OD2 ASP A 2 -5.997 12.314 -5.721 1.00 1.00 O ATOM 0 HA ASP A 2 -7.929 11.004 -3.044 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -6.230 12.948 -2.668 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.057 11.909 -3.452 1.00 1.00 H new ATOM 27 N TRP A 3 -7.158 9.002 -4.341 1.00 1.00 N ATOM 28 CA TRP A 3 -6.710 7.764 -5.036 1.00 1.00 C ATOM 29 C TRP A 3 -5.360 8.015 -5.713 1.00 1.00 C ATOM 30 O TRP A 3 -4.568 7.111 -5.890 1.00 1.00 O ATOM 31 CB TRP A 3 -7.766 7.357 -6.072 1.00 1.00 C ATOM 32 CG TRP A 3 -7.176 6.439 -7.100 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.309 6.603 -8.435 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.380 5.226 -6.914 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.646 5.576 -9.082 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.057 4.703 -8.191 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.906 4.534 -5.781 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.299 3.541 -8.338 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.143 3.364 -5.927 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.840 2.869 -7.203 1.00 1.00 C ATOM 0 H TRP A 3 -8.115 9.291 -4.542 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.591 6.955 -4.315 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.600 6.864 -5.573 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.166 8.246 -6.559 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.846 7.406 -8.918 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.598 5.476 -10.096 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.131 4.907 -4.793 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.069 3.164 -9.323 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.787 2.842 -5.051 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.252 1.969 -7.308 1.00 1.00 H new ATOM 51 N GLU A 4 -5.086 9.233 -6.089 1.00 1.00 N ATOM 52 CA GLU A 4 -3.784 9.530 -6.749 1.00 1.00 C ATOM 53 C GLU A 4 -2.640 9.242 -5.775 1.00 1.00 C ATOM 54 O GLU A 4 -2.008 8.210 -5.836 1.00 1.00 O ATOM 55 CB GLU A 4 -3.744 11.002 -7.164 1.00 1.00 C ATOM 56 CG GLU A 4 -4.917 11.299 -8.101 1.00 1.00 C ATOM 57 CD GLU A 4 -4.699 10.581 -9.434 1.00 1.00 C ATOM 58 OE1 GLU A 4 -3.717 10.883 -10.093 1.00 1.00 O ATOM 59 OE2 GLU A 4 -5.518 9.744 -9.773 1.00 1.00 O ATOM 0 H GLU A 4 -5.706 10.034 -5.968 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.675 8.902 -7.633 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.798 11.641 -6.283 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.801 11.225 -7.663 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.852 10.970 -7.647 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.003 12.373 -8.264 1.00 1.00 H new ATOM 66 N THR A 5 -2.365 10.142 -4.874 1.00 1.00 N ATOM 67 CA THR A 5 -1.258 9.899 -3.907 1.00 1.00 C ATOM 68 C THR A 5 -1.435 8.520 -3.278 1.00 1.00 C ATOM 69 O THR A 5 -0.510 7.734 -3.213 1.00 1.00 O ATOM 70 CB THR A 5 -1.278 10.970 -2.819 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.124 10.832 -2.001 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.535 10.819 -1.961 1.00 1.00 C ATOM 0 H THR A 5 -2.855 11.030 -4.765 1.00 1.00 H new ATOM 0 HA THR A 5 -0.302 9.942 -4.429 1.00 1.00 H new ATOM 0 HB THR A 5 -1.281 11.956 -3.285 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.134 11.520 -1.303 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.542 11.587 -1.187 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.419 10.929 -2.589 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.541 9.834 -1.495 1.00 1.00 H new ATOM 80 N PHE A 6 -2.618 8.208 -2.826 1.00 1.00 N ATOM 81 CA PHE A 6 -2.847 6.870 -2.220 1.00 1.00 C ATOM 82 C PHE A 6 -2.333 5.809 -3.192 1.00 1.00 C ATOM 83 O PHE A 6 -1.978 4.714 -2.808 1.00 1.00 O ATOM 84 CB PHE A 6 -4.344 6.668 -1.974 1.00 1.00 C ATOM 85 CG PHE A 6 -4.556 5.505 -1.032 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.367 5.674 0.346 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.948 4.260 -1.537 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.568 4.596 1.217 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.150 3.183 -0.666 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.960 3.351 0.710 1.00 1.00 C ATOM 0 H PHE A 6 -3.433 8.821 -2.851 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.321 6.791 -1.268 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.778 7.574 -1.551 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.855 6.481 -2.918 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.066 6.635 0.736 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.095 4.130 -2.599 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.421 4.725 2.279 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.452 2.222 -1.056 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.116 2.520 1.382 1.00 1.00 H new ATOM 100 N GLN A 7 -2.279 6.135 -4.455 1.00 1.00 N ATOM 101 CA GLN A 7 -1.775 5.160 -5.458 1.00 1.00 C ATOM 102 C GLN A 7 -0.264 5.343 -5.613 1.00 1.00 C ATOM 103 O GLN A 7 0.426 4.486 -6.127 1.00 1.00 O ATOM 104 CB GLN A 7 -2.466 5.404 -6.807 1.00 1.00 C ATOM 105 CG GLN A 7 -1.899 4.451 -7.864 1.00 1.00 C ATOM 106 CD GLN A 7 -0.606 5.033 -8.443 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.383 4.339 -8.569 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.572 6.286 -8.804 1.00 1.00 N ATOM 0 H GLN A 7 -2.564 7.038 -4.834 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.991 4.144 -5.126 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.541 5.252 -6.707 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.317 6.438 -7.120 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.703 3.475 -7.420 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.629 4.299 -8.659 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -1.402 6.870 -8.699 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.284 6.682 -9.192 1.00 1.00 H new ATOM 117 N LYS A 8 0.251 6.471 -5.198 1.00 1.00 N ATOM 118 CA LYS A 8 1.713 6.726 -5.351 1.00 1.00 C ATOM 119 C LYS A 8 2.497 6.236 -4.126 1.00 1.00 C ATOM 120 O LYS A 8 3.484 5.539 -4.257 1.00 1.00 O ATOM 121 CB LYS A 8 1.939 8.231 -5.523 1.00 1.00 C ATOM 122 CG LYS A 8 1.055 8.765 -6.660 1.00 1.00 C ATOM 123 CD LYS A 8 1.802 8.657 -7.992 1.00 1.00 C ATOM 124 CE LYS A 8 0.931 9.221 -9.115 1.00 1.00 C ATOM 125 NZ LYS A 8 0.579 10.636 -8.808 1.00 1.00 N ATOM 0 H LYS A 8 -0.278 7.226 -4.760 1.00 1.00 H new ATOM 0 HA LYS A 8 2.069 6.180 -6.225 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.706 8.751 -4.594 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.988 8.427 -5.743 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.125 8.198 -6.707 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.786 9.803 -6.467 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.743 9.204 -7.938 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.050 7.616 -8.198 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.463 9.165 -10.065 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.025 8.625 -9.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.341 11.134 -9.690 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.239 10.659 -8.166 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.389 11.104 -8.353 1.00 1.00 H new ATOM 139 N LYS A 9 2.099 6.616 -2.941 1.00 1.00 N ATOM 140 CA LYS A 9 2.866 6.189 -1.731 1.00 1.00 C ATOM 141 C LYS A 9 2.447 4.788 -1.260 1.00 1.00 C ATOM 142 O LYS A 9 3.278 3.927 -1.068 1.00 1.00 O ATOM 143 CB LYS A 9 2.639 7.200 -0.598 1.00 1.00 C ATOM 144 CG LYS A 9 1.213 7.756 -0.670 1.00 1.00 C ATOM 145 CD LYS A 9 0.826 8.339 0.693 1.00 1.00 C ATOM 146 CE LYS A 9 -0.544 9.017 0.595 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.131 9.146 1.959 1.00 1.00 N ATOM 0 H LYS A 9 1.283 7.199 -2.757 1.00 1.00 H new ATOM 0 HA LYS A 9 3.922 6.153 -1.997 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.803 6.720 0.367 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.360 8.014 -0.676 1.00 1.00 H new ATOM 0 HG2 LYS A 9 1.149 8.526 -1.439 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.516 6.966 -0.951 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.798 7.548 1.443 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.577 9.060 1.017 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.443 10.000 0.136 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.206 8.433 -0.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.832 9.915 1.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.594 8.253 2.223 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.377 9.360 2.643 1.00 1.00 H new ATOM 161 N HIS A 10 1.181 4.555 -1.045 1.00 1.00 N ATOM 162 CA HIS A 10 0.749 3.210 -0.554 1.00 1.00 C ATOM 163 C HIS A 10 0.931 2.144 -1.632 1.00 1.00 C ATOM 164 O HIS A 10 1.055 0.987 -1.322 1.00 1.00 O ATOM 165 CB HIS A 10 -0.722 3.256 -0.135 1.00 1.00 C ATOM 166 CG HIS A 10 -0.858 4.056 1.132 1.00 1.00 C ATOM 167 ND1 HIS A 10 -0.837 3.464 2.387 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.016 5.402 1.355 1.00 1.00 C ATOM 169 CE1 HIS A 10 -0.979 4.442 3.300 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.092 5.639 2.722 1.00 1.00 N ATOM 0 H HIS A 10 0.430 5.231 -1.186 1.00 1.00 H new ATOM 0 HA HIS A 10 1.372 2.950 0.302 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.323 3.704 -0.927 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.099 2.245 0.018 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -1.072 6.159 0.587 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -0.999 4.278 4.367 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.210 6.540 3.186 1.00 1.00 H new ATOM 179 N LEU A 11 0.936 2.499 -2.888 1.00 1.00 N ATOM 180 CA LEU A 11 1.098 1.452 -3.949 1.00 1.00 C ATOM 181 C LEU A 11 2.431 1.631 -4.672 1.00 1.00 C ATOM 182 O LEU A 11 2.898 2.736 -4.873 1.00 1.00 O ATOM 183 CB LEU A 11 -0.048 1.568 -4.959 1.00 1.00 C ATOM 184 CG LEU A 11 -1.218 0.691 -4.512 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.648 1.090 -3.099 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.389 0.880 -5.475 1.00 1.00 C ATOM 0 H LEU A 11 0.837 3.456 -3.227 1.00 1.00 H new ATOM 0 HA LEU A 11 1.079 0.468 -3.480 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.370 2.606 -5.041 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.293 1.261 -5.948 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.910 -0.355 -4.513 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.482 0.464 -2.782 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.812 0.956 -2.413 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -1.957 2.135 -3.094 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.225 0.256 -5.159 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.696 1.926 -5.473 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.083 0.593 -6.481 1.00 1.00 H new ATOM 198 N THR A 12 3.037 0.544 -5.080 1.00 1.00 N ATOM 199 CA THR A 12 4.337 0.637 -5.812 1.00 1.00 C ATOM 200 C THR A 12 4.233 -0.156 -7.117 1.00 1.00 C ATOM 201 O THR A 12 3.155 -0.530 -7.537 1.00 1.00 O ATOM 202 CB THR A 12 5.469 0.068 -4.951 1.00 1.00 C ATOM 203 OG1 THR A 12 6.618 -0.122 -5.764 1.00 1.00 O ATOM 204 CG2 THR A 12 5.051 -1.272 -4.333 1.00 1.00 C ATOM 0 H THR A 12 2.688 -0.404 -4.938 1.00 1.00 H new ATOM 0 HA THR A 12 4.555 1.682 -6.031 1.00 1.00 H new ATOM 0 HB THR A 12 5.692 0.768 -4.146 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.978 0.750 -6.031 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.867 -1.662 -3.724 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.170 -1.125 -3.708 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.819 -1.982 -5.127 1.00 1.00 H new ATOM 212 N ASP A 13 5.340 -0.400 -7.773 1.00 1.00 N ATOM 213 CA ASP A 13 5.297 -1.152 -9.063 1.00 1.00 C ATOM 214 C ASP A 13 6.125 -2.438 -8.972 1.00 1.00 C ATOM 215 O ASP A 13 6.389 -3.075 -9.973 1.00 1.00 O ATOM 216 CB ASP A 13 5.862 -0.269 -10.177 1.00 1.00 C ATOM 217 CG ASP A 13 5.604 -0.928 -11.532 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.446 -1.104 -11.873 1.00 1.00 O ATOM 219 OD2 ASP A 13 6.569 -1.246 -12.208 1.00 1.00 O ATOM 0 H ASP A 13 6.270 -0.111 -7.471 1.00 1.00 H new ATOM 0 HA ASP A 13 4.262 -1.418 -9.278 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.397 0.716 -10.146 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.932 -0.121 -10.031 1.00 1.00 H new ATOM 224 N THR A 14 6.547 -2.836 -7.799 1.00 1.00 N ATOM 225 CA THR A 14 7.358 -4.086 -7.703 1.00 1.00 C ATOM 226 C THR A 14 7.115 -4.773 -6.357 1.00 1.00 C ATOM 227 O THR A 14 6.771 -4.143 -5.377 1.00 1.00 O ATOM 228 CB THR A 14 8.842 -3.742 -7.836 1.00 1.00 C ATOM 229 OG1 THR A 14 9.609 -4.937 -7.802 1.00 1.00 O ATOM 230 CG2 THR A 14 9.261 -2.831 -6.682 1.00 1.00 C ATOM 0 H THR A 14 6.368 -2.358 -6.916 1.00 1.00 H new ATOM 0 HA THR A 14 7.062 -4.762 -8.505 1.00 1.00 H new ATOM 0 HB THR A 14 9.013 -3.228 -8.782 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.560 -4.718 -7.889 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.319 -2.586 -6.777 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.672 -1.914 -6.710 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.091 -3.342 -5.735 1.00 1.00 H new ATOM 238 N LYS A 15 7.302 -6.065 -6.306 1.00 1.00 N ATOM 239 CA LYS A 15 7.094 -6.804 -5.029 1.00 1.00 C ATOM 240 C LYS A 15 8.280 -6.540 -4.100 1.00 1.00 C ATOM 241 O LYS A 15 8.230 -6.815 -2.918 1.00 1.00 O ATOM 242 CB LYS A 15 6.993 -8.303 -5.319 1.00 1.00 C ATOM 243 CG LYS A 15 8.263 -8.776 -6.032 1.00 1.00 C ATOM 244 CD LYS A 15 8.010 -10.142 -6.677 1.00 1.00 C ATOM 245 CE LYS A 15 7.467 -11.112 -5.626 1.00 1.00 C ATOM 246 NZ LYS A 15 8.254 -10.973 -4.368 1.00 1.00 N ATOM 0 H LYS A 15 7.591 -6.641 -7.097 1.00 1.00 H new ATOM 0 HA LYS A 15 6.173 -6.467 -4.553 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.859 -8.855 -4.389 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.119 -8.506 -5.938 1.00 1.00 H new ATOM 0 HG2 LYS A 15 8.557 -8.052 -6.792 1.00 1.00 H new ATOM 0 HG3 LYS A 15 9.087 -8.845 -5.322 1.00 1.00 H new ATOM 0 HD2 LYS A 15 7.299 -10.042 -7.497 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.935 -10.531 -7.103 1.00 1.00 H new ATOM 0 HE2 LYS A 15 6.414 -10.905 -5.434 1.00 1.00 H new ATOM 0 HE3 LYS A 15 7.528 -12.136 -5.