USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 962 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 16 HIS : no HD1:sc= -2.67 X(o=-3,f=-2.5!) USER MOD Set 1.2: A 98 GLN : amide:sc= -0.311 X(o=-3,f=-2.6) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -161:sc= -0.0428 (180deg=-0.313) USER MOD Set 2.2: A 84 ASN : amide:sc= -4.81! C(o=-4.9!,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0914 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -1.18 (180deg=-2.07!) USER MOD Single : A 37 GLN : amide:sc= -0.819 X(o=-0.82,f=-0.87) USER MOD Single : A 38 MET CE :methyl -122:sc= -1.47 (180deg=-5.9!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.33) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.641 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.3!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00938 USER MOD Single : A 60 SER OG : rot 21:sc= -0.331 USER MOD Single : A 64 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.37) USER MOD Single : A 67 SER OG : rot 43:sc= 1.07 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 71 CYS SG : rot 23:sc= -0.9 USER MOD Single : A 76 SER OG : rot 32:sc= -0.121 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -0.177 (180deg=-0.693) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 90 THR OG1 : rot -54:sc= 1.27 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 23:sc= 0.657 USER MOD Single : A 95 CYS SG : rot 82:sc= -1.41! USER MOD Single : A 105 MET CE :methyl 164:sc= -0.101 (180deg=-0.517) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 78:sc= 0.876 USER MOD Single : A 113 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.44) USER MOD Single : A 115 SER OG : rot 69:sc= 0.0814 USER MOD Single : A 116 SER OG : rot -23:sc= 0.274 USER MOD Single : A 117 ASN :FLIP amide:sc= -0.43 F(o=-2.2!,f=-0.43) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 21:sc= 0.75 USER MOD Single : A 123 SER OG : rot 59:sc= 1.15 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.665 -16.656 12.486 1.00 0.00 N ATOM 2 CA GLY A 1 -7.895 -17.563 11.377 1.00 0.00 C ATOM 3 C GLY A 1 -6.992 -17.273 10.194 1.00 0.00 C ATOM 4 O GLY A 1 -6.110 -16.419 10.273 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.610 -17.198 13.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.772 -16.145 12.337 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.448 -15.975 12.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.734 -18.588 11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.936 -17.490 11.062 1.00 0.00 H new ATOM 8 N SER A 2 -7.212 -17.987 9.095 1.00 0.00 N ATOM 9 CA SER A 2 -6.408 -17.806 7.892 1.00 0.00 C ATOM 10 C SER A 2 -7.099 -18.422 6.679 1.00 0.00 C ATOM 11 O SER A 2 -8.010 -19.238 6.817 1.00 0.00 O ATOM 12 CB SER A 2 -5.025 -18.434 8.079 1.00 0.00 C ATOM 13 OG SER A 2 -5.125 -19.827 8.313 1.00 0.00 O ATOM 0 H SER A 2 -7.940 -18.696 9.013 1.00 0.00 H new ATOM 0 HA SER A 2 -6.293 -16.736 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.417 -18.254 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.516 -17.957 8.916 1.00 0.00 H new ATOM 0 HG SER A 2 -4.228 -20.205 8.427 1.00 0.00 H new ATOM 19 N SER A 3 -6.658 -18.024 5.490 1.00 0.00 N ATOM 20 CA SER A 3 -7.235 -18.533 4.251 1.00 0.00 C ATOM 21 C SER A 3 -6.821 -19.982 4.014 1.00 0.00 C ATOM 22 O SER A 3 -5.692 -20.372 4.305 1.00 0.00 O ATOM 23 CB SER A 3 -6.801 -17.666 3.067 1.00 0.00 C ATOM 24 OG SER A 3 -7.782 -17.670 2.045 1.00 0.00 O ATOM 0 H SER A 3 -5.903 -17.351 5.358 1.00 0.00 H new ATOM 0 HA SER A 3 -8.321 -18.494 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.628 -16.644 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.856 -18.035 2.669 1.00 0.00 H new ATOM 0 HG SER A 3 -7.481 -17.108 1.301 1.00 0.00 H new ATOM 30 N GLY A 4 -7.747 -20.776 3.483 1.00 0.00 N ATOM 31 CA GLY A 4 -7.460 -22.173 3.215 1.00 0.00 C ATOM 32 C GLY A 4 -7.482 -22.496 1.734 1.00 0.00 C ATOM 33 O GLY A 4 -6.644 -23.254 1.245 1.00 0.00 O ATOM 0 H GLY A 4 -8.690 -20.476 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.481 -22.425 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.191 -22.796 3.730 1.00 0.00 H new ATOM 37 N SER A 5 -8.443 -21.921 1.019 1.00 0.00 N ATOM 38 CA SER A 5 -8.573 -22.156 -0.415 1.00 0.00 C ATOM 39 C SER A 5 -7.753 -21.144 -1.208 1.00 0.00 C ATOM 40 O SER A 5 -7.233 -20.177 -0.652 1.00 0.00 O ATOM 41 CB SER A 5 -10.043 -22.079 -0.834 1.00 0.00 C ATOM 42 OG SER A 5 -10.757 -23.225 -0.403 1.00 0.00 O ATOM 0 H SER A 5 -9.143 -21.289 1.408 1.00 0.00 H new ATOM 0 HA SER A 5 -8.192 -23.154 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.498 -21.183 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.111 -21.991 -1.918 1.00 0.00 H new ATOM 0 HG SER A 5 -11.694 -23.151 -0.681 1.00 0.00 H new ATOM 48 N SER A 6 -7.641 -21.375 -2.513 1.00 0.00 N ATOM 49 CA SER A 6 -6.881 -20.486 -3.384 1.00 0.00 C ATOM 50 C SER A 6 -7.645 -19.190 -3.638 1.00 0.00 C ATOM 51 O SER A 6 -8.768 -19.207 -4.139 1.00 0.00 O ATOM 52 CB SER A 6 -6.574 -21.180 -4.712 1.00 0.00 C ATOM 53 OG SER A 6 -5.574 -20.482 -5.433 1.00 0.00 O ATOM 0 H SER A 6 -8.067 -22.170 -2.990 1.00 0.00 H new ATOM 0 HA SER A 6 -5.943 -20.242 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.245 -22.202 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.482 -21.243 -5.312 1.00 0.00 H new ATOM 0 HG SER A 6 -5.395 -20.947 -6.277 1.00 0.00 H new ATOM 59 N GLY A 7 -7.026 -18.067 -3.288 1.00 0.00 N ATOM 60 CA GLY A 7 -7.661 -16.777 -3.485 1.00 0.00 C ATOM 61 C GLY A 7 -6.811 -15.832 -4.311 1.00 0.00 C ATOM 62 O GLY A 7 -5.663 -15.554 -3.963 1.00 0.00 O ATOM 0 H GLY A 7 -6.096 -18.027 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.623 -16.920 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.864 -16.324 -2.515 1.00 0.00 H new ATOM 66 N ASP A 8 -7.373 -15.339 -5.408 1.00 0.00 N ATOM 67 CA ASP A 8 -6.659 -14.420 -6.287 1.00 0.00 C ATOM 68 C ASP A 8 -6.397 -13.091 -5.586 1.00 0.00 C ATOM 69 O ASP A 8 -7.175 -12.664 -4.734 1.00 0.00 O ATOM 70 CB ASP A 8 -7.456 -14.185 -7.571 1.00 0.00 C ATOM 71 CG ASP A 8 -7.024 -12.927 -8.299 1.00 0.00 C ATOM 72 OD1 ASP A 8 -7.344 -11.822 -7.813 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.366 -13.048 -9.354 1.00 0.00 O ATOM 0 H ASP A 8 -8.322 -15.560 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.700 -14.871 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.336 -15.043 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.517 -14.115 -7.329 1.00 0.00 H new ATOM 78 N ALA A 9 -5.295 -12.443 -5.950 1.00 0.00 N ATOM 79 CA ALA A 9 -4.931 -11.162 -5.357 1.00 0.00 C ATOM 80 C ALA A 9 -6.093 -10.177 -5.420 1.00 0.00 C ATOM 81 O ALA A 9 -6.487 -9.736 -6.499 1.00 0.00 O ATOM 82 CB ALA A 9 -3.709 -10.585 -6.057 1.00 0.00 C ATOM 0 H ALA A 9 -4.639 -12.784 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.690 -11.331 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.448 -9.628 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.872 -11.275 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.931 -10.438 -7.114 1.00 0.00 H new ATOM 88 N ALA A 10 -6.639 -9.838 -4.257 1.00 0.00 N ATOM 89 CA ALA A 10 -7.756 -8.904 -4.181 1.00 0.00 C ATOM 90 C ALA A 10 -7.592 -7.769 -5.185 1.00 0.00 C ATOM 91 O ALA A 10 -8.522 -7.436 -5.920 1.00 0.00 O ATOM 92 CB ALA A 10 -7.884 -8.349 -2.770 1.00 0.00 C ATOM 0 H ALA A 10 -6.326 -10.196 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.668 -9.446 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.722 -7.653 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.056 -9.168 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.966 -7.828 -2.499 1.00 0.00 H new ATOM 98 N LYS A 11 -6.403 -7.175 -5.211 1.00 0.00 N ATOM 99 CA LYS A 11 -6.116 -6.076 -6.125 1.00 0.00 C ATOM 100 C LYS A 11 -4.615 -5.949 -6.368 1.00 0.00 C ATOM 101 O LYS A 11 -3.806 -6.408 -5.562 1.00 0.00 O ATOM 102 CB LYS A 11 -6.666 -4.763 -5.566 1.00 0.00 C ATOM 103 CG LYS A 11 -6.732 -3.645 -6.592 1.00 0.00 C ATOM 104 CD LYS A 11 -7.868 -2.681 -6.294 1.00 0.00 C ATOM 105 CE LYS A 11 -7.594 -1.300 -6.871 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.049 -1.189 -8.284 1.00 0.00 N ATOM 0 H LYS A 11 -5.622 -7.437 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.604 -6.291 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.665 -4.938 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.041 -4.443 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.787 -3.103 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.866 -4.070 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.797 -3.072 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.008 -2.605 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.100 -0.547 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.526 -1.089 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.845 -0.234 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.548 -1.890 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.073 -1.365 -8.334 1.00 0.00 H new ATOM 120 N GLU A 12 -4.252 -5.321 -7.482 1.00 0.00 N ATOM 121 CA GLU A 12 -2.848 -5.133 -7.829 1.00 0.00 C ATOM 122 C GLU A 12 -2.680 -3.976 -8.808 1.00 0.00 C ATOM 123 O GLU A 12 -3.578 -3.678 -9.595 1.00 0.00 O ATOM 124 CB GLU A 12 -2.273 -6.416 -8.433 1.00 0.00 C ATOM 125 CG GLU A 12 -3.032 -6.907 -9.654 1.00 0.00 C ATOM 126 CD GLU A 12 -2.703 -8.344 -10.007 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.974 -9.235 -9.175 1.00 0.00 O ATOM 128 OE2 GLU A 12 -2.175 -8.578 -11.114 1.00 0.00 O ATOM 0 H GLU A 12 -4.910 -4.934 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.303 -4.894 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.232 -6.244 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.277 -7.198 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.103 -6.818 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.799 -6.266 -10.504 1.00 0.00 H new ATOM 135 N GLY A 13 -1.521 -3.325 -8.754 1.00 0.00 N ATOM 136 CA GLY A 13 -1.256 -2.207 -9.640 1.00 0.00 C ATOM 137 C GLY A 13 -0.074 -1.374 -9.185 1.00 0.00 C ATOM 138 O GLY A 13 0.359 -1.475 -8.037 1.00 0.00 O ATOM 0 H GLY A 13 -0.761 -3.552 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.067 -2.582 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.142 -1.575 -9.697 1.00 0.00 H new ATOM 142 N TRP A 14 0.448 -0.550 -10.085 1.00 0.00 N ATOM 143 CA TRP A 14 1.588 0.304 -9.770 1.00 0.00 C ATOM 144 C TRP A 14 1.184 1.421 -8.814 1.00 0.00 C ATOM 145 O TRP A 14 0.339 2.255 -9.141 1.00 0.00 O ATOM 146 CB TRP A 14 2.176 0.899 -11.050 1.00 0.00 C ATOM 147 CG TRP A 14 2.908 -0.104 -11.890 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.376 -0.903 -12.862 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.304 -0.415 -11.831 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.358 -1.692 -13.410 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.549 -1.412 -12.796 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.371 0.052 -11.059 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.817 -1.948 -13.006 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.628 -0.481 -11.268 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.843 -1.472 -12.236 1.00 0.00 C ATOM 0 H TRP A 14 0.101 -0.454 -11.039 1.00 0.00 H new ATOM 0 HA TRP A 14 2.345 -0.310 -9.282 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.372 1.339 -11.640 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.857 1.708 -10.786 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.337 -0.913 -13.156 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.222 -2.376 -14.154 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.216 0.816 -10.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.985 -2.712 -13.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.459 -0.128 -10.676 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.838 -1.868 -12.377 1.00 0.00 H new ATOM 166 N LEU A 15 1.792 1.432 -7.633 1.00 0.00 N ATOM 167 CA LEU A 15 1.495 2.448 -6.629 1.00 0.00 C ATOM 168 C LEU A 15 2.774 2.949 -5.967 1.00 0.00 C ATOM 169 O LEU A 15 3.744 2.204 -5.822 1.00 0.00 O ATOM 170 CB LEU A 15 0.545 1.884 -5.570 1.00 0.00 C ATOM 171 CG LEU A 15 -0.731 1.225 -6.095 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.551 0.661 -4.946 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.552 2.221 -6.901 1.00 0.00 C ATOM 0 H LEU A 15 2.494 0.749 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 15 1.014 3.289 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.090 1.151 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.262 2.693 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.449 0.402 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.455 0.196 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.963 -0.084 