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 8.242 -11.875 -3.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 9.236 -10.719 -4.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 7.834 -10.228 -3.776 1.00 1.00 H new ATOM 260 N LYS A 16 9.348 -6.008 -4.631 1.00 1.00 N ATOM 261 CA LYS A 16 10.550 -5.713 -3.797 1.00 1.00 C ATOM 262 C LYS A 16 10.918 -4.238 -3.968 1.00 1.00 C ATOM 263 O LYS A 16 11.945 -3.903 -4.523 1.00 1.00 O ATOM 264 CB LYS A 16 11.718 -6.590 -4.254 1.00 1.00 C ATOM 265 CG LYS A 16 11.809 -6.576 -5.785 1.00 1.00 C ATOM 266 CD LYS A 16 12.834 -7.614 -6.253 1.00 1.00 C ATOM 267 CE LYS A 16 14.252 -7.088 -6.014 1.00 1.00 C ATOM 268 NZ LYS A 16 15.232 -7.981 -6.697 1.00 1.00 N ATOM 0 H LYS A 16 9.440 -5.763 -5.617 1.00 1.00 H new ATOM 0 HA LYS A 16 10.336 -5.922 -2.749 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.650 -6.225 -3.822 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.580 -7.611 -3.898 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.833 -6.794 -6.219 1.00 1.00 H new ATOM 0 HG3 LYS A 16 12.098 -5.584 -6.132 1.00 1.00 H new ATOM 0 HD2 LYS A 16 12.688 -8.551 -5.715 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.690 -7.829 -7.312 1.00 1.00 H new ATOM 0 HE2 LYS A 16 14.343 -6.071 -6.394 1.00 1.00 H new ATOM 0 HE3 LYS A 16 14.462 -7.049 -4.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 16.196 -7.626 -6.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 15.150 -8.944 -6.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 15.035 -7.996 -7.718 1.00 1.00 H new ATOM 282 N VAL A 17 10.080 -3.353 -3.502 1.00 1.00 N ATOM 283 CA VAL A 17 10.372 -1.898 -3.647 1.00 1.00 C ATOM 284 C VAL A 17 11.762 -1.584 -3.125 1.00 1.00 C ATOM 285 O VAL A 17 12.392 -2.381 -2.460 1.00 1.00 O ATOM 286 CB VAL A 17 9.366 -1.078 -2.841 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.961 -1.325 -3.375 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.439 -1.485 -1.364 1.00 1.00 C ATOM 0 H VAL A 17 9.205 -3.574 -3.027 1.00 1.00 H new ATOM 0 HA VAL A 17 10.305 -1.644 -4.705 1.00 1.00 H new ATOM 0 HB VAL A 17 9.604 -0.018 -2.934 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.245 -0.739 -2.799 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.913 -1.029 -4.423 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.719 -2.384 -3.286 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.721 -0.900 -0.789 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.204 -2.545 -1.267 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.444 -1.300 -0.985 1.00 1.00 H new ATOM 298 N LYS A 18 12.225 -0.403 -3.407 1.00 1.00 N ATOM 299 CA LYS A 18 13.563 0.013 -2.917 1.00 1.00 C ATOM 300 C LYS A 18 13.353 0.880 -1.675 1.00 1.00 C ATOM 301 O LYS A 18 13.672 2.051 -1.654 1.00 1.00 O ATOM 302 CB LYS A 18 14.303 0.804 -4.008 1.00 1.00 C ATOM 303 CG LYS A 18 13.297 1.428 -4.984 1.00 1.00 C ATOM 304 CD LYS A 18 12.408 2.432 -4.245 1.00 1.00 C ATOM 305 CE LYS A 18 11.702 3.334 -5.259 1.00 1.00 C ATOM 306 NZ LYS A 18 12.718 4.099 -6.036 1.00 1.00 N ATOM 0 H LYS A 18 11.730 0.297 -3.960 1.00 1.00 H new ATOM 0 HA LYS A 18 14.169 -0.858 -2.670 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.911 1.585 -3.552 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.983 0.145 -4.547 1.00 1.00 H new ATOM 0 HG2 LYS A 18 13.826 1.927 -5.796 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.683 0.648 -5.435 1.00 1.00 H new ATOM 0 HD2 LYS A 18 11.672 1.904 -3.638 1.00 1.00 H new ATOM 0 HD3 LYS A 18 13.010 3.034 -3.564 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.091 2.733 -5.932 1.00 1.00 H new ATOM 0 HE3 LYS A 18 11.029 4.020 -4.745 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.362 5.058 -6.223 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.601 4.158 -5.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 12.901 3.616 -6.938 1.00 1.00 H new ATOM 320 N CYS A 19 12.794 0.298 -0.649 1.00 1.00 N ATOM 321 CA CYS A 19 12.517 1.048 0.610 1.00 1.00 C ATOM 322 C CYS A 19 13.567 2.143 0.837 1.00 1.00 C ATOM 323 O CYS A 19 13.274 3.198 1.371 1.00 1.00 O ATOM 324 CB CYS A 19 12.551 0.072 1.786 1.00 1.00 C ATOM 325 SG CYS A 19 11.033 -0.910 1.792 1.00 1.00 S ATOM 0 H CYS A 19 12.513 -0.682 -0.630 1.00 1.00 H new ATOM 0 HA CYS A 19 11.537 1.518 0.530 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.420 -0.581 1.706 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.648 0.618 2.724 1.00 1.00 H new ATOM 330 N ASP A 20 14.787 1.901 0.441 1.00 1.00 N ATOM 331 CA ASP A 20 15.856 2.918 0.641 1.00 1.00 C ATOM 332 C ASP A 20 15.368 4.280 0.150 1.00 1.00 C ATOM 333 O ASP A 20 15.568 5.289 0.794 1.00 1.00 O ATOM 334 CB ASP A 20 17.104 2.507 -0.144 1.00 1.00 C ATOM 335 CG ASP A 20 18.148 3.623 -0.070 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.499 4.006 1.034 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.577 4.077 -1.118 1.00 1.00 O ATOM 0 H ASP A 20 15.089 1.040 -0.014 1.00 1.00 H new ATOM 0 HA ASP A 20 16.099 2.984 1.702 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.515 1.583 0.264 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.843 2.308 -1.183 1.00 1.00 H new ATOM 342 N VAL A 21 14.720 4.315 -0.981 1.00 1.00 N ATOM 343 CA VAL A 21 14.214 5.612 -1.510 1.00 1.00 C ATOM 344 C VAL A 21 12.706 5.698 -1.268 1.00 1.00 C ATOM 345 O VAL A 21 12.156 6.769 -1.112 1.00 1.00 O ATOM 346 CB VAL A 21 14.503 5.695 -3.009 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.504 7.160 -3.453 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.872 5.074 -3.296 1.00 1.00 C ATOM 0 H VAL A 21 14.519 3.501 -1.562 1.00 1.00 H new ATOM 0 HA VAL A 21 14.711 6.439 -1.002 1.00 1.00 H new ATOM 0 HB VAL A 21 13.733 5.153 -3.558 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.710 7.216 -4.522 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.529 7.603 -3.248 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.273 7.705 -2.906 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.081 5.132 -4.364 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.640 5.617 -2.746 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.871 4.030 -2.982 1.00 1.00 H new ATOM 358 N GLU A 22 12.033 4.577 -1.218 1.00 1.00 N ATOM 359 CA GLU A 22 10.566 4.608 -0.968 1.00 1.00 C ATOM 360 C GLU A 22 10.325 5.266 0.391 1.00 1.00 C ATOM 361 O GLU A 22 9.206 5.552 0.770 1.00 1.00 O ATOM 362 CB GLU A 22 10.009 3.175 -0.964 1.00 1.00 C ATOM 363 CG GLU A 22 8.711 3.119 -1.777 1.00 1.00 C ATOM 364 CD GLU A 22 9.031 3.284 -3.264 1.00 1.00 C ATOM 365 OE1 GLU A 22 9.341 2.289 -3.898 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.961 4.404 -3.743 1.00 1.00 O ATOM 0 H GLU A 22 12.436 3.648 -1.339 1.00 1.00 H new ATOM 0 HA GLU A 22 10.062 5.174 -1.751 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.743 2.489 -1.386 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.822 2.851 0.060 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.204 2.169 -1.607 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.031 3.906 -1.451 1.00 1.00 H new ATOM 373 N MET A 23 11.380 5.504 1.124 1.00 1.00 N ATOM 374 CA MET A 23 11.247 6.145 2.465 1.00 1.00 C ATOM 375 C MET A 23 12.205 7.335 2.558 1.00 1.00 C ATOM 376 O MET A 23 11.892 8.351 3.143 1.00 1.00 O ATOM 377 CB MET A 23 11.604 5.131 3.552 1.00 1.00 C ATOM 378 CG MET A 23 10.737 3.883 3.394 1.00 1.00 C ATOM 379 SD MET A 23 11.171 2.686 4.680 1.00 1.00 S ATOM 380 CE MET A 23 10.643 3.672 6.104 1.00 1.00 C ATOM 0 H MET A 23 12.336 5.280 0.849 1.00 1.00 H new ATOM 0 HA MET A 23 10.221 6.486 2.602 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.659 4.865 3.483 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.450 5.570 4.538 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.682 4.147 3.468 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.887 3.445 2.407 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.366 3.009 6.923 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.460 4.319 6.421 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.784 4.282 5.825 1.00 1.00 H new ATOM 390 N ALA A 24 13.377 7.213 1.996 1.00 1.00 N ATOM 391 CA ALA A 24 14.349 8.339 2.066 1.00 1.00 C ATOM 392 C ALA A 24 14.025 9.373 0.987 1.00 1.00 C ATOM 393 O ALA A 24 14.711 10.366 0.844 1.00 1.00 O ATOM 394 CB ALA A 24 15.765 7.801 1.855 1.00 1.00 C ATOM 0 H ALA A 24 13.701 6.386 1.494 1.00 1.00 H new ATOM 0 HA ALA A 24 14.282 8.814 3.045 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.478 8.624 1.906 1.00 1.00 H new ATOM 0 HB2 ALA A 24 15.997 7.072 2.631 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.831 7.324 0.877 1.00 1.00 H new ATOM 400 N LYS A 25 12.989 9.151 0.222 1.00 1.00 N ATOM 401 CA LYS A 25 12.636 10.131 -0.847 1.00 1.00 C ATOM 402 C LYS A 25 12.316 11.492 -0.209 1.00 1.00 C ATOM 403 O LYS A 25 13.073 11.991 0.600 1.00 1.00 O ATOM 404 CB LYS A 25 11.443 9.624 -1.675 1.00 1.00 C ATOM 405 CG LYS A 25 10.400 8.931 -0.781 1.00 1.00 C ATOM 406 CD LYS A 25 9.622 7.891 -1.603 1.00 1.00 C ATOM 407 CE LYS A 25 8.510 8.579 -2.403 1.00 1.00 C ATOM 408 NZ LYS A 25 8.383 7.924 -3.737 1.00 1.00 N ATOM 0 H LYS A 25 12.375 8.339 0.290 1.00 1.00 H new ATOM 0 HA LYS A 25 13.485 10.245 -1.521 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.979 10.460 -2.199 1.00 1.00 H new ATOM 0 HB3 LYS A 25 11.795 8.927 -2.436 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.893 8.447 0.062 1.00 1.00 H new ATOM 0 HG3 LYS A 25 9.713 9.669 -0.367 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.299 7.370 -2.280 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.193 7.139 -0.941 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.565 8.516 -1.863 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.737 9.638 -2.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.629 8.389 -4.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 9.283 8.007 -4.251 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.148 6.919 -3.609 1.00 1.00 H new ATOM 422 N ALA A 26 11.218 12.112 -0.573 1.00 1.00 N ATOM 423 CA ALA A 26 10.889 13.452 0.009 1.00 1.00 C ATOM 424 C ALA A 26 9.547 13.419 0.750 1.00 1.00 C ATOM 425 O ALA A 26 9.356 14.126 1.720 1.00 1.00 O ATOM 426 CB ALA A 26 10.810 14.480 -1.121 1.00 1.00 C ATOM 0 H ALA A 26 10.540 11.751 -1.244 1.00 1.00 H new ATOM 0 HA ALA A 26 11.670 13.722 0.720 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.571 15.459 -0.706 1.00 1.00 H new ATOM 0 HB2 ALA A 26 11.769 14.529 -1.636 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.034 14.186 -1.827 1.00 1.00 H new ATOM 432 N LEU A 27 8.605 12.635 0.300 1.00 1.00 N ATOM 433 CA LEU A 27 7.279 12.611 0.992 1.00 1.00 C ATOM 434 C LEU A 27 7.354 11.751 2.259 1.00 1.00 C ATOM 435 O LEU A 27 6.409 11.672 3.018 1.00 1.00 O ATOM 436 CB LEU A 27 6.201 12.077 0.031 1.00 1.00 C ATOM 437 CG LEU A 27 6.132 10.540 0.077 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.258 10.068 1.256 1.00 1.00 C ATOM 439 CD2 LEU A 27 5.529 10.029 -1.236 1.00 1.00 C ATOM 0 H LEU A 27 8.691 12.016 -0.506 1.00 1.00 H new ATOM 0 HA LEU A 27 7.011 13.625 1.288 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.231 12.496 0.298 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.421 12.404 -0.985 1.00 1.00 H new ATOM 0 HG LEU A 27 7.139 10.145 0.211 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.223 8.979 1.270 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.684 10.429 2.192 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.248 10.462 1.141 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.476 8.941 -1.213 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.526 10.438 -1.360 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.155 10.344 -2.071 1.00 1.00 H new ATOM 451 N PHE A 28 8.473 11.119 2.502 1.00 1.00 N ATOM 452 CA PHE A 28 8.610 10.272 3.730 1.00 1.00 C ATOM 453 C PHE A 28 9.645 10.901 4.671 1.00 1.00 C ATOM 454 O PHE A 28 9.347 11.208 5.806 1.00 1.00 O ATOM 455 CB PHE A 28 9.061 8.865 3.326 1.00 1.00 C ATOM 456 CG PHE A 28 7.862 8.057 2.889 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.982 7.533 3.845 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.629 7.834 1.528 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.871 6.786 3.436 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.517 7.087 1.120 1.00 1.00 C ATOM 461 CZ PHE A 28 5.638 6.563 2.074 1.00 1.00 C ATOM 0 H PHE A 28 9.299 11.151 1.905 1.00 1.00 H new ATOM 0 HA PHE A 28 7.651 10.210 4.244 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.788 8.923 2.516 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.556 8.376 4.165 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.161 7.705 4.896 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.307 8.238 0.791 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.193 6.381 4.172 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.338 6.915 0.069 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.780 5.987 1.760 1.00 1.00 H new ATOM 471 N ASP A 29 10.853 11.094 4.202 1.00 1.00 N ATOM 472 CA ASP A 29 11.924 11.710 5.053 1.00 1.00 C ATOM 473 C ASP A 29 12.655 10.629 5.861 1.00 1.00 C ATOM 474 O ASP A 29 12.927 10.794 7.034 1.00 1.00 O ATOM 475 CB ASP A 29 11.318 12.750 6.010 1.00 1.00 C ATOM 476 CG ASP A 29 12.368 13.813 6.343 1.00 1.00 C ATOM 477 OD1 ASP A 29 12.846 14.456 5.423 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.675 13.967 7.514 1.00 1.00 O ATOM 0 H ASP A 29 11.148 10.849 3.257 1.00 1.00 H new ATOM 0 HA ASP A 29 12.638 12.206 4.396 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.446 13.216 5.552 1.00 1.00 H new ATOM 0 HB3 ASP A 29 10.976 12.263 6.923 1.00 1.00 H new ATOM 483 N CYS A 30 12.992 9.534 5.235 1.00 1.00 N ATOM 484 CA CYS A 30 13.727 8.448 5.951 1.00 1.00 C ATOM 485 C CYS A 30 13.011 8.069 7.254 1.00 1.00 C ATOM 486 O CYS A 30 13.526 8.283 8.333 1.00 1.00 O ATOM 487 CB CYS A 30 15.146 8.928 6.284 1.00 1.00 C ATOM 488 SG CYS A 30 16.225 8.704 4.847 1.00 1.00 S ATOM 0 H CYS A 30 12.790 9.343 4.254 1.00 1.00 H new ATOM 0 HA CYS A 30 13.764 7.573 5.303 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.125 9.979 6.574 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.538 8.370 7.135 1.00 1.00 H new ATOM 493 N LYS A 31 11.841 7.496 7.173 1.00 1.00 N ATOM 494 CA LYS A 31 11.128 7.099 8.424 1.00 1.00 C ATOM 495 C LYS A 31 11.800 5.854 9.013 1.00 1.00 C ATOM 496 O LYS A 31 13.010 5.756 9.067 1.00 1.00 O ATOM 497 CB LYS A 31 9.664 6.774 8.113 1.00 1.00 C ATOM 498 CG LYS A 31 9.032 7.900 7.286 1.00 1.00 C ATOM 499 CD LYS A 31 9.070 9.229 8.051 1.00 1.00 C ATOM 500 CE LYS A 31 8.470 9.057 9.451 1.00 1.00 C ATOM 501 NZ LYS A 31 7.997 10.378 9.953 1.00 1.00 N ATOM 0 H LYS A 31 11.350 7.286 6.304 1.00 1.00 H new ATOM 0 HA LYS A 31 11.171 7.923 9.136 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.602 5.833 7.566 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.109 6.640 9.042 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.564 8.005 6.340 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.000 7.644 7.045 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.099 9.581 8.130 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.514 9.989 7.501 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.641 8.350 9.419 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.216 8.643 10.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.590 10.263 10.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.798 11.039 9.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.273 10.755 9.309 1.00 1.00 H new ATOM 515 N LYS A 32 11.020 4.901 9.451 1.00 1.00 N ATOM 516 CA LYS A 32 11.604 3.656 10.036 1.00 1.00 C ATOM 517 C LYS A 32 10.738 2.454 9.644 1.00 1.00 C ATOM 518 O LYS A 32 11.229 1.357 9.464 1.00 1.00 O ATOM 519 CB LYS A 32 11.646 3.778 11.561 1.00 1.00 C ATOM 520 CG LYS A 32 10.224 3.943 12.103 1.00 1.00 C ATOM 521 CD LYS A 32 10.278 4.219 13.608 1.00 1.00 C ATOM 522 CE LYS A 32 10.910 3.027 14.331 1.00 1.00 C ATOM 523 NZ LYS A 32 10.470 3.021 15.755 1.00 1.00 N ATOM 0 H LYS A 32 10.001 4.931 9.429 1.00 1.00 H new ATOM 0 HA LYS A 32 12.616 3.516 9.655 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.110 2.892 11.994 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.258 4.632 11.851 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.721 4.763 11.590 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.643 3.042 11.909 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.857 5.122 13.801 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.273 4.397 13.991 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.618 2.096 13.845 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.997 3.088 14.275 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.899 2.211 16.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.770 3.904 16.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.434 2.943 15.798 1.00 1.00 H new ATOM 537 N THR A 33 9.454 2.654 9.507 1.00 1.00 N ATOM 538 CA THR A 33 8.551 1.530 9.121 1.00 1.00 C ATOM 539 C THR A 33 7.643 1.996 7.983 1.00 1.00 C ATOM 540 O THR A 33 7.148 3.105 7.991 1.00 1.00 O ATOM 541 CB THR A 33 7.695 1.127 10.324 1.00 1.00 C ATOM 542 OG1 THR A 33 6.814 0.078 9.947 1.00 1.00 O ATOM 543 CG2 THR A 33 6.883 2.332 10.802 1.00 1.00 C ATOM 0 H THR A 33 8.990 3.551 9.646 1.00 1.00 H new ATOM 0 HA THR A 33 9.142 0.673 8.797 1.00 1.00 H new ATOM 0 HB THR A 33 8.342 0.785 11.132 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.267 -0.182 10.717 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.274 2.044 11.659 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.560 3.135 11.092 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.235 2.677 9.996 1.00 1.00 H new ATOM 551 N ASN A 34 7.425 1.167 6.999 1.00 1.00 N ATOM 552 CA ASN A 34 6.552 1.588 5.865 1.00 1.00 C ATOM 553 C ASN A 34 5.890 0.365 5.227 1.00 1.00 C ATOM 554 O ASN A 34 6.408 -0.732 5.274 1.00 1.00 O ATOM 555 CB ASN A 34 7.403 2.312 4.818 1.00 1.00 C ATOM 556 CG ASN A 34 6.506 3.191 3.946 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.348 2.883 3.742 1.00 1.00 O ATOM 558 ND2 ASN A 34 6.994 4.280 3.418 1.00 1.00 N ATOM 0 H ASN A 34 7.809 0.225 6.930 1.00 1.00 H new ATOM 0 HA ASN A 34 5.775 2.255 6.238 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.160 2.923 5.309 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.931 1.587 4.199 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.404 4.873 2.834 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.966 4.539 3.589 1.00 1.00 H new ATOM 565 N THR A 35 4.743 0.555 4.630 1.00 1.00 N ATOM 566 CA THR A 35 4.029 -0.582 3.982 1.00 1.00 C ATOM 567 C THR A 35 3.434 -0.114 2.652 1.00 1.00 C ATOM 568 O THR A 35 3.145 1.053 2.469 1.00 1.00 O ATOM 569 CB THR A 35 2.904 -1.067 4.900 1.00 1.00 C ATOM 570 OG1 THR A 35 3.452 -1.460 6.150 1.00 1.00 O ATOM 571 CG2 THR A 35 2.192 -2.257 4.256 1.00 1.00 C ATOM 0 H THR A 35 4.268 1.455 4.564 1.00 1.00 H new ATOM 0 HA THR A 35 4.729 -1.398 3.803 1.00 1.00 H new ATOM 0 HB THR A 35 2.188 -0.260 5.054 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.733 -1.769 6.740 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.392 -2.600 4.911 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.771 -1.954 3.297 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.905 -3.066 4.099 1.00 1.00 H new ATOM 579 N PHE A 36 3.237 -1.012 1.726 1.00 1.00 N ATOM 580 CA PHE A 36 2.645 -0.613 0.411 1.00 1.00 C ATOM 581 C PHE A 36 1.882 -1.805 -0.168 1.00 1.00 C ATOM 582 O PHE A 36 1.881 -2.872 0.402 1.00 1.00 O ATOM 583 CB PHE A 36 3.741 -0.205 -0.583 1.00 1.00 C ATOM 584 CG PHE A 36 4.941 0.367 0.131 1.00 1.00 C ATOM 585 CD1 PHE A 36 4.963 1.717 0.493 1.00 1.00 C ATOM 586 CD2 PHE A 36 6.046 -0.447 0.398 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.093 2.252 1.121 1.00 1.00 C ATOM 588 CE2 PHE A 36 7.170 0.085 1.032 1.00 1.00 C ATOM 589 CZ PHE A 36 7.196 1.434 1.391 1.00 1.00 C ATOM 0 H PHE A 36 3.459 -2.003 1.820 1.00 1.00 H new ATOM 0 HA PHE A 36 1.981 0.236 0.571 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.043 -1.072 -1.171 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.345 0.532 -1.282 1.00 1.00 H new ATOM 0 HD1 PHE A 36 4.109 2.346 0.288 1.00 1.00 H new ATOM 0 HD2 PHE A 36 6.030 -1.489 0.113 1.00 1.00 H new ATOM 0 HE1 PHE A 36 6.114 3.296 1.397 1.00 1.00 H new ATOM 0 HE2 PHE A 36 8.020 -0.547 1.245 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.068 1.846 1.877 1.00 1.00 H new ATOM 599 N ILE A 37 1.235 -1.632 -1.296 1.00 1.00 N ATOM 600 CA ILE A 37 0.473 -2.754 -1.915 1.00 1.00 C ATOM 601 C ILE A 37 0.957 -2.968 -3.352 1.00 1.00 C ATOM 602 O ILE A 37 1.128 -2.024 -4.110 1.00 1.00 O ATOM 603 CB ILE A 37 -1.021 -2.408 -1.920 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.479 -2.038 -0.491 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.820 -3.617 -2.418 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.549 -0.942 -0.543 1.00 1.00 C ATOM 0 H ILE A 37 1.204 -0.754 -1.815 1.00 1.00 H new ATOM 0 HA ILE A 37 0.633 -3.667 -1.342 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.192 -1.558 -2.581 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.876 -2.920 0.011 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.626 -1.695 0.095 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.883 -3.374 -2.423 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.502 -3.872 -3.429 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.645 -4.466 -1.757 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.862 -0.691 0.470 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.138 -0.055 -1.026 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.408 -1.299 -1.111 1.00 1.00 H new ATOM 618 N TYR A 38 1.185 -4.202 -3.733 1.00 1.00 N ATOM 619 CA TYR A 38 1.654 -4.482 -5.125 1.00 1.00 C ATOM 620 C TYR A 38 0.474 -4.977 -5.962 1.00 1.00 C ATOM 621 O TYR A 38 0.095 -6.130 -5.895 1.00 1.00 O ATOM 622 CB TYR A 38 2.742 -5.558 -5.102 1.00 1.00 C ATOM 623 CG TYR A 38 3.123 -5.923 -6.517 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.865 -5.026 -7.293 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.732 -7.156 -7.053 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.217 -5.362 -8.607 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.084 -7.492 -8.365 1.00 1.00 C ATOM 628 CZ TYR A 38 3.826 -6.595 -9.143 1.00 1.00 C ATOM 629 OH TYR A 38 4.173 -6.926 -10.436 1.00 1.00 O ATOM 0 H TYR A 38 1.067 -5.025 -3.142 1.00 1.00 H new ATOM 0 HA TYR A 38 2.061 -3.569 -5.559 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.616 -5.194 -4.562 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.384 -6.440 -4.572 1.00 1.00 H new ATOM 0 HD1 TYR A 38 4.166 -4.075 -6.879 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.159 -7.848 -6.454 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.790 -4.670 -9.206 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.783 -8.444 -8.778 1.00 1.00 H new ATOM 0 HH TYR A 38 3.824 -7.816 -10.651 1.00 1.00 H new ATOM 639 N ALA A 39 -0.113 -4.119 -6.750 1.00 1.00 N ATOM 640 CA ALA A 39 -1.269 -4.550 -7.586 1.00 1.00 C ATOM 641 C ALA A 39 -1.443 -3.587 -8.761 1.00 1.00 C ATOM 642 O ALA A 39 -1.018 -2.449 -8.713 1.00 1.00 O ATOM 643 CB ALA A 39 -2.541 -4.552 -6.735 1.00 1.00 C ATOM 0 H ALA A 39 0.157 -3.141 -6.851 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.084 -5.554 -7.967 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.387 -4.867 -7.346 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.419 -5.242 -5.900 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.724 -3.548 -6.352 1.00 1.00 H new ATOM 649 N LEU A 40 -2.067 -4.034 -9.817 1.00 1.00 N ATOM 650 CA LEU A 40 -2.273 -3.148 -10.995 1.00 1.00 C ATOM 651 C LEU A 40 -3.440 -2.188 -10.697 1.00 1.00 C ATOM 652 O LEU A 40 -4.337 -2.516 -9.944 1.00 1.00 O ATOM 653 CB LEU A 40 -2.538 -4.029 -12.232 1.00 1.00 C ATOM 654 CG LEU A 40 -4.039 -4.261 -12.445 1.00 1.00 C ATOM 655 CD1 LEU A 40 -4.582 -3.191 -13.388 1.00 1.00 C ATOM 656 CD2 LEU A 40 -4.258 -5.642 -13.074 1.00 1.00 C ATOM 0 H LEU A 40 -2.443 -4.977 -9.913 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.390 -2.542 -11.199 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -2.113 -3.554 -13.116 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -2.034 -4.988 -12.112 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.556 -4.209 -11.487 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -5.649 -3.351 -13.543 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -4.422 -2.205 -12.950 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -4.063 -3.252 -14.345 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -5.325 -5.808 -13.226 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.743 -5.691 -14.034 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.862 -6.411 -12.411 1.00 1.00 H new ATOM 668 N PRO A 41 -3.414 -1.000 -11.252 1.00 1.00 N ATOM 669 CA PRO A 41 -4.472 0.033 -11.008 1.00 1.00 C ATOM 670 C PRO A 41 -5.889 -0.453 -11.349 1.00 1.00 C ATOM 671 O PRO A 41 -6.781 -0.402 -10.526 1.00 1.00 O ATOM 672 CB PRO A 41 -4.070 1.211 -11.913 1.00 1.00 C ATOM 673 CG PRO A 41 -3.067 0.662 -12.878 1.00 1.00 C ATOM 674 CD PRO A 41 -2.381 -0.505 -12.173 1.00 1.00 C ATOM 0 HA PRO A 41 -4.521 0.294 -9.951 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.936 1.614 -12.437 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.644 2.026 -11.328 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -3.553 0.330 -13.795 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -2.342 1.425 -13.160 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -2.070 -1.275 -12.879 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.487 -0.183 -11.639 1.00 1.00 H new ATOM 682 N GLY A 42 -6.108 -0.912 -12.550 1.00 1.00 N ATOM 683 CA GLY A 42 -7.475 -1.383 -12.923 1.00 1.00 C ATOM 684 C GLY A 42 -8.023 -2.305 -11.830 1.00 1.00 C ATOM 685 O GLY A 42 -9.159 -2.193 -11.426 1.00 1.00 O ATOM 0 H GLY A 42 -5.406 -0.982 -13.286 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.139 -0.529 -13.058 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.440 -1.913 -13.875 1.00 1.00 H new ATOM 689 N ARG A 43 -7.218 -3.213 -11.349 1.00 1.00 N ATOM 690 CA ARG A 43 -7.683 -4.147 -10.284 1.00 1.00 C ATOM 691 C ARG A 43 -7.922 -3.375 -8.983 1.00 1.00 C ATOM 692 O ARG A 43 -8.781 -3.722 -8.197 1.00 1.00 O ATOM 693 CB ARG A 43 -6.617 -5.219 -10.046 1.00 1.00 C ATOM 694 CG ARG A 43 -7.181 -6.307 -9.130 1.00 1.00 C ATOM 695 CD ARG A 43 -6.230 -7.506 -9.115 1.00 1.00 C ATOM 696 NE ARG A 43 -4.822 -7.025 -9.206 1.00 1.00 N ATOM 697 CZ ARG A 43 -3.866 -7.860 -9.505 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.140 -9.117 -9.721 1.00 1.00 N ATOM 699 NH2 ARG A 43 -2.634 -7.438 -9.586 1.00 1.00 N ATOM 0 H ARG A 43 -6.253 -3.349 -11.650 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.614 -4.617 -10.601 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -6.306 -5.654 -10.996 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.731 -4.772 -9.594 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -7.308 -5.917 -8.120 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -8.167 -6.616 -9.478 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -6.370 -8.083 -8.201 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -6.453 -8.171 -9.949 1.00 1.00 H new ATOM 0 HE ARG A 43 -4.606 -6.043 -9.034 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -5.103 -9.448 -9.656 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -3.391 -9.769 -9.955 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.419 -6.456 -9.415 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.886 -8.091 -9.820 1.00 1.00 H new ATOM 713 N VAL A 44 -7.170 -2.335 -8.744 1.00 1.00 N ATOM 714 CA VAL A 44 -7.358 -1.553 -7.489 1.00 1.00 C ATOM 715 C VAL A 44 -8.633 -0.717 -7.596 1.00 1.00 C ATOM 716 O VAL A 44 -9.537 -0.841 -6.795 1.00 1.00 O ATOM 717 CB VAL A 44 -6.155 -0.631 -7.275 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.431 0.305 -6.095 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.915 -1.475 -6.974 1.00 1.00 C ATOM 0 H VAL A 44 -6.435 -1.993 -9.363 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.443 -2.236 -6.644 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.986 -0.040 -8.175 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.574 0.961 -5.943 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.315 0.906 -6.306 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.600 -0.285 -5.194 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -4.057 -0.820 -6.821 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -5.086 -2.065 -6.073 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.717 -2.143 -7.813 1.00 1.00 H new ATOM 729 N LYS A 45 -8.716 0.131 -8.583 1.00 1.00 N ATOM 730 CA LYS A 45 -9.939 0.967 -8.740 1.00 1.00 C ATOM 731 C LYS A 45 -11.130 0.052 -9.024 1.00 1.00 C ATOM 732 O LYS A 45 -12.273 0.421 -8.841 1.00 1.00 O ATOM 733 CB LYS A 45 -9.750 1.942 -9.904 1.00 1.00 C ATOM 734 CG LYS A 45 -9.671 1.161 -11.218 1.00 1.00 C ATOM 735 CD LYS A 45 -9.116 2.067 -12.321 1.00 1.00 C ATOM 736 CE LYS A 45 -9.944 3.352 -12.396 1.00 1.00 C ATOM 737 NZ LYS A 45 -9.687 4.031 -13.697 1.00 1.00 N ATOM 0 H LYS A 45 -7.992 0.281 -9.286 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.118 1.534 -7.827 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.579 2.649 -9.938 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.840 2.525 -9.760 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -9.032 0.287 -11.095 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.660 0.796 -11.496 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -8.072 2.306 -12.118 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -9.143 1.548 -13.279 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -11.005 3.121 -12.297 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.684 4.014 -11.570 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -10.249 4.905 -13.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -8.676 4.264 -13.773 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -9.956 3.399 -14.478 1.00 1.00 H new ATOM 751 N ALA A 46 -10.865 -1.145 -9.471 1.00 1.00 N ATOM 752 CA ALA A 46 -11.967 -2.098 -9.773 1.00 1.00 C ATOM 753 C ALA A 46 -12.611 -2.566 -8.464 1.00 1.00 C ATOM 754 O ALA A 46 -13.818 -2.605 -8.335 1.00 1.00 O ATOM 755 CB ALA A 46 -11.394 -3.305 -10.521 1.00 1.00 C ATOM 0 H ALA A 46 -9.926 -1.505 -9.641 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.720 -1.607 -10.390 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -12.196 -4.008 -10.746 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.933 -2.972 -11.451 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.645 -3.796 -9.900 1.00 1.00 H new ATOM 761 N LEU A 47 -11.814 -2.924 -7.493 1.00 1.00 N ATOM 762 CA LEU A 47 -12.384 -3.391 -6.197 1.00 1.00 C ATOM 763 C LEU A 47 -13.208 -2.263 -5.569 1.00 1.00 C ATOM 764 O LEU A 47 -14.049 -2.493 -4.723 1.00 1.00 O ATOM 765 CB LEU A 47 -11.240 -3.786 -5.247 1.00 1.00 C ATOM 766 CG LEU A 47 -11.011 -5.301 -5.297 1.00 1.00 C ATOM 767 CD1 LEU A 47 -10.443 -5.694 -6.662 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.018 -5.698 -4.201 1.00 1.00 C ATOM 0 H LEU A 47 -10.795 -2.913 -7.541 1.00 1.00 H new ATOM 0 HA LEU A 47 -13.025 -4.256 -6.369 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -10.326 -3.263 -5.529 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -11.481 -3.480 -4.229 1.00 1.00 H new ATOM 0 HG LEU A 47 -11.959 -5.815 -5.140 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -10.282 -6.772 -6.693 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -11.147 -5.410 -7.444 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -9.495 -5.181 -6.823 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.852 -6.775 -4.233 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -9.072 -5.180 -4.362 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -10.422 -5.422 -3.227 1.00 1.00 H new ATOM 780 N CYS A 48 -12.975 -1.044 -5.975 1.00 1.00 N ATOM 781 CA CYS A 48 -13.749 0.095 -5.399 1.00 1.00 C ATOM 782 C CYS A 48 -14.994 0.347 -6.253 1.00 1.00 C ATOM 783 O CYS A 48 -15.943 0.965 -5.816 1.00 1.00 O ATOM 784 CB CYS A 48 -12.870 1.351 -5.379 1.00 1.00 C ATOM 785 SG CYS A 48 -12.007 1.455 -3.792 1.00 1.00 S ATOM 0 H CYS A 48 -12.283 -0.787 -6.679 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.054 -0.147 -4.381 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.149 1.317 -6.196 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.483 2.240 -5.531 1.00 1.00 H new ATOM 790 N LYS A 49 -15.000 -0.130 -7.466 1.00 1.00 N ATOM 791 CA LYS A 49 -16.181 0.080 -8.343 1.00 1.00 C ATOM 792 C LYS A 49 -17.369 -0.711 -7.782 1.00 1.00 C ATOM 793 O LYS A 49 -17.203 -1.762 -7.194 1.00 1.00 O ATOM 794 CB LYS A 49 -15.828 -0.395 -9.763 1.00 1.00 C ATOM 795 CG LYS A 49 -17.045 -1.044 -10.428 1.00 1.00 C ATOM 796 CD LYS A 49 -16.802 -1.191 -11.935 1.00 1.00 C ATOM 797 CE LYS A 49 -15.821 -2.337 -12.195 1.00 1.00 C ATOM 798 NZ LYS A 49 -16.331 -3.584 -11.556 1.00 1.00 N ATOM 0 H LYS A 49 -14.235 -0.657 -7.887 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.454 1.135 -8.379 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -15.486 0.450 -10.361 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -15.005 -1.109 -9.720 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -17.234 -2.022 -9.985 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.933 -0.437 -10.252 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -17.745 -1.384 -12.447 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -16.404 -0.261 -12.340 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.699 -2.489 -13.267 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -14.839 -2.086 -11.795 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.188 -4.388 -12.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.816 -3.755 -10.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.345 -3.480 -11.352 1.00 1.00 H new ATOM 812 N ASN A 50 -18.563 -0.212 -7.965 1.00 1.00 N ATOM 813 CA ASN A 50 -19.770 -0.925 -7.452 1.00 1.00 C ATOM 814 C ASN A 50 -19.885 -0.730 -5.936 1.00 1.00 C ATOM 815 O ASN A 50 -20.853 -1.135 -5.324 1.00 1.00 O ATOM 816 CB ASN A 50 -19.661 -2.423 -7.774 1.00 1.00 C ATOM 817 CG ASN A 50 -21.063 -3.017 -7.948 1.00 1.00 C ATOM 818 OD1 ASN A 50 -21.850 -2.525 -8.731 1.00 1.00 O ATOM 819 ND2 ASN A 50 -21.407 -4.059 -7.243 1.00 1.00 N ATOM 0 H ASN A 50 -18.755 0.664 -8.451 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.658 -0.516 -7.933 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.079 -2.568 -8.684 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.133 -2.940 -6.972 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -22.338 -4.462 -7.349 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -20.745 -4.471 -6.586 1.00 1.00 H new ATOM 826 N ILE A 51 -18.908 -0.115 -5.324 1.00 1.00 N ATOM 827 CA ILE A 51 -18.974 0.099 -3.850 1.00 1.00 C ATOM 828 C ILE A 51 -19.773 1.367 -3.553 1.00 1.00 C ATOM 829 O ILE A 51 -20.154 2.101 -4.444 1.00 1.00 O ATOM 830 CB ILE A 51 -17.556 0.243 -3.291 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.760 -1.042 -3.560 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.610 0.504 -1.784 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.487 -2.252 -2.962 1.00 1.00 C ATOM 0 H ILE A 51 -18.070 0.247 -5.780 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.463 -0.754 -3.381 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.066 1.084 -3.782 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.631 -1.180 -4.633 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.763 -0.958 -3.128 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.597 0.605 -1.396 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.165 1.423 -1.594 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.107 -0.330 -1.288 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.912 -3.156 -3.160 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.593 -2.118 -1.885 