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.824 1.466 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.456 1.735 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.824 3.065 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.964 2.577 -7.747 1.00 0.00 H new ATOM 185 N HIS A 16 2.769 4.216 -5.563 1.00 0.00 N ATOM 186 CA HIS A 16 3.928 4.816 -4.913 1.00 0.00 C ATOM 187 C HIS A 16 3.913 4.540 -3.413 1.00 0.00 C ATOM 188 O HIS A 16 3.133 5.136 -2.669 1.00 0.00 O ATOM 189 CB HIS A 16 3.957 6.324 -5.166 1.00 0.00 C ATOM 190 CG HIS A 16 4.168 6.686 -6.604 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.417 6.821 -7.171 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.278 6.941 -7.592 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.288 7.144 -8.445 1.00 0.00 C ATOM 194 NE2 HIS A 16 4.000 7.223 -8.726 1.00 0.00 N ATOM 0 H HIS A 16 1.975 4.846 -5.675 1.00 0.00 H new ATOM 0 HA HIS A 16 4.825 4.367 -5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.018 6.760 -4.824 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.752 6.769 -4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.202 6.926 -7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.098 7.315 -9.139 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.605 7.456 -9.637 1.00 0.00 H new ATOM 203 N PHE A 17 4.778 3.632 -2.974 1.00 0.00 N ATOM 204 CA PHE A 17 4.863 3.276 -1.563 1.00 0.00 C ATOM 205 C PHE A 17 5.937 4.098 -0.857 1.00 0.00 C ATOM 206 O PHE A 17 7.126 3.972 -1.154 1.00 0.00 O ATOM 207 CB PHE A 17 5.165 1.783 -1.409 1.00 0.00 C ATOM 208 CG PHE A 17 5.748 1.424 -0.072 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.926 1.228 1.026 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.117 1.284 0.087 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.459 0.897 2.258 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.655 0.953 1.316 1.00 0.00 C ATOM 213 CZ PHE A 17 6.826 0.760 2.403 1.00 0.00 C ATOM 0 H PHE A 17 5.430 3.129 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 17 3.900 3.495 -1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.246 1.217 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.859 1.478 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.857 1.335 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.771 1.435 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.807 0.746 3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.724 0.845 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.245 0.503 3.364 1.00 0.00 H new ATOM 223 N ARG A 18 5.510 4.942 0.077 1.00 0.00 N ATOM 224 CA ARG A 18 6.434 5.787 0.823 1.00 0.00 C ATOM 225 C ARG A 18 6.198 5.656 2.325 1.00 0.00 C ATOM 226 O ARG A 18 5.289 6.264 2.891 1.00 0.00 O ATOM 227 CB ARG A 18 6.280 7.248 0.397 1.00 0.00 C ATOM 228 CG ARG A 18 7.272 8.186 1.066 1.00 0.00 C ATOM 229 CD ARG A 18 6.993 9.638 0.710 1.00 0.00 C ATOM 230 NE ARG A 18 7.717 10.563 1.577 1.00 0.00 N ATOM 231 CZ ARG A 18 7.274 10.954 2.767 1.00 0.00 C ATOM 232 NH1 ARG A 18 6.116 10.503 3.228 1.00 0.00 N ATOM 233 NH2 ARG A 18 7.991 11.799 3.498 1.00 0.00 N ATOM 0 H ARG A 18 4.530 5.058 0.335 1.00 0.00 H new ATOM 0 HA ARG A 18 7.449 5.457 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.400 7.317 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.267 7.580 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.222 8.059 2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.285 7.924 0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.275 9.817 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.923 9.831 0.787 1.00 0.00 H new ATOM 0 HE ARG A 18 8.612 10.929 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.562 9.854 2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.779 10.805 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.882 12.148 3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.650 12.099 4.412 1.00 0.00 H new ATOM 247 N PRO A 19 7.035 4.844 2.987 1.00 0.00 N ATOM 248 CA PRO A 19 6.938 4.615 4.432 1.00 0.00 C ATOM 249 C PRO A 19 7.333 5.844 5.242 1.00 0.00 C ATOM 250 O PRO A 19 8.278 6.553 4.893 1.00 0.00 O ATOM 251 CB PRO A 19 7.927 3.472 4.677 1.00 0.00 C ATOM 252 CG PRO A 19 8.911 3.578 3.564 1.00 0.00 C ATOM 253 CD PRO A 19 8.141 4.088 2.377 1.00 0.00 C ATOM 0 HA PRO A 19 5.918 4.388 4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.414 3.571 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.424 2.505 4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.722 4.258 3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.363 2.610 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.758 4.722 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.775 3.272 1.755 1.00 0.00 H new ATOM 261 N LEU A 20 6.605 6.092 6.325 1.00 0.00 N ATOM 262 CA LEU A 20 6.881 7.237 7.187 1.00 0.00 C ATOM 263 C LEU A 20 8.035 6.938 8.138 1.00 0.00 C ATOM 264 O LEU A 20 9.089 7.570 8.070 1.00 0.00 O ATOM 265 CB LEU A 20 5.631 7.612 7.985 1.00 0.00 C ATOM 266 CG LEU A 20 4.414 8.041 7.164 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.315 8.567 8.074 1.00 0.00 C ATOM 268 CD2 LEU A 20 4.807 9.092 6.137 1.00 0.00 C ATOM 0 H LEU A 20 5.819 5.516 6.627 1.00 0.00 H new ATOM 0 HA LEU A 20 7.166 8.077 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.347 6.758 8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.889 8.423 8.666 1.00 0.00 H new ATOM 0 HG LEU A 20 4.032 7.169 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.457 8.867 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.014 7.784 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.685 9.427 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.929 9.385 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.215 9.965 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.560 8.680 5.465 1.00 0.00 H new ATOM 280 N VAL A 21 7.828 5.968 9.024 1.00 0.00 N ATOM 281 CA VAL A 21 8.853 5.582 9.987 1.00 0.00 C ATOM 282 C VAL A 21 9.273 4.130 9.790 1.00 0.00 C ATOM 283 O VAL A 21 8.432 3.238 9.676 1.00 0.00 O ATOM 284 CB VAL A 21 8.361 5.771 11.434 1.00 0.00 C ATOM 285 CG1 VAL A 21 8.748 7.147 11.955 1.00 0.00 C ATOM 286 CG2 VAL A 21 6.856 5.564 11.517 1.00 0.00 C ATOM 0 H VAL A 21 6.961 5.436 9.095 1.00 0.00 H new ATOM 0 HA VAL A 21 9.711 6.232 9.815 1.00 0.00 H new ATOM 0 HB VAL A 21 8.843 5.022 12.063 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.392 7.262 12.979 