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.474 -2.344 -3.415 1.00 1.00 H new ATOM 845 N ARG A 52 -20.031 1.625 -2.302 1.00 1.00 N ATOM 846 CA ARG A 52 -20.809 2.842 -1.926 1.00 1.00 C ATOM 847 C ARG A 52 -19.851 3.954 -1.495 1.00 1.00 C ATOM 848 O ARG A 52 -18.698 3.973 -1.870 1.00 1.00 O ATOM 849 CB ARG A 52 -21.749 2.505 -0.764 1.00 1.00 C ATOM 850 CG ARG A 52 -22.550 1.244 -1.100 1.00 1.00 C ATOM 851 CD ARG A 52 -23.432 1.503 -2.324 1.00 1.00 C ATOM 852 NE ARG A 52 -24.544 0.512 -2.352 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.476 0.602 -3.261 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.433 1.560 -4.146 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.449 -0.266 -3.285 1.00 1.00 N ATOM 0 H ARG A 52 -19.736 1.043 -1.518 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.391 3.178 -2.785 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.174 2.350 0.149 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.426 3.339 -0.577 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -21.873 0.413 -1.297 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.168 0.957 -0.249 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -23.834 2.516 -2.289 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -22.839 1.427 -3.236 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.577 -0.237 -1.660 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -24.671 2.238 -4.127 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.161 1.631 -4.857 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.481 -1.015 -2.593 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -27.178 -0.196 -3.995 1.00 1.00 H new ATOM 869 N ASP A 53 -20.324 4.881 -0.708 1.00 1.00 N ATOM 870 CA ASP A 53 -19.452 5.999 -0.247 1.00 1.00 C ATOM 871 C ASP A 53 -18.327 5.466 0.629 1.00 1.00 C ATOM 872 O ASP A 53 -17.844 4.364 0.455 1.00 1.00 O ATOM 873 CB ASP A 53 -20.292 6.995 0.555 1.00 1.00 C ATOM 874 CG ASP A 53 -20.767 6.337 1.853 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.316 5.249 1.776 1.00 1.00 O ATOM 876 OD2 ASP A 53 -20.573 6.930 2.901 1.00 1.00 O ATOM 0 H ASP A 53 -21.283 4.912 -0.362 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.018 6.493 -1.116 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -19.703 7.884 0.780 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.149 7.321 -0.034 1.00 1.00 H new ATOM 881 N ASN A 54 -17.898 6.261 1.559 1.00 1.00 N ATOM 882 CA ASN A 54 -16.785 5.846 2.458 1.00 1.00 C ATOM 883 C ASN A 54 -17.219 4.648 3.302 1.00 1.00 C ATOM 884 O ASN A 54 -18.102 4.740 4.131 1.00 1.00 O ATOM 885 CB ASN A 54 -16.418 7.009 3.381 1.00 1.00 C ATOM 886 CG ASN A 54 -17.690 7.587 4.005 1.00 1.00 C ATOM 887 OD1 ASN A 54 -18.200 8.591 3.551 1.00 1.00 O ATOM 888 ND2 ASN A 54 -18.225 6.990 5.034 1.00 1.00 N ATOM 0 H ASN A 54 -18.272 7.192 1.741 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.921 5.567 1.855 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.740 6.667 4.163 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.893 7.781 2.819 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -19.073 7.367 5.458 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -17.796 6.147 5.414 1.00 1.00 H new ATOM 895 N THR A 55 -16.591 3.521 3.096 1.00 1.00 N ATOM 896 CA THR A 55 -16.942 2.305 3.881 1.00 1.00 C ATOM 897 C THR A 55 -15.695 1.428 4.015 1.00 1.00 C ATOM 898 O THR A 55 -14.743 1.573 3.277 1.00 1.00 O ATOM 899 CB THR A 55 -18.049 1.524 3.157 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.805 2.418 2.353 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.969 0.856 4.182 1.00 1.00 C ATOM 0 H THR A 55 -15.845 3.391 2.413 1.00 1.00 H new ATOM 0 HA THR A 55 -17.300 2.593 4.870 1.00 1.00 H new ATOM 0 HB THR A 55 -17.598 0.757 2.528 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.511 1.922 1.888 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.752 0.304 3.663 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.389 0.170 4.799 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.422 1.618 4.816 1.00 1.00 H new ATOM 909 N ASP A 56 -15.689 0.524 4.954 1.00 1.00 N ATOM 910 CA ASP A 56 -14.498 -0.353 5.137 1.00 1.00 C ATOM 911 C ASP A 56 -14.567 -1.533 4.166 1.00 1.00 C ATOM 912 O ASP A 56 -15.498 -2.314 4.191 1.00 1.00 O ATOM 913 CB ASP A 56 -14.470 -0.879 6.574 1.00 1.00 C ATOM 914 CG ASP A 56 -14.609 0.291 7.550 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.353 1.411 7.141 1.00 1.00 O ATOM 916 OD2 ASP A 56 -14.968 0.046 8.690 1.00 1.00 O ATOM 0 H ASP A 56 -16.457 0.354 5.603 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.594 0.223 4.939 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.280 -1.592 6.727 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.537 -1.412 6.759 1.00 1.00 H new ATOM 921 N VAL A 57 -13.585 -1.671 3.314 1.00 1.00 N ATOM 922 CA VAL A 57 -13.584 -2.805 2.343 1.00 1.00 C ATOM 923 C VAL A 57 -12.563 -3.852 2.797 1.00 1.00 C ATOM 924 O VAL A 57 -11.729 -3.594 3.644 1.00 1.00 O ATOM 925 CB VAL A 57 -13.224 -2.283 0.947 1.00 1.00 C ATOM 926 CG1 VAL A 57 -13.843 -0.897 0.755 1.00 1.00 C ATOM 927 CG2 VAL A 57 -11.701 -2.187 0.798 1.00 1.00 C ATOM 0 H VAL A 57 -12.782 -1.046 3.249 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.573 -3.262 2.303 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.611 -2.970 0.195 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -13.591 -0.520 -0.236 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -14.926 -0.966 0.852 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -13.453 -0.216 1.512 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -11.455 -1.815 -0.197 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.304 -1.504 1.549 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.259 -3.174 0.936 1.00 1.00 H new ATOM 937 N LEU A 58 -12.632 -5.034 2.248 1.00 1.00 N ATOM 938 CA LEU A 58 -11.680 -6.110 2.654 1.00 1.00 C ATOM 939 C LEU A 58 -11.299 -6.939 1.423 1.00 1.00 C ATOM 940 O LEU A 58 -12.152 -7.362 0.669 1.00 1.00 O ATOM 941 CB LEU A 58 -12.384 -7.009 3.689 1.00 1.00 C ATOM 942 CG LEU A 58 -11.403 -7.460 4.778 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.253 -8.239 4.145 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.849 -6.241 5.527 1.00 1.00 C ATOM 0 H LEU A 58 -13.308 -5.303 1.533 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.777 -5.679 3.085 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.214 -6.467 4.143 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.807 -7.881 3.191 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.930 -8.102 5.484 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.558 -8.558 4.922 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.647 -9.115 3.629 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.731 -7.602 3.431 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.154 -6.573 6.298 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.329 -5.588 4.826 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.670 -5.694 5.990 1.00 1.00 H new ATOM 956 N SER A 59 -10.029 -7.183 1.201 1.00 1.00 N ATOM 957 CA SER A 59 -9.650 -7.991 0.004 1.00 1.00 C ATOM 958 C SER A 59 -10.413 -9.320 0.044 1.00 1.00 C ATOM 959 O SER A 59 -10.816 -9.785 1.092 1.00 1.00 O ATOM 960 CB SER A 59 -8.136 -8.234 -0.022 1.00 1.00 C ATOM 961 OG SER A 59 -7.880 -9.611 -0.265 1.00 1.00 O ATOM 0 H SER A 59 -9.255 -6.865 1.784 1.00 1.00 H new ATOM 0 HA SER A 59 -9.914 -7.449 -0.904 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.673 -7.625 -0.798 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.692 -7.933 0.927 1.00 1.00 H new ATOM 0 HG SER A 59 -7.232 -9.699 -0.995 1.00 1.00 H new ATOM 967 N ARG A 60 -10.648 -9.916 -1.094 1.00 1.00 N ATOM 968 CA ARG A 60 -11.424 -11.191 -1.128 1.00 1.00 C ATOM 969 C ARG A 60 -10.518 -12.397 -0.865 1.00 1.00 C ATOM 970 O ARG A 60 -10.963 -13.527 -0.911 1.00 1.00 O ATOM 971 CB ARG A 60 -12.076 -11.346 -2.504 1.00 1.00 C ATOM 972 CG ARG A 60 -12.990 -10.150 -2.775 1.00 1.00 C ATOM 973 CD ARG A 60 -13.865 -10.443 -3.995 1.00 1.00 C ATOM 974 NE ARG A 60 -12.998 -10.617 -5.197 1.00 1.00 N ATOM 975 CZ ARG A 60 -12.556 -9.571 -5.839 1.00 1.00 C ATOM 976 NH1 ARG A 60 -12.871 -8.372 -5.430 1.00 1.00 N ATOM 977 NH2 ARG A 60 -11.797 -9.723 -6.890 1.00 1.00 N ATOM 0 H ARG A 60 -10.336 -9.575 -2.003 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.184 -11.152 -0.347 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.309 -11.413 -3.276 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.650 -12.272 -2.544 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.616 -9.952 -1.905 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.393 -9.255 -2.949 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.455 -11.344 -3.825 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.569 -9.626 -4.156 1.00 1.00 H new ATOM 0 HE ARG A 60 -12.751 -11.554 -5.517 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -13.463 -8.253 -4.608 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -12.525 -7.554 -5.932 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -11.550 -10.660 -7.209 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -11.451 -8.905 -7.392 1.00 1.00 H new ATOM 991 N ASP A 61 -9.262 -12.187 -0.592 1.00 1.00 N ATOM 992 CA ASP A 61 -8.372 -13.355 -0.334 1.00 1.00 C ATOM 993 C ASP A 61 -7.020 -12.885 0.194 1.00 1.00 C ATOM 994 O ASP A 61 -6.824 -12.748 1.385 1.00 1.00 O ATOM 995 CB ASP A 61 -8.165 -14.136 -1.634 1.00 1.00 C ATOM 996 CG ASP A 61 -7.221 -15.312 -1.380 1.00 1.00 C ATOM 997 OD1 ASP A 61 -6.043 -15.068 -1.183 1.00 1.00 O ATOM 998 OD2 ASP A 61 -7.694 -16.437 -1.386 1.00 1.00 O ATOM 0 H ASP A 61 -8.816 -11.271 -0.536 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.840 -13.996 0.412 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -9.122 -14.499 -2.009 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.750 -13.482 -2.401 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.078 -12.648 -0.676 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.739 -12.201 -0.207 1.00 1.00 C ATOM 1005 C ALA A 62 -4.101 -11.273 -1.239 1.00 1.00 C ATOM 1006 O ALA A 62 -4.542 -11.175 -2.367 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.840 -13.422 0.002 1.00 1.00 C ATOM 0 H ALA A 62 -6.177 -12.744 -1.687 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.854 -11.661 0.733 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.858 -13.096 0.346 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.286 -14.079 0.749 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.734 -13.961 -0.939 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.056 -10.592 -0.853 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.368 -9.666 -1.794 1.00 1.00 C ATOM 1015 C PHE A 63 -0.918 -9.499 -1.343 1.00 1.00 C ATOM 1016 O PHE A 63 -0.638 -9.338 -0.171 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.075 -8.306 -1.786 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.275 -8.354 -2.704 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -4.133 -8.025 -4.057 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -5.527 -8.727 -2.201 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -5.244 -8.070 -4.908 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -6.638 -8.771 -3.053 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.496 -8.443 -4.406 1.00 1.00 C ATOM 0 H PHE A 63 -2.648 -10.639 0.081 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.396 -10.072 -2.805 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.389 -8.054 -0.773 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.387 -7.525 -2.110 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -3.167 -7.737 -4.444 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -5.636 -8.981 -1.157 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -5.135 -7.817 -5.952 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -7.604 -9.058 -2.666 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.353 -8.478 -5.063 1.00 1.00 H new ATOM 1033 N LEU A 64 0.008 -9.542 -2.261 1.00 1.00 N ATOM 1034 CA LEU A 64 1.441 -9.393 -1.885 1.00 1.00 C ATOM 1035 C LEU A 64 1.763 -7.916 -1.679 1.00 1.00 C ATOM 1036 O LEU A 64 1.681 -7.127 -2.597 1.00 1.00 O ATOM 1037 CB LEU A 64 2.315 -9.948 -3.014 1.00 1.00 C ATOM 1038 CG LEU A 64 3.753 -10.163 -2.516 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.475 -11.131 -3.456 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.507 -8.826 -2.488 1.00 1.00 C ATOM 0 H LEU A 64 -0.167 -9.674 -3.257 1.00 1.00 H new ATOM 0 HA LEU A 64 1.636 -9.939 -0.962 