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.833 7.252 11.934 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.297 7.914 11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.526 5.701 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.353 6.288 10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.609 4.554 11.189 1.00 0.00 H new ATOM 296 N THR A 22 10.582 3.898 9.750 1.00 0.00 N ATOM 297 CA THR A 22 11.115 2.555 9.566 1.00 0.00 C ATOM 298 C THR A 22 12.160 2.228 10.626 1.00 0.00 C ATOM 299 O THR A 22 11.972 1.321 11.438 1.00 0.00 O ATOM 300 CB THR A 22 11.746 2.387 8.171 1.00 0.00 C ATOM 301 OG1 THR A 22 12.697 3.432 7.934 1.00 0.00 O ATOM 302 CG2 THR A 22 10.679 2.412 7.087 1.00 0.00 C ATOM 0 H THR A 22 11.292 4.624 9.843 1.00 0.00 H new ATOM 0 HA THR A 22 10.276 1.866 9.662 1.00 0.00 H new ATOM 0 HB THR A 22 12.251 1.422 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.095 3.317 7.046 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.149 2.292 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.973 1.598 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.149 3.364 7.120 1.00 0.00 H new ATOM 310 N ASP A 23 13.260 2.971 10.615 1.00 0.00 N ATOM 311 CA ASP A 23 14.335 2.761 11.578 1.00 0.00 C ATOM 312 C ASP A 23 13.779 2.624 12.992 1.00 0.00 C ATOM 313 O ASP A 23 12.781 3.254 13.342 1.00 0.00 O ATOM 314 CB ASP A 23 15.334 3.918 11.520 1.00 0.00 C ATOM 315 CG ASP A 23 14.927 5.080 12.404 1.00 0.00 C ATOM 316 OD1 ASP A 23 14.099 5.902 11.959 1.00 0.00 O ATOM 317 OD2 ASP A 23 15.436 5.167 13.542 1.00 0.00 O ATOM 0 H ASP A 23 13.431 3.725 9.950 1.00 0.00 H new ATOM 0 HA ASP A 23 14.847 1.835 11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.317 3.560 11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.426 4.264 10.490 1.00 0.00 H new ATOM 322 N LYS A 24 14.430 1.795 13.800 1.00 0.00 N ATOM 323 CA LYS A 24 14.002 1.573 15.176 1.00 0.00 C ATOM 324 C LYS A 24 14.953 2.250 16.158 1.00 0.00 C ATOM 325 O LYS A 24 15.859 1.616 16.697 1.00 0.00 O ATOM 326 CB LYS A 24 13.927 0.074 15.474 1.00 0.00 C ATOM 327 CG LYS A 24 12.946 -0.278 16.579 1.00 0.00 C ATOM 328 CD LYS A 24 13.610 -0.247 17.945 1.00 0.00 C ATOM 329 CE LYS A 24 12.950 -1.221 18.909 1.00 0.00 C ATOM 330 NZ LYS A 24 13.785 -1.457 20.119 1.00 0.00 N ATOM 0 H LYS A 24 15.257 1.265 13.525 1.00 0.00 H new ATOM 0 HA LYS A 24 13.011 2.011 15.296 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.642 -0.455 14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.919 -0.283 15.753 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.112 0.423 16.563 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.532 -1.270 16.397 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.667 -0.495 17.843 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.557 0.762 18.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.977 -0.831 19.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.771 -2.169 18.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.300 -2.126 20.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.704 -1.853 19.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.935 -0.557 20.618 1.00 0.00 H new ATOM 344 N GLY A 25 14.741 3.543 16.385 1.00 0.00 N ATOM 345 CA GLY A 25 15.587 4.283 17.303 1.00 0.00 C ATOM 346 C GLY A 25 17.027 4.354 16.835 1.00 0.00 C ATOM 347 O GLY A 25 17.947 4.004 17.575 1.00 0.00 O ATOM 0 H GLY A 25 13.999 4.091 15.950 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.196 5.294 17.419 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.550 3.813 18.286 1.00 0.00 H new ATOM 351 N LYS A 26 17.225 4.806 15.601 1.00 0.00 N ATOM 352 CA LYS A 26 18.563 4.922 15.034 1.00 0.00 C ATOM 353 C LYS A 26 18.764 6.289 14.387 1.00 0.00 C ATOM 354 O LYS A 26 17.936 6.738 13.594 1.00 0.00 O ATOM 355 CB LYS A 26 18.798 3.817 14.001 1.00 0.00 C ATOM 356 CG LYS A 26 18.875 2.426 14.605 1.00 0.00 C ATOM 357 CD LYS A 26 19.704 1.489 13.742 1.00 0.00 C ATOM 358 CE LYS A 26 18.891 0.934 12.582 1.00 0.00 C ATOM 359 NZ LYS A 26 19.715 0.074 11.689 1.00 0.00 N ATOM 0 H LYS A 26 16.475 5.098 14.974 1.00 0.00 H new ATOM 0 HA LYS A 26 19.285 4.814 15.844 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.993 3.841 13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.725 4.023 13.465 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.311 2.485 15.602 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.869 2.022 14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 26 20.573 2.021 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.078 0.667 14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.052 0.356 12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.471 1.758 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.125 -0.285 10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.501 0.632 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.095 -0.727 12.233 1.00 0.00 H new ATOM 373 N ARG A 27 19.869 6.944 14.730 1.00 0.00 N ATOM 374 CA ARG A 27 20.178 8.259 14.182 1.00 0.00 C ATOM 375 C ARG A 27 21.011 8.136 12.909 1.00 0.00 C ATOM 376 O ARG A 27 21.967 8.884 12.706 1.00 0.00 O ATOM 377 CB ARG A 27 20.927 9.102 15.215 1.00 0.00 C ATOM 378 CG ARG A 27 20.012 9.834 16.183 1.00 0.00 C ATOM 379 CD ARG A 27 20.745 10.955 16.903 1.00 0.00 C ATOM 380 NE ARG A 27 19.859 11.711 17.784 1.00 0.00 N ATOM 381 CZ ARG A 27 20.287 12.622 18.651 1.00 0.00 C ATOM 382 NH1 ARG A 27 21.582 12.888 18.752 1.00 0.00 N ATOM 383 NH2 ARG A 27 19.419 13.268 19.419 1.00 0.00 N ATOM 0 H ARG A 27 20.564 6.585 15.384 1.00 0.00 H new ATOM 0 HA ARG A 27 19.238 8.752 13.934 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.598 8.456 15.781 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.549 9.830 14.695 1.00 0.00 H new ATOM 0 HG2 ARG A 27 19.160 10.244 15.641 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.615 9.129 16.914 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.565 10.536 17.486 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.188 11.629 16.169 1.00 0.00 H new ATOM 0 HE ARG A 27 18.857 11.530 17.731 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.252 12.393 18.163 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.908 13.588 19.418 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.422 13.065 19.344 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.749 13.967 20.084 1.00 0.00 H new ATOM 