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.902 -10.891 -3.373 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.314 -9.257 -3.857 1.00 1.00 H new ATOM 0 HG LEU A 64 3.723 -10.577 -1.508 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.495 -11.286 -3.105 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.948 -12.085 -3.471 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.497 -10.713 -4.462 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.525 -8.990 -2.134 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.536 -8.404 -3.492 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.996 -8.134 -1.818 1.00 1.00 H new ATOM 1052 N LEU A 65 2.132 -7.530 -0.486 1.00 1.00 N ATOM 1053 CA LEU A 65 2.468 -6.098 -0.243 1.00 1.00 C ATOM 1054 C LEU A 65 3.912 -5.979 0.262 1.00 1.00 C ATOM 1055 O LEU A 65 4.267 -6.564 1.266 1.00 1.00 O ATOM 1056 CB LEU A 65 1.536 -5.482 0.816 1.00 1.00 C ATOM 1057 CG LEU A 65 0.560 -6.512 1.374 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.065 -6.009 2.730 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.627 -6.654 0.413 1.00 1.00 C ATOM 0 H LEU A 65 2.215 -8.141 0.326 1.00 1.00 H new ATOM 0 HA LEU A 65 2.346 -5.565 -1.186 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.132 -5.067 1.629 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.980 -4.655 0.375 1.00 1.00 H new ATOM 0 HG LEU A 65 1.046 -7.481 1.486 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.636 -6.729 3.151 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.912 -5.890 3.405 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.435 -5.049 2.602 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.328 -7.390 0.807 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.129 -5.692 0.311 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.268 -6.981 -0.563 1.00 1.00 H new ATOM 1071 N PRO A 66 4.730 -5.198 -0.398 1.00 1.00 N ATOM 1072 CA PRO A 66 6.134 -4.980 0.037 1.00 1.00 C ATOM 1073 C PRO A 66 6.159 -4.052 1.250 1.00 1.00 C ATOM 1074 O PRO A 66 5.331 -3.172 1.373 1.00 1.00 O ATOM 1075 CB PRO A 66 6.803 -4.325 -1.173 1.00 1.00 C ATOM 1076 CG PRO A 66 5.698 -3.690 -1.953 1.00 1.00 C ATOM 1077 CD PRO A 66 4.412 -4.445 -1.621 1.00 1.00 C ATOM 0 HA PRO A 66 6.641 -5.897 0.336 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.538 -3.583 -0.860 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.333 -5.064 -1.775 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.602 -2.636 -1.694 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.906 -3.738 -3.022 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.580 -3.759 -1.460 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.123 -5.112 -2.433 1.00 1.00 H new ATOM 1085 N GLN A 67 7.070 -4.240 2.163 1.00 1.00 N ATOM 1086 CA GLN A 67 7.087 -3.353 3.358 1.00 1.00 C ATOM 1087 C GLN A 67 8.519 -3.116 3.830 1.00 1.00 C ATOM 1088 O GLN A 67 9.387 -3.957 3.689 1.00 1.00 O ATOM 1089 CB GLN A 67 6.279 -3.997 4.486 1.00 1.00 C ATOM 1090 CG GLN A 67 6.723 -5.450 4.672 1.00 1.00 C ATOM 1091 CD GLN A 67 6.258 -5.958 6.037 1.00 1.00 C ATOM 1092 OE1 GLN A 67 7.063 -6.219 6.909 1.00 1.00 O ATOM 1093 NE2 GLN A 67 4.981 -6.109 6.264 1.00 1.00 N ATOM 0 H GLN A 67 7.794 -4.958 2.135 1.00 1.00 H new ATOM 0 HA GLN A 67 6.644 -2.395 3.087 1.00 1.00 H new ATOM 0 HB2 GLN A 67 6.422 -3.441 5.413 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.215 -3.958 4.252 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.306 -6.072 3.880 1.00 1.00 H new ATOM 0 HG3 GLN A 67 7.808 -5.522 4.596 1.00 1.00 H new ATOM 0 HE21 GLN A 67 4.304 -5.890 5.533 1.00 1.00 H new ATOM 0 HE22 GLN A 67 4.661 -6.446 7.172 1.00 1.00 H new ATOM 1102 N CYS A 68 8.763 -1.967 4.396 1.00 1.00 N ATOM 1103 CA CYS A 68 10.132 -1.640 4.894 1.00 1.00 C ATOM 1104 C CYS A 68 10.200 -1.880 6.404 1.00 1.00 C ATOM 1105 O CYS A 68 9.294 -1.531 7.136 1.00 1.00 O ATOM 1106 CB CYS A 68 10.428 -0.168 4.610 1.00 1.00 C ATOM 1107 SG CYS A 68 9.872 0.243 2.941 1.00 1.00 S ATOM 0 H CYS A 68 8.068 -1.234 4.537 1.00 1.00 H new ATOM 0 HA CYS A 68 10.863 -2.273 4.391 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.922 0.464 5.340 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.496 0.025 4.707 1.00 1.00 H new ATOM 1112 N ASP A 69 11.268 -2.471 6.877 1.00 1.00 N ATOM 1113 CA ASP A 69 11.394 -2.730 8.345 1.00 1.00 C ATOM 1114 C ASP A 69 12.771 -2.274 8.841 1.00 1.00 C ATOM 1115 O ASP A 69 13.767 -2.937 8.627 1.00 1.00 O ATOM 1116 CB ASP A 69 11.229 -4.228 8.611 1.00 1.00 C ATOM 1117 CG ASP A 69 11.099 -4.468 10.117 1.00 1.00 C ATOM 1118 OD1 ASP A 69 12.080 -4.272 10.815 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.020 -4.843 10.545 1.00 1.00 O ATOM 0 H ASP A 69 12.057 -2.785 6.312 1.00 1.00 H new ATOM 0 HA ASP A 69 10.621 -2.174 8.875 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.346 -4.605 8.094 1.00 1.00 H new ATOM 0 HB3 ASP A 69 12.086 -4.775 8.218 1.00 1.00 H new ATOM 1124 N ARG A 70 12.833 -1.150 9.507 1.00 1.00 N ATOM 1125 CA ARG A 70 14.145 -0.658 10.021 1.00 1.00 C ATOM 1126 C ARG A 70 14.574 -1.508 11.219 1.00 1.00 C ATOM 1127 O ARG A 70 13.778 -1.831 12.080 1.00 1.00 O ATOM 1128 CB ARG A 70 14.003 0.803 10.458 1.00 1.00 C ATOM 1129 CG ARG A 70 15.388 1.401 10.718 1.00 1.00 C ATOM 1130 CD ARG A 70 15.250 2.654 11.587 1.00 1.00 C ATOM 1131 NE ARG A 70 14.946 2.254 12.990 1.00 1.00 N ATOM 1132 CZ ARG A 70 14.648 3.162 13.878 1.00 1.00 C ATOM 1133 NH1 ARG A 70 14.615 4.422 13.537 1.00 1.00 N ATOM 1134 NH2 ARG A 70 14.382 2.811 15.106 1.00 1.00 N ATOM 0 H ARG A 70 12.033 -0.553 9.717 1.00 1.00 H new ATOM 0 HA ARG A 70 14.896 -0.733 9.235 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.488 1.375 9.686 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.394 0.865 11.360 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.024 0.669 11.216 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.870 1.652 9.773 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.171 3.235 11.555 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.456 3.293 11.199 1.00 1.00 H new ATOM 0 HE ARG A 70 14.971 1.270 13.256 1.00 1.00 H new ATOM 0 HH11 ARG A 70 14.822 4.696 12.577 1.00 1.00 H new ATOM 0 HH12 ARG A 70 14.382 5.132 14.231 1.00 1.00 H new ATOM 0 HH21 ARG A 70 14.407 1.827 15.372 1.00 1.00 H new ATOM 0 HH22 ARG A 70 14.149 3.521 15.800 1.00 1.00 H new ATOM 1148 N ILE A 71 15.826 -1.877 11.282 1.00 1.00 N ATOM 1149 CA ILE A 71 16.306 -2.709 12.424 1.00 1.00 C ATOM 1150 C ILE A 71 17.757 -2.344 12.747 1.00 1.00 C ATOM 1151 O ILE A 71 18.162 -2.330 13.893 1.00 1.00 O ATOM 1152 CB ILE A 71 16.230 -4.190 12.043 1.00 1.00 C ATOM 1153 CG1 ILE A 71 14.836 -4.506 11.494 1.00 1.00 C ATOM 1154 CG2 ILE A 71 16.497 -5.050 13.280 1.00 1.00 C ATOM 1155 CD1 ILE A 71 14.693 -6.016 11.291 1.00 1.00 C ATOM 0 H ILE A 71 16.538 -1.638 10.591 1.00 1.00 H new ATOM 0 HA ILE A 71 15.680 -2.523 13.296 1.00 1.00 H new ATOM 0 HB ILE A 71 16.978 -4.407 11.281 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.073 -4.148 12.185 1.00 1.00 H new ATOM 0 HG13 ILE A 71 14.680 -3.986 10.549 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.443 -6.104 13.009 1.00 1.00 H new ATOM 0 HG22 ILE A 71 17.490 -4.826 13.671 1.00 1.00 H new ATOM 0 HG23 ILE A 71 15.749 -4.833 14.043 1.00 1.00 H new ATOM 0 HD11 ILE A 71 13.700 -6.238 10.900 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.447 -6.361 10.583 1.00 1.00 H new ATOM 0 HD13 ILE A 71 14.830 -6.526 12.245 1.00 1.00 H new ATOM 1167 N LYS A 72 18.540 -2.051 11.745 1.00 1.00 N ATOM 1168 CA LYS A 72 19.970 -1.689 11.980 1.00 1.00 C ATOM 1169 C LYS A 72 20.308 -0.421 11.188 1.00 1.00 C ATOM 1170 O LYS A 72 19.593 -0.038 10.282 1.00 1.00 O ATOM 1171 CB LYS A 72 20.864 -2.846 11.516 1.00 1.00 C ATOM 1172 CG LYS A 72 22.230 -2.768 12.214 1.00 1.00 C ATOM 1173 CD LYS A 72 22.163 -3.474 13.576 1.00 1.00 C ATOM 1174 CE LYS A 72 22.455 -4.966 13.401 1.00 1.00 C ATOM 1175 NZ LYS A 72 23.916 -5.164 13.182 1.00 1.00 N ATOM 0 H LYS A 72 18.250 -2.046 10.767 1.00 1.00 H new ATOM 0 HA LYS A 72 20.137 -1.505 13.041 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.385 -3.799 11.741 1.00 1.00 H new ATOM 0 HB3 LYS A 72 20.996 -2.803 10.435 1.00 1.00 H new ATOM 0 HG2 LYS A 72 22.994 -3.233 11.591 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.520 -1.726 12.349 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.885 -3.031 14.262 1.00 1.00 H new ATOM 0 HD3 LYS A 72 21.177 -3.337 14.019 1.00 1.00 H new ATOM 0 HE2 LYS A 72 22.131 -5.517 14.284 1.00 1.00 H new ATOM 0 HE3 LYS A 72 21.893 -5.361 12.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 24.172 -6.145 13.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 24.147 -4.972 12.186 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 24.450 -4.513 13.793 1.00 1.00 H new ATOM 1189 N LEU A 73 21.384 0.241 11.526 1.00 1.00 N ATOM 1190 CA LEU A 73 21.751 1.487 10.792 1.00 1.00 C ATOM 1191 C LEU A 73 20.562 2.463 10.867 1.00 1.00 C ATOM 1192 O LEU A 73 19.541 2.140 11.442 1.00 1.00 O ATOM 1193 CB LEU A 73 22.084 1.140 9.336 1.00 1.00 C ATOM 1194 CG LEU A 73 22.832 -0.196 9.279 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.278 -0.469 7.842 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.062 -0.128 10.187 1.00 1.00 C ATOM 0 H LEU A 73 22.022 -0.026 12.276 1.00 1.00 H new ATOM 0 HA LEU A 73 22.628 1.955 11.240 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.168 1.080 8.748 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.694 1.928 8.895 1.00 1.00 H new ATOM 0 HG LEU A 73 22.173 -0.997 9.615 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.810 -1.419 7.801 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.404 -0.514 7.192 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.938 0.331 7.508 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.596 -1.078 10.148 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.720 0.672 9.849 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.747 0.070 11.212 1.00 1.00 H new ATOM 1208 N PRO A 74 20.688 3.652 10.325 1.00 1.00 N ATOM 1209 CA PRO A 74 19.607 4.669 10.376 1.00 1.00 C ATOM 1210 C PRO A 74 18.624 4.584 9.201 1.00 1.00 C ATOM 1211 O PRO A 74 17.732 3.760 9.185 1.00 1.00 O ATOM 1212 CB PRO A 74 20.388 5.986 10.354 1.00 1.00 C ATOM 1213 CG PRO A 74 21.645 5.697 9.585 1.00 1.00 C ATOM 1214 CD PRO A 74 21.859 4.172 9.604 1.00 1.00 C ATOM 0 HA PRO A 74 18.967 4.541 11.249 1.00 1.00 H new ATOM 0 HB2 PRO A 74 19.809 6.777 9.877 1.00 1.00 H new ATOM 0 HB3 PRO A 74 20.616 6.324 11.365 1.00 1.00 H new ATOM 0 HG2 PRO A 74 21.560 6.059 8.561 1.00 1.00 H new ATOM 0 HG3 PRO A 74 22.496 6.209 10.034 1.00 1.00 H new ATOM 0 HD2 PRO A 74 21.918 3.766 8.594 1.00 1.00 H new ATOM 0 HD3 PRO A 74 22.788 3.906 10.109 1.00 1.00 H new ATOM 1222 N CYS A 75 18.760 5.452 8.240 1.00 1.00 N ATOM 1223 CA CYS A 75 17.815 5.453 7.087 1.00 1.00 C ATOM 1224 C CYS A 75 17.937 4.163 6.269 1.00 1.00 C ATOM 1225 O CYS A 75 17.696 4.155 5.078 1.00 1.00 O ATOM 1226 CB CYS A 75 18.123 6.655 6.199 1.00 1.00 C ATOM 1227 SG CYS A 75 16.869 6.778 4.898 1.00 1.00 S ATOM 0 H CYS A 75 19.488 6.165 8.202 1.00 1.00 H new ATOM 0 HA CYS A 75 16.796 5.514 7.468 1.00 1.00 H new ATOM 0 HB2 CYS A 75 18.136 7.568 6.795 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.113 6.550 5.756 1.00 1.00 H new ATOM 1232 N HIS A 76 18.282 3.071 6.896 1.00 1.00 N ATOM 1233 CA HIS A 76 18.389 1.779 6.150 1.00 1.00 C ATOM 1234 C HIS A 76 17.193 0.904 6.530 1.00 1.00 C ATOM 1235 O HIS A 76 16.704 0.965 7.641 1.00 1.00 O ATOM 1236 CB HIS A 76 19.692 1.069 6.529 1.00 1.00 C ATOM 1237 CG HIS A 76 20.148 0.199 5.387 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.920 0.692 4.344 1.00 1.00 N ATOM 1239 CD2 HIS A 76 19.948 -1.131 5.109 1.00 1.00 C ATOM 1240 CE1 HIS A 76 21.155 -0.327 3.495 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.584 -1.457 3.918 1.00 1.00 N ATOM 0 H HIS A 76 18.495 3.015 7.892 1.00 1.00 H new ATOM 0 HA HIS A 76 18.392 1.964 5.076 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.461 1.803 6.769 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.541 0.463 7.422 1.00 1.00 H new ATOM 0 HD2 HIS A 76 19.383 -1.818 5.722 1.00 1.00 H new ATOM 0 HE1 HIS A 76 21.733 -0.241 2.587 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.609 -2.369 3.462 1.00 1.00 H new ATOM 1250 N TYR A 77 16.704 0.103 5.621 1.00 1.00 N ATOM 1251 CA TYR A 77 15.525 -0.754 5.948 1.00 1.00 C ATOM 1252 C TYR A 77 15.718 -2.166 5.396 1.00 1.00 C ATOM 1253 O TYR A 77 16.580 -2.417 4.577 1.00 1.00 O ATOM 1254 CB TYR A 77 14.271 -0.134 5.331 1.00 1.00 C ATOM 1255 CG