397 N VAL A 28 20.641 7.186 12.055 1.00 0.00 N ATOM 398 CA VAL A 28 21.353 6.965 10.802 1.00 0.00 C ATOM 399 C VAL A 28 20.691 7.718 9.654 1.00 0.00 C ATOM 400 O VAL A 28 19.535 8.129 9.751 1.00 0.00 O ATOM 401 CB VAL A 28 21.417 5.467 10.450 1.00 0.00 C ATOM 402 CG1 VAL A 28 22.172 4.698 11.523 1.00 0.00 C ATOM 403 CG2 VAL A 28 20.016 4.903 10.265 1.00 0.00 C ATOM 0 H VAL A 28 19.852 6.558 12.208 1.00 0.00 H new ATOM 0 HA VAL A 28 22.366 7.341 10.943 1.00 0.00 H new ATOM 0 HB VAL A 28 21.956 5.356 9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 28 22.207 3.642 11.257 1.00 0.00 H new ATOM 0 HG12 VAL A 28 23.188 5.086 11.602 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.663 4.815 12.480 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.080 3.844 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.450 5.026 11.188 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.513 5.435 9.457 1.00 0.00 H new ATOM 413 N GLY A 29 21.432 7.896 8.565 1.00 0.00 N ATOM 414 CA GLY A 29 20.901 8.599 7.412 1.00 0.00 C ATOM 415 C GLY A 29 20.456 10.009 7.747 1.00 0.00 C ATOM 416 O GLY A 29 20.704 10.501 8.847 1.00 0.00 O ATOM 0 H GLY A 29 22.391 7.566 8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 29 21.661 8.637 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.056 8.041 7.007 1.00 0.00 H new ATOM 420 N GLY A 30 19.796 10.663 6.795 1.00 0.00 N ATOM 421 CA GLY A 30 19.328 12.019 7.014 1.00 0.00 C ATOM 422 C GLY A 30 17.884 12.208 6.594 1.00 0.00 C ATOM 423 O GLY A 30 16.964 11.860 7.334 1.00 0.00 O ATOM 0 H GLY A 30 19.577 10.277 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.432 12.270 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.959 12.712 6.458 1.00 0.00 H new ATOM 427 N SER A 31 17.684 12.764 5.403 1.00 0.00 N ATOM 428 CA SER A 31 16.341 13.005 4.888 1.00 0.00 C ATOM 429 C SER A 31 15.787 11.755 4.211 1.00 0.00 C ATOM 430 O SER A 31 16.458 11.133 3.387 1.00 0.00 O ATOM 431 CB SER A 31 16.353 14.172 3.899 1.00 0.00 C ATOM 432 OG SER A 31 16.974 15.313 4.464 1.00 0.00 O ATOM 0 H SER A 31 18.435 13.056 4.777 1.00 0.00 H new ATOM 0 HA SER A 31 15.696 13.258 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.881 13.878 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.331 14.417 3.608 1.00 0.00 H new ATOM 0 HG SER A 31 16.970 16.044 3.811 1.00 0.00 H new ATOM 438 N ILE A 32 14.558 11.393 4.566 1.00 0.00 N ATOM 439 CA ILE A 32 13.913 10.219 3.992 1.00 0.00 C ATOM 440 C ILE A 32 13.770 10.354 2.480 1.00 0.00 C ATOM 441 O ILE A 32 13.300 11.376 1.980 1.00 0.00 O ATOM 442 CB ILE A 32 12.522 9.983 4.609 1.00 0.00 C ATOM 443 CG1 ILE A 32 12.638 9.787 6.123 1.00 0.00 C ATOM 444 CG2 ILE A 32 11.853 8.779 3.964 1.00 0.00 C ATOM 445 CD1 ILE A 32 11.321 9.934 6.853 1.00 0.00 C ATOM 0 H ILE A 32 13.990 11.896 5.248 1.00 0.00 H new ATOM 0 HA ILE A 32 14.552 9.365 4.219 1.00 0.00 H new ATOM 0 HB ILE A 32 11.904 10.861 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.047 8.796 6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.348 10.511 6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.871 8.626 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.741 8.955 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.467 7.893 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.478 9.782 7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.921 10.933 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.614 9.192 6.481 1.00 0.00 H new ATOM 457 N ARG A 33 14.176 9.315 1.758 1.00 0.00 N ATOM 458 CA ARG A 33 14.092 9.317 0.302 1.00 0.00 C ATOM 459 C ARG A 33 12.666 9.602 -0.160 1.00 0.00 C ATOM 460 O ARG A 33 11.700 9.431 0.584 1.00 0.00 O ATOM 461 CB ARG A 33 14.562 7.973 -0.259 1.00 0.00 C ATOM 462 CG ARG A 33 16.052 7.924 -0.554 1.00 0.00 C ATOM 463 CD ARG A 33 16.874 7.946 0.726 1.00 0.00 C ATOM 464 NE ARG A 33 18.285 8.218 0.465 1.00 0.00 N ATOM 465 CZ ARG A 33 19.120 8.707 1.376 1.00 0.00 C ATOM 466 NH1 ARG A 33 18.687 8.975 2.600 1.00 0.00 N ATOM 467 NH2 ARG A 33 20.390 8.928 1.062 1.00 0.00 N ATOM 0 H ARG A 33 14.566 8.461 2.157 1.00 0.00 H new ATOM 0 HA ARG A 33 14.742 10.107 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.315 7.185 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.012 7.759 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.282 7.022 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.328 8.773 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.477 8.706 1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.778 6.987 1.235 1.00 0.00 H new ATOM 0 HE ARG A 33 18.649 8.022 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.711 8.806 2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.330 9.350 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.726 8.723 0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.030 9.303 1.762 1.00 0.00 H new ATOM 481 N PRO A 34 12.529 10.049 -1.417 1.00 0.00 N ATOM 482 CA PRO A 34 11.226 10.368 -2.007 1.00 0.00 C ATOM 483 C PRO A 34 10.381 9.123 -2.253 1.00 0.00 C ATOM 484 O PRO A 34 10.811 8.004 -1.974 1.00 0.00 O ATOM 485 CB PRO A 34 11.591 11.037 -3.334 1.00 0.00 C ATOM 486 CG PRO A 34 12.937 10.497 -3.673 1.00 0.00 C ATOM 487 CD PRO A 34 13.637 10.276 -2.360 1.00 0.00 C ATOM 0 HA PRO A 34 10.624 10.995 -1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.863 10.801 -4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.613 12.122 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.854 9.565 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.492 11.196 -4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.310 9.420 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.237 11.140 -2.074 1.00 0.00 H new ATOM 495 N TRP A 35 9.178 9.324 -2.778 1.00 0.00 N ATOM 496 CA TRP A 35 8.272 8.217 -3.062 1.00 0.00 C ATOM 497 C TRP A 35 9.004 7.086 -3.777 1.00 0.00 C ATOM 498 O TRP A 35 9.877 7.327 -4.611 1.00 0.00 O ATOM 499 CB TRP A 35 7.096 8.698 -3.913 1.00 0.00 C ATOM 500 CG TRP A 35 6.232 9.705 -3.217 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.466 11.045 -3.101 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.996 9.452 -2.539 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.451 11.641 -2.391 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.536 10.685 -2.037 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.233 8.304 -2.310 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.349 10.799 -1.319 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.055 8.419 -1.597 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.621 9.659 -1.109 1.00 0.00 C ATOM 0 H TRP A 35 8.807 10.244 -3.016 1.00 0.00 H new ATOM 0 HA TRP A 35 7.893 7.838 -2.113 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.479 9.134 -4.836 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.486 7.840 -4.195 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.323 11.561 -3.508 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.389 12.634 -2.165 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.558 7.344 -2.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.014 11.754 -0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.458 7.538 -1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.695 9.716 -0.557 1.00 0.00 H new ATOM 519 N LYS A 36 8.642 5.851 -3.446 1.00 0.00 N ATOM 520 CA LYS A 36 9.263 4.681 -4.057 1.00 0.00 C ATOM 521 C LYS A 36 8.250 3.900 -4.889 1.00 0.00 C ATOM 522 O LYS A 36 7.597 2.986 -4.388 1.00 0.00 O ATOM 523 CB LYS A 36 9.861 3.775 -2.979 1.00 0.00 C ATOM 524 CG LYS A 36 11.009 4.413 -2.216 1.00 0.00 C ATOM 525 CD LYS A 36 11.661 3.426 -1.262 1.00 0.00 C ATOM 526 CE LYS A 36 12.781 2.653 -1.940 1.00 0.00 C ATOM 527 NZ LYS A 36 12.267 1.757 -3.012 1.00 0.00 N ATOM 0 H LYS A 36 7.921 5.634 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 36 10.060 5.025 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.077 3.497 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.212 2.854 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.753 4.785 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.642 5.273 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.057 3.960 -0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.911 2.729 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.500 3.353 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.315 2.061 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.978 1.029 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.389 1.300 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.074 2.315 -3.868 1.00 0.00 H new ATOM 541 N GLN A 37 8.127 4.267 -6.160 1.00 0.00 N ATOM 542 CA GLN A 37 7.195 3.599 -7.061 1.00 0.00 C ATOM 543 C GLN A 37 7.565 2.130 -7.235 1.00 0.00 C ATOM 544 O GLN A 37 8.643 1.806 -7.733 1.00 0.00 O ATOM 545 CB GLN A 37 7.177 4.298 -8.421 1.00 0.00 C ATOM 546 CG GLN A 37 6.079 3.801 -9.346 1.00 0.00 C ATOM 547 CD GLN A 37 5.766 4.780 -10.461 1.00 0.00 C ATOM 548 OE1 GLN A 37 6.666 5.399 -11.029 1.00 0.00 O ATOM 549 NE2 GLN A 37 4.486 4.924 -10.781 1.00 0.00 N ATOM 0 H GLN A 37 8.661 5.023 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 37 6.200 3.654 -6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.054 5.370 -8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.142 4.155 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.379 2.847 -9.779 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.175 3.617 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.773 4.391 -10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.215 5.568 -11.524 1.00 0.00 H new ATOM 558 N MET A 38 6.663 1.244 -6.823 1.00 0.00 N ATOM 559 CA MET A 38 6.895 -0.191 -6.935 1.00 0.00 C ATOM 560 C MET A 38 5.575 -0.954 -6.973 1.00 0.00 C ATOM 561 O MET A 38 4.673 -0.692 -6.177 1.00 0.00 O ATOM 562 CB MET A 38 7.749 -0.684 -5.765 1.00 0.00 C ATOM 563 CG MET A 38 7.168 -0.343 -4.403 1.00 0.00 C ATOM 564 SD MET A 38 8.389 -0.450 -3.080 1.00 0.00 S ATOM 565 CE MET A 38 8.822 -2.186 -3.158 1.00 0.00 C ATOM 0 H MET A 38 5.765 1.495 -6.409 1.00 0.00 H new ATOM 0 HA MET A 38 7.428 -0.376 -7.868 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.865 -1.765 -5.841 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.746 -0.250 -5.845 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.755 0.666 -4.431 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.342 -1.020 -4.185 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.627 -2.653 -2.193 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.224 -2.676 -3.926 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.879 -2.287 -3.402 1.00 0.00 H new ATOM 575 N TYR A 39 5.468 -1.897 -7.903 1.00 0.00 N ATOM 576 CA TYR A 39 4.257 -2.695 -8.046 1.00 0.00 C ATOM 577 C TYR A 39 3.763 -3.184 -6.688 1.00 0.00 C ATOM 578 O TYR A 39 4.439 -3.958 -6.010 1.00 0.00 O ATOM 579 CB TYR A 39 4.514 -3.889 -8.968 1.00 0.00 C ATOM 580 CG TYR A 39 3.267 -4.408 -9.647 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.857 -3.901 -10.874 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.499 -5.408 -9.062 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.718 -4.372 -11.497 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.359 -5.887 -9.679 1.00 0.00 C ATOM 585 CZ TYR A 39 0.973 -5.365 -10.896 1.00 0.00 C ATOM 586 OH TYR A 39 -0.161 -5.838 -11.515 1.00 0.00 O ATOM 0 H TYR A 39 6.206 -2.127 -8.569 1.00 0.00 H new ATOM 0 HA TYR A 39 3.486 -2.063 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.239 -3.600 -9.729 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.964 -4.695 -8.388 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.439 -3.125 -11.349 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.798 -5.818 -8.109 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.412 -3.965 -12.450 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.774 -6.665 -9.211 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.569 -6.536 -10.961 1.00 0.00 H new ATOM 596 N VAL A 40 2.578 -2.727 -6.297 1.00 0.00 N ATOM 597 CA VAL A 40 1.991 -3.118 -5.021 1.00 0.00 C ATOM 598 C VAL A 40 0.845 -4.103 -5.222 1.00 0.00 C ATOM 599 O VAL A 40 -0.130 -3.806 -5.913 1.00 0.00 O ATOM 600 CB VAL A 40 1.470 -1.894 -4.244 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.754 -2.332 -2.976 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.613 -0.944 -3.920 1.00 0.00 C ATOM 0 H VAL A 40 2.005 -2.085 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 40 2.781 -3.597 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 40 0.754 -1.364 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.393 -1.454 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.090 -2.971 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.445 -2.886 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.228 -0.085 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.354 -1.461 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.077 -0.604 -4.846 1.00 0.00 H new ATOM 612 N VAL A 41 0.968 -5.279 -4.614 1.00 0.00 N ATOM 613 CA VAL A 41 -0.058 -6.309 -4.725 1.00 0.00 C ATOM 614 C VAL A 41 -0.755 -6.536 -3.388 1.00 0.00 C ATOM 615 O VAL A 41 -0.115 -6.546 -2.335 1.00 0.00 O ATOM 616 CB VAL A 41 0.536 -7.642 -5.214 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.538 -8.717 -5.270 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.195 -7.465 -6.574 1.00 0.00 C ATOM 0 H VAL A 41 1.769 -5.542 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.785 -5.954 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 41 1.299 -7.961 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.099 -9.652 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.960 -8.862 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.326 -8.409 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.610 -8.418 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.454 -7.122 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.995 -6.728 -6.498 1.00 0.00 H new ATOM 628 N LEU A 42 -2.070 -6.717 -3.436 1.00 0.00 N ATOM 629 CA LEU A 42 -2.856 -6.945 -2.229 1.00 0.00 C ATOM 630 C LEU A 42 -3.395 -8.372 -2.191 1.00 0.00 C ATOM 631 O LEU A 42 -4.240 -8.749 -3.003 1.00 0.00 O ATOM 632 CB LEU A 42 -4.014 -5.949 -2.154 1.00 0.00 C ATOM 633 CG LEU A 42 -5.081 -6.237 -1.097 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.505 -6.075 0.301 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.283 -5.323 -1.290 1.00 0.00 C ATOM 0 H LEU A 42 -2.615 -6.710 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.203 -6.799 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.602 -4.958 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.499 -5.912 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.412 -7.269 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.279 -6.284 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.677 -6.771 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.146 -5.054 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.032 -5.542 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.968 -4.283 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.711 -5.488 -2.279 1.00 0.00 H new ATOM 647 N ARG A 43 -2.902 -9.160 -1.241 1.00 0.00 N ATOM 648 CA ARG A 43 -3.335 -10.545 -1.096 1.00 0.00 C ATOM 649 C ARG A 43 -3.902 -10.794 0.298 1.00 0.00 C ATOM 650 O ARG A 43 -3.160 -11.064 1.242 1.00 0.00 O ATOM 651 CB ARG A 43 -2.167 -11.497 -1.362 1.00 0.00 C ATOM 652 CG ARG A 43 -1.709 -11.509 -2.811 1.00 0.00 C ATOM 653 CD ARG A 43 -0.473 -12.375 -2.997 1.00 0.00 C ATOM 654 NE ARG A 43 -0.787 -13.800 -2.927 1.00 0.00 N ATOM 655 CZ ARG A 43 0.068 -14.759 -3.265 1.00 0.00 C ATOM 656 NH1 ARG A 43 1.283 -14.447 -3.694 1.00 0.00 N ATOM 657 NH2 ARG A 43 -0.292 -16.033 -3.174 1.00 0.00 N ATOM 0 H ARG A 43 -2.203 -8.863 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.121 -10.733 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.327 -11.215 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.459 -12.507 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.514 -11.881 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.493 -10.491 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.016 -12.152 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.262 -12.128 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.714 -14.074 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.563 -13.469 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.938 -15.185 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.226 -16.277 -2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.365 -16.768 -3.434 1.00 0.00 H new ATOM 671 N GLY A 44 -5.222 -10.702 0.420 1.00 0.00 N ATOM 672 CA GLY A 44 -5.866 -10.919 1.702 1.00 0.00 C ATOM 673 C GLY A 44 -5.638 -9.773 2.668 1.00 0.00 C ATOM 674 O GLY A 44 -6.301 -8.739 2.583 1.00 0.00 O ATOM 0 H GLY A 44 -5.858 -10.481 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.937 -11.053 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.489 -11.842 2.143 1.00 0.00 H new ATOM 678 N HIS A 45 -4.698 -9.957 3.589 1.00 0.00 N ATOM 679 CA HIS A 45 -4.385 -8.930 4.576 1.00 0.00 C ATOM 680 C HIS A 45 -2.901 -8.577 4.541 1.00 0.00 C ATOM 681 O HIS A 45 -2.384 -7.931 5.453 1.00 0.00 O ATOM 682 CB HIS A 45 -4.775 -9.403 5.977 1.00 0.00 C ATOM 683 CG HIS A 45 -4.426 -10.834 6.245 1.00 0.00 C ATOM 684 ND1 HIS A 45 -5.223 -11.889 5.852 1.00 0.00 N ATOM 685 CD2 HIS A 45 -3.358 -11.384 6.869 1.00 0.00 C ATOM 686 CE1 HIS A 45 -4.660 -13.025 6.224 1.00 0.00 C ATOM 687 NE2 HIS A 45 -3.527 -12.746 6.843 1.00 0.00 N ATOM 0 H HIS A 45 -4.140 -10.807 3.673 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.959 -8.037 4.329 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.280 -8.772 6.715 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.848 -9.268 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.527 -10.850 7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.059 -14.014 6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.883 -13.431 7.237 1.00 0.00 H new ATOM 696 N SER A 46 -2.221 -9.005 3.482 1.00 0.00 N ATOM 697 CA SER A 46 -0.795 -8.738 3.330 1.00 0.00 C ATOM 698 C SER A 46 -0.515 -8.017 2.015 1.00 0.00 C ATOM 699 O SER A 46 -1.030 -8.398 0.962 1.00 0.00 O ATOM 700 CB SER A 46 -0.001 -10.044 3.388 1.00 0.00 C ATOM 701 OG SER A 46 -0.345 -10.799 4.537 1.00 0.00 O ATOM 0 H SER A 46 -2.634 -9.538 2.717 1.00 0.00 H new ATOM 0 HA SER A 46 -0.481 -8.094 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.196 -10.632 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.067 -9.824 3.400 1.00 0.00 H new ATOM 0 HG SER A 46 0.175 -11.630 4.550 1.00 0.00 H new ATOM 707 N LEU A 47 0.304 -6.974 2.082 1.00 0.00 N ATOM 708 CA LEU A 47 0.655 -6.198 0.897 1.00 0.00 C ATOM 709 C LEU A 47 2.066 -6.533 0.425 1.00 0.00 C ATOM 710 O LEU A 47 3.046 -6.246 1.113 1.00 0.00 O ATOM 711 CB LEU A 47 0.545 -4.701 1.193 1.00 0.00 C ATOM 712 CG LEU A 47 -0.820 -4.064 0.934 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.820 -2.606 1.369 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.195 -4.184 -0.536 1.00 0.00 C ATOM 0 H LEU A 47 0.738 -6.645 2.945 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.045 -6.457 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.807 -4.538 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.288 -4.177 0.592 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.566 -4.598 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.800 -2.169 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.598 -2.544 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.063 -2.059 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.170 -3.725 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.447 -3.676 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.237 -5.237 -0.816 1.00 0.00 H new ATOM 726 N TYR A 48 2.161 -7.139 -0.753 1.00 0.00 N ATOM 727 CA TYR A 48 3.452 -7.513 -1.318 1.00 0.00 C ATOM 728 C TYR A 48 3.861 -6.549 -2.428 1.00 0.00 C ATOM 729 O TYR A 48 3.197 -6.455 -3.461 1.00 0.00 O ATOM 730 CB TYR A 48 3.400 -8.942 -1.861 1.00 0.00 C ATOM 731 CG TYR A 48 3.023 -9.972 -0.821 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.903 -10.312 0.199 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.786 -10.604 -0.857 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.563 -11.254 1.151 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.437 -11.546 0.091 1.00 0.00 C ATOM 736 CZ TYR A 48 2.329 -11.867 1.093 1.00 0.00 C ATOM 737 OH TYR A 48 1.986 -12.804 2.041 1.00 0.00 O ATOM 0 H TYR A 48 1.359 -7.382 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 48 4.197 -7.460 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.681 -8.985 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.374 -9.199 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.869 -9.832 0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.085 -10.354 -1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.260 -11.509 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.472 -12.028 0.048 1.00 0.00 H new ATOM 0 HH TYR A 48 1.083 -13.139 1.858 1.00 0.00 H new ATOM 747 N LEU A 49 4.960 -5.836 -2.207 1.00 0.00 N ATOM 748 CA LEU A 49 5.460 -4.879 -3.188 1.00 0.00 C ATOM 749 C LEU A 49 6.627 -5.466 -3.975 1.00 0.00 C ATOM 750 O LEU A 49 7.288 -6.400 -3.522 1.00 0.00 O ATOM 751 CB LEU A 49 5.897 -3.588 -2.493 1.00 0.00 C ATOM 752 CG LEU A 49 4.856 -2.927 -1.588 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.780 -3.646 -0.250 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.181 -1.455 -1.387 1.00 0.00 C ATOM 0 H LEU A 49 5.521 -5.902 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 49 4.652 -4.654 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.784 -3.802 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.193 -2.870 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 49 3.882 -3.000 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.034 -3.162 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.499 -4.687 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.752 -3.605 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.430 -1.001 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.163 -1.359 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.183 -0.948 -2.352 1.00 0.00 H new ATOM 766 N TYR A 50 6.877 -4.909 -5.155 1.00 0.00 N ATOM 767 CA TYR A 50 7.965 -5.378 -6.006 1.00 0.00 C ATOM 768 C TYR A 50 8.565 -4.226 -6.806 1.00 0.00 C ATOM 769 O TYR A 50 7.854 -3.495 -7.495 1.00 0.00 O ATOM 770 CB TYR A 50 7.464 -6.467 -6.956 1.00 0.00 C ATOM 771 CG TYR A 50 6.676 -7.557 -6.266 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.308 -8.491 -5.454 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.299 -7.653 -6.426 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.591 -9.489 -4.822 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.574 -8.646 -5.797 1.00 0.00 C ATOM 776 CZ TYR A 50 5.225 -9.562 -4.997 1.00 0.00 C ATOM 777 OH TYR A 50 4.507 -10.554 -4.368 1.00 0.00 O ATOM 0 H TYR A 50 6.342 -4.133 -5.544 1.00 0.00 H new ATOM 0 HA TYR A 50 8.741 -5.794 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.840 -6.009 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.318 -6.914 -7.465 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.378 -8.436 -5.315 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.787 -6.939 -7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.097 -10.208 -4.195 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.504 -8.705 -5.931 1.00 0.00 H new ATOM 0 HH TYR A 50 3.558 -10.464 -4.594 1.00 0.00 H new ATOM 787 N LYS A 51 9.881 -4.070 -6.710 1.00 0.00 N ATOM 788 CA LYS A 51 10.581 -3.010 -7.425 1.00 0.00 C ATOM 789 C LYS A 51 10.058 -2.878 -8.851 1.00 0.00 C ATOM 790 O LYS A 51 9.977 -1.776 -9.394 1.00 0.00 O ATOM 791 CB LYS A 51 12.086 -3.288 -7.446 1.00 0.00 C ATOM 792 CG LYS A 51 12.432 -4.740 -7.725 1.00 0.00 C ATOM 793 CD LYS A 51 12.695 -4.977 -9.203 1.00 0.00 C ATOM 794 CE LYS A 51 12.977 -6.444 -9.491 1.00 0.00 C ATOM 795 NZ LYS A 51 14.371 -6.822 -9.129 1.00 0.00 N ATOM 0 H LYS A 51 10.485 -4.665 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 51 10.398 -2.071 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.553 -2.660 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.514 -2.999 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.313 -5.022 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.615 -5.380 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.833 -4.650 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.543 -4.372 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.276 -7.065 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.809 -6.645 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.524 -7.829 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.041 -6.247 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.524 -6.654 -8.114 1.00 0.00 H new ATOM 809 N ASP A 52 9.702 -4.008 -9.453 1.00 0.00 N ATOM 810 CA ASP A 52 9.183 -4.018 -10.816 1.00 0.00 C ATOM 811 C ASP A 52 8.117 -5.096 -10.984 1.00 0.00 C ATOM 812 O ASP A 52 7.787 -5.811 -10.037 1.00 0.00 O ATOM 813 CB ASP A 52 10.319 -4.246 -11.815 1.00 0.00 C ATOM 814 CG ASP A 52 10.863 -5.660 -11.760 1.00 0.00 C ATOM 815 OD1 ASP A 52 10.261 -6.500 -11.059 1.00 0.00 O ATOM 816 OD2 ASP A 52 11.891 -5.926 -12.417 1.00 0.00 O ATOM 0 H ASP A 52 9.763 -4.929 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 52 8.726 -3.048 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.960 -4.037 -12.823 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.125 -3.541 -11.611 1.00 0.00 H new ATOM 821 N LYS