TYR A 77 14.362 1.368 5.440 1.00 1.00 C ATOM 1256 CD1 TYR A 77 13.855 2.016 6.570 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.963 2.111 4.416 1.00 1.00 C ATOM 1258 CE1 TYR A 77 13.947 3.407 6.679 1.00 1.00 C ATOM 1259 CE2 TYR A 77 15.054 3.503 4.524 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.547 4.151 5.656 1.00 1.00 C ATOM 1261 OH TYR A 77 14.641 5.522 5.766 1.00 1.00 O ATOM 0 H TYR A 77 17.066 0.004 4.673 1.00 1.00 H new ATOM 0 HA TYR A 77 15.420 -0.815 7.031 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.179 -0.431 4.286 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.380 -0.496 5.845 1.00 1.00 H new ATOM 0 HD1 TYR A 77 13.392 1.442 7.359 1.00 1.00 H new ATOM 0 HD2 TYR A 77 15.356 1.610 3.544 1.00 1.00 H new ATOM 0 HE1 TYR A 77 13.555 3.907 7.552 1.00 1.00 H new ATOM 0 HE2 TYR A 77 15.515 4.077 3.734 1.00 1.00 H new ATOM 0 HH TYR A 77 15.283 5.860 5.107 1.00 1.00 H new ATOM 1271 N LYS A 78 14.905 -3.089 5.840 1.00 1.00 N ATOM 1272 CA LYS A 78 15.010 -4.493 5.353 1.00 1.00 C ATOM 1273 C LYS A 78 13.833 -4.777 4.418 1.00 1.00 C ATOM 1274 O LYS A 78 12.767 -4.207 4.558 1.00 1.00 O ATOM 1275 CB LYS A 78 14.957 -5.455 6.544 1.00 1.00 C ATOM 1276 CG LYS A 78 16.062 -5.102 7.547 1.00 1.00 C ATOM 1277 CD LYS A 78 17.411 -5.621 7.043 1.00 1.00 C ATOM 1278 CE LYS A 78 18.448 -5.515 8.162 1.00 1.00 C ATOM 1279 NZ LYS A 78 18.399 -4.150 8.756 1.00 1.00 N ATOM 0 H LYS A 78 14.167 -2.927 6.525 1.00 1.00 H new ATOM 0 HA LYS A 78 15.952 -4.632 4.822 1.00 1.00 H new ATOM 0 HB2 LYS A 78 13.982 -5.396 7.028 1.00 1.00 H new ATOM 0 HB3 LYS A 78 15.080 -6.482 6.200 1.00 1.00 H new ATOM 0 HG2 LYS A 78 16.107 -4.022 7.686 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.835 -5.539 8.519 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.316 -6.657 6.718 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.734 -5.044 6.177 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.250 -6.264 8.928 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.445 -5.717 7.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.218 -4.014 9.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.422 -3.440 7.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 17.522 -4.042 9.305 1.00 1.00 H new ATOM 1293 N LEU A 79 14.023 -5.647 3.462 1.00 1.00 N ATOM 1294 CA LEU A 79 12.924 -5.966 2.506 1.00 1.00 C ATOM 1295 C LEU A 79 12.060 -7.096 3.072 1.00 1.00 C ATOM 1296 O LEU A 79 12.526 -8.197 3.290 1.00 1.00 O ATOM 1297 CB LEU A 79 13.536 -6.404 1.166 1.00 1.00 C ATOM 1298 CG LEU A 79 12.567 -6.109 0.011 1.00 1.00 C ATOM 1299 CD1 LEU A 79 11.203 -6.738 0.305 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.406 -4.591 -0.172 1.00 1.00 C ATOM 0 H LEU A 79 14.895 -6.152 3.302 1.00 1.00 H new ATOM 0 HA LEU A 79 12.302 -5.084 2.355 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.478 -5.881 1.001 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.764 -7.470 1.194 1.00 1.00 H new ATOM 0 HG LEU A 79 12.973 -6.536 -0.906 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.520 -6.526 -0.517 1.00 1.00 H new ATOM 0 HD12 LEU A 79 11.316 -7.817 0.414 1.00 1.00 H new ATOM 0 HD13 LEU A 79 10.801 -6.320 1.228 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.717 -4.395 -0.993 1.00 1.00 H new ATOM 0 HD22 LEU A 79 12.011 -4.154 0.745 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.376 -4.147 -0.398 1.00 1.00 H new ATOM 1312 N SER A 80 10.802 -6.832 3.301 1.00 1.00 N ATOM 1313 CA SER A 80 9.894 -7.885 3.841 1.00 1.00 C ATOM 1314 C SER A 80 8.554 -7.805 3.107 1.00 1.00 C ATOM 1315 O SER A 80 8.150 -6.753 2.654 1.00 1.00 O ATOM 1316 CB SER A 80 9.674 -7.651 5.336 1.00 1.00 C ATOM 1317 OG SER A 80 8.435 -8.228 5.726 1.00 1.00 O ATOM 0 H SER A 80 10.362 -5.927 3.136 1.00 1.00 H new ATOM 0 HA SER A 80 10.338 -8.870 3.694 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.490 -8.092 5.908 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.675 -6.583 5.552 1.00 1.00 H new ATOM 0 HG SER A 80 7.943 -7.596 6.290 1.00 1.00 H new ATOM 1323 N SER A 81 7.862 -8.904 2.975 1.00 1.00 N ATOM 1324 CA SER A 81 6.554 -8.869 2.260 1.00 1.00 C ATOM 1325 C SER A 81 5.792 -10.175 2.503 1.00 1.00 C ATOM 1326 O SER A 81 6.362 -11.178 2.883 1.00 1.00 O ATOM 1327 CB SER A 81 6.802 -8.695 0.760 1.00 1.00 C ATOM 1328 OG SER A 81 7.919 -7.837 0.565 1.00 1.00 O ATOM 0 H SER A 81 8.143 -9.819 3.328 1.00 1.00 H new ATOM 0 HA SER A 81 5.961 -8.034 2.634 1.00 1.00 H new ATOM 0 HB2 SER A 81 6.987 -9.664 0.296 1.00 1.00 H new ATOM 0 HB3 SER A 81 5.918 -8.275 0.280 1.00 1.00 H new ATOM 0 HG SER A 81 7.847 -7.065 1.164 1.00 1.00 H new ATOM 1334 N SER A 82 4.506 -10.167 2.280 1.00 1.00 N ATOM 1335 CA SER A 82 3.703 -11.404 2.492 1.00 1.00 C ATOM 1336 C SER A 82 2.352 -11.257 1.800 1.00 1.00 C ATOM 1337 O SER A 82 1.954 -10.174 1.414 1.00 1.00 O ATOM 1338 CB SER A 82 3.493 -11.631 3.990 1.00 1.00 C ATOM 1339 OG SER A 82 3.020 -10.430 4.584 1.00 1.00 O ATOM 0 H SER A 82 3.977 -9.356 1.960 1.00 1.00 H new ATOM 0 HA SER A 82 4.234 -12.258 2.071 1.00 1.00 H new ATOM 0 HB2 SER A 82 2.777 -12.437 4.151 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.428 -11.938 4.458 1.00 1.00 H new ATOM 0 HG SER A 82 2.882 -10.572 5.544 1.00 1.00 H new ATOM 1345 N THR A 83 1.651 -12.344 1.622 1.00 1.00 N ATOM 1346 CA THR A 83 0.340 -12.291 0.941 1.00 1.00 C ATOM 1347 C THR A 83 -0.786 -12.461 1.964 1.00 1.00 C ATOM 1348 O THR A 83 -0.888 -13.472 2.630 1.00 1.00 O ATOM 1349 CB THR A 83 0.302 -13.430 -0.074 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.260 -14.413 0.292 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.637 -12.887 -1.462 1.00 1.00 C ATOM 0 H THR A 83 1.940 -13.274 1.925 1.00 1.00 H new ATOM 0 HA THR A 83 0.204 -11.331 0.443 1.00 1.00 H new ATOM 0 HB THR A 83 -0.693 -13.874 -0.089 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.239 -15.148 -0.356 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.610 -13.700 -2.187 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.093 -12.127 -1.741 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.633 -12.445 -1.449 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.635 -11.478 2.089 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.758 -11.580 3.064 1.00 1.00 C ATOM 1361 C ASN A 84 -3.851 -10.579 2.685 1.00 1.00 C ATOM 1362 O ASN A 84 -3.619 -9.656 1.929 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.244 -11.266 4.470 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.639 -9.862 4.492 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -1.952 -9.041 3.653 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -0.780 -9.549 5.423 1.00 1.00 N ATOM 0 H ASN A 84 -1.600 -10.608 1.558 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.166 -12.590 3.045 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -3.060 -11.333 5.190 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.495 -12.000 4.767 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -0.371 -8.615 5.446 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -0.517 -10.238 6.127 1.00 1.00 H new ATOM 1373 N THR A 85 -5.042 -10.752 3.196 1.00 1.00 N ATOM 1374 CA THR A 85 -6.136 -9.808 2.855 1.00 1.00 C ATOM 1375 C THR A 85 -5.777 -8.422 3.399 1.00 1.00 C ATOM 1376 O THR A 85 -4.800 -8.261 4.101 1.00 1.00 O ATOM 1377 CB THR A 85 -7.443 -10.308 3.490 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.241 -11.620 3.998 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.557 -10.336 2.443 1.00 1.00 C ATOM 0 H THR A 85 -5.300 -11.506 3.833 1.00 1.00 H new ATOM 0 HA THR A 85 -6.267 -9.747 1.775 1.00 1.00 H new ATOM 0 HB THR A 85 -7.731 -9.636 4.298 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.069 -12.236 3.255 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.479 -10.692 2.902 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.712 -9.331 2.049 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.275 -11.005 1.630 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.544 -7.419 3.065 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.220 -6.044 3.547 1.00 1.00 C ATOM 1389 C ILE A 86 -7.505 -5.261 3.818 1.00 1.00 C ATOM 1390 O ILE A 86 -8.517 -5.473 3.183 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.402 -5.328 2.466 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -6.319 -4.900 1.311 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.342 -6.288 1.928 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -5.476 -4.325 0.169 1.00 1.00 C ATOM 0 H ILE A 86 -7.378 -7.491 2.482 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.649 -6.107 4.474 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.930 -4.445 2.897 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.896 -5.754 0.956 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.034 -4.155 1.659 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.755 -5.787 1.158 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.685 -6.598 2.741 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.829 -7.165 1.500 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.130 -4.022 -0.649 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -4.919 -3.459 0.528 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.778 -5.084 -0.186 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.460 -4.342 4.747 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.659 -3.519 5.057 1.00 1.00 C ATOM 1408 C CYS A 87 -8.368 -2.074 4.649 1.00 1.00 C ATOM 1409 O CYS A 87 -7.334 -1.526 4.969 1.00 1.00 O ATOM 1410 CB CYS A 87 -8.943 -3.588 6.562 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.065 -2.252 7.038 1.00 1.00 S ATOM 0 H CYS A 87 -6.635 -4.127 5.307 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.528 -3.890 4.514 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.384 -4.552 6.814 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.011 -3.508 7.121 1.00 1.00 H new ATOM 0 HG CYS A 87 -10.302 -2.319 8.314 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.259 -1.458 3.927 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.018 -0.047 3.494 1.00 1.00 C ATOM 1418 C ILE A 88 -10.367 0.651 3.307 1.00 1.00 C ATOM 1419 O ILE A 88 -11.379 0.012 3.102 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.191 -0.036 2.184 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.873 0.823 1.104 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.032 -1.465 1.660 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.953 0.948 -0.117 1.00 1.00 C ATOM 0 H ILE A 88 -10.142 -1.864 3.617 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.449 0.490 4.253 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.214 0.393 2.406 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.821 0.371 0.812 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.100 1.812 1.502 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.450 -1.452 0.739 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -7.518 -2.071 2.406 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.015 -1.891 1.462 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.440 1.557 -0.879 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.016 1.419 0.180 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.748 -0.043 -0.521 1.00 1.00 H new ATOM 1435 N THR A 89 -10.397 1.958 3.378 1.00 1.00 N ATOM 1436 CA THR A 89 -11.691 2.679 3.203 1.00 1.00 C ATOM 1437 C THR A 89 -11.754 3.254 1.784 1.00 1.00 C ATOM 1438 O THR A 89 -10.791 3.809 1.279 1.00 1.00 O ATOM 1439 CB THR A 89 -11.810 3.793 4.258 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.582 3.314 5.350 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.492 5.033 3.666 1.00 1.00 C ATOM 0 H THR A 89 -9.586 2.553 3.549 1.00 1.00 H new ATOM 0 HA THR A 89 -12.526 1.992 3.340 1.00 1.00 H new ATOM 0 HB THR A 89 -10.810 4.071 4.591 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.662 4.017 6.028 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.565 5.807 4.430 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.905 5.405 2.827 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.491 4.768 3.320 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.885 3.107 1.141 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.047 3.614 -0.251 1.00 1.00 C ATOM 1451 C CYS A 90 -14.349 4.413 -0.357 1.00 1.00 C ATOM 1452 O CYS A 90 -15.343 4.079 0.255 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.103 2.420 -1.205 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.962 2.995 -2.912 1.00 1.00 S ATOM 0 H CYS A 90 -13.711 2.651 1.528 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.208 4.260 -0.511 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.296 1.723 -0.978 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.039 1.878 -1.070 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.350 5.467 -1.130 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.582 6.291 -1.276 1.00 1.00 C ATOM 1461 C VAL A 91 -16.500 5.673 -2.335 1.00 1.00 C ATOM 1462 O VAL A 91 -16.558 4.471 -2.494 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.193 7.709 -1.698 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.261 8.316 -0.647 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.474 7.657 -3.048 1.00 1.00 C ATOM 0 H VAL A 91 -13.547 5.792 -1.668 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.111 6.324 -0.323 1.00 1.00 H new ATOM 0 HB VAL A 91 -16.090 8.323 -1.786 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -13.983 9.326 -0.947 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.771 8.351 0.315 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -13.363 7.704 -0.560 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -14.196 8.666 -3.351 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.577 7.044 -2.959 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -15.137 7.223 -3.797 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.221 6.490 -3.058 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.146 5.960 -4.101 1.00 1.00 C ATOM 1477 C ASN A 92 -17.445 4.908 -4.949 1.00 1.00 C ATOM 1478 O ASN A 92 -17.997 3.873 -5.265 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.614 7.107 -4.996 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.438 8.097 -4.170 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -19.570 7.944 -2.972 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.003 9.113 -4.765 1.00 1.00 N ATOM 0 H ASN A 92 -17.208 7.506 -2.970 1.00 1.00 H new ATOM 0 HA ASN A 92 -19.004 5.501 -3.610 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.755 7.612 -5.437 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -19.212 6.718 -5.820 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -20.555 9.778 -4.224 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -19.892 9.241 -5.771 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.237 5.171 -5.319 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.483 4.193 -6.155 1.00 1.00 C ATOM 1491 C GLN A 93 -14.025 4.640 -6.298 1.00 1.00 C ATOM 1492 O GLN A 93 -13.459 4.611 -7.371 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.128 4.100 -7.541 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.152 5.486 -8.190 1.00 1.00 C ATOM 1495 CD GLN A 93 -17.113 5.476 -9.380 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -16.772 5.006 -10.447 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -18.310 5.978 -9.242 1.00 1.00 N ATOM 0 H GLN A 93 -15.728 6.023 -5.082 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.511 3.216 -5.673 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.570 3.404 -8.167 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.142 3.710 -7.456 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -16.465 6.235 -7.462 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.151 5.762 -8.520 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -18.597 6.373 -8.346 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.958 5.975 -10.030 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.413 5.040 -5.217 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.988 5.479 -5.271 1.00 1.00 C ATOM 1508 C LEU A 94 -11.328 5.170 -3.916 1.00 1.00 C ATOM 1509 O LEU A 94 -11.705 5.733 -2.908 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.917 6.993 -5.528 1.00 1.00 C ATOM 1511 CG LEU A 94 -12.207 7.307 -7.009 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -13.654 7.789 -7.166 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -11.259 8.409 -7.495 1.00 1.00 C ATOM 0 H LEU A 94 -13.841 5.082 -4.292 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.473 4.954 -6.075 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.638 7.509 -4.894 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.929 7.367 -5.258 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.058 6.403 -7.599 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -13.852 8.009 -8.215 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -14.336 7.011 -6.823 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.804 8.690 -6.571 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -11.465 8.630 -8.542 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.410 9.308 -6.898 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.227 8.073 -7.391 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.362 4.282 -3.879 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.672 3.916 -2.609 1.00 1.00 C ATOM 1527 C PRO A 95 -8.685 5.003 -2.177 1.00 1.00 C ATOM 1528 O PRO A 95 -7.889 5.466 -2.969 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.944 2.615 -2.951 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.703 2.671 -4.426 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.812 3.540 -5.029 1.00 1.00 C ATOM 0 HA PRO A 95 -10.364 3.805 -1.774 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -8.006 2.534 -2.402 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.546 1.746 -2.684 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.722 3.094 -4.641 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.720 1.670 -4.858 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.418 4.217 -5.787 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.576 2.931 -5.511 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.739 5.432 -0.940 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.807 6.510 -0.503 1.00 1.00 C ATOM 1541 C ILE A 96 -7.348 6.308 0.948 1.00 1.00 C ATOM 1542 O ILE A 96 -6.504 7.042 1.423 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.516 7.863 -0.634 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.737 7.907 0.296 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -8.979 8.054 -2.080 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.307 8.221 1.734 1.00 1.00 C ATOM 0 H ILE A 96 -9.379 5.087 -0.225 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.922 6.479 -1.139 1.00 1.00 H new ATOM 0 HB ILE A 96 -7.823 8.658 -0.357 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.440 8.664 -0.053 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.258 6.950 0.267 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.484 9.015 -2.176 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.116 8.029 -2.745 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.668 7.254 -2.350 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.185 8.248 2.379 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.622 7.449 2.086 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -8.807 9.189 1.761 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.879 5.344 1.670 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.423 5.163 3.085 1.00 1.00 C ATOM 1560 C HIS A 97 -6.862 3.753 3.285 1.00 1.00 C ATOM 1561 O HIS A 97 -7.424 2.776 2.834 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.610 5.389 4.032 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.500 6.741 4.687 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.293 7.243 5.155 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -9.439 7.708 4.957 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -7.535 8.461 5.676 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -8.825 8.789 5.580 1.00 1.00 N ATOM 0 H HIS A 97 -8.592 4.690 1.348 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.636 5.885 3.303 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.546 5.320 3.477 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.632 4.609 4.793 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.491 7.639 4.722 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -6.779 9.094 6.117 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -9.268 9.652 5.897 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.753 3.648 3.974 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.138 2.312 4.229 1.00 1.00 C ATOM 1578 C PHE A 98 -5.392 1.919 5.685 1.00 1.00 C ATOM 1579 O PHE A 98 -4.752 2.415 6.592 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.630 2.386 3.981 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.017 1.022 4.197 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.210 0.010 3.248 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.257 0.769 5.345 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.643 -1.255 3.449 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.690 -0.496 5.545 1.00 1.00 C ATOM 1586 CZ PHE A 98 -1.883 -1.507 4.597 1.00 1.00 C ATOM 0 H PHE A 98 -5.245 4.437 4.373 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.578 1.571 3.561 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.434 2.728 2.965 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.175 3.112 4.655 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.796 0.205 2.362 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.108 1.549 6.077 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.792 -2.036 2.718 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.104 -0.691 6.431 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.445 -2.482 4.751 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.322 1.038 5.920 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.618 0.621 7.319 1.00 1.00 C ATOM 1598 C ALA A 99 -5.351 0.054 7.967 1.00 1.00 C ATOM 1599 O ALA A 99 -4.726 0.690 8.793 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.716 -0.445 7.308 1.00 1.00 C ATOM 0 H ALA A 99 -6.891 0.588 5.203 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.956 1.484 7.893 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.935 -0.752 8.331 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.617 -0.035 6.852 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.379 -1.308 6.734 1.00 1.00 H new ATOM 1606 N GLY A 100 -4.965 -1.139 7.600 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.741 -1.743 8.197 1.00 1.00 C ATOM 1608 C GLY A 100 -3.386 -3.028 7.445 1.00 1.00 C ATOM 1609 O GLY A 100 -3.792 -3.231 6.319 1.00 1.00 O ATOM 0 H GLY A 100 -5.445 -1.720 6.913 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -2.912 -1.037 8.144 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -3.908 -1.961 9.252 1.00 1.00 H new ATOM 1613 N VAL A 101 -2.631 -3.898 8.061 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.250 -5.171 7.383 1.00 1.00 C ATOM 1615 C VAL A 101 -3.251 -6.268 7.752 1.00 1.00 C ATOM 1616 O VAL A 101 -3.751 -6.317 8.859 1.00 1.00 O ATOM 1617 CB VAL A 101 -0.849 -5.588 7.832 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.840 -5.798 9.347 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.460 -6.894 7.136 1.00 1.00 C ATOM 0 H VAL A 101 -2.262 -3.782 9.005 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.257 -5.022 6.303 1.00 1.00 H new ATOM 0 HB VAL A 101 -0.136 -4.807 7.569 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.159 -6.095 9.667 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.119 -4.869 9.845 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.553 -6.579 9.610 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.539 -7.193 7.455 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.174 -7.674 7.401 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.467 -6.747 6.056 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.545 -7.148 6.835 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.511 -8.242 7.134 1.00 1.00 C ATOM 1631 C GLY A 102 -5.926 -7.666 7.225 1.00 1.00 C ATOM 1632 O GLY A 102 -6.150 -6.501 6.961 1.00 1.00 O ATOM 0 H GLY A 102 -3.158 -7.157 5.891 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.467 -9.003 6.355 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.245 -8.730 8.072 1.00 1.00 H new ATOM 1636 N SER A 103 -6.881 -8.473 7.596 1.00 1.00 N ATOM 1637 CA SER A 103 -8.281 -7.972 7.703 1.00 1.00 C ATOM 1638 C SER A 103 -8.370 -6.939 8.828 1.00 1.00 C ATOM 1639 O SER A 103 -7.667 -7.019 9.816 1.00 1.00 O ATOM 1640 CB SER A 103 -9.218 -9.140 8.009 1.00 1.00 C ATOM 1641 OG SER A 103 -9.141 -10.092 6.956 1.00 1.00 O ATOM 0 H SER A 103 -6.753 -9.458 7.830 1.00 1.00 H new ATOM 0 HA SER A 103 -8.573 -7.508 6.761 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.942 -9.604 8.956 1.00 1.00 H new ATOM 0 HB3 SER A 103 -10.242 -8.781 8.117 1.00 1.00 H new ATOM 0 HG SER A 103 -9.740 -10.843 7.150 1.00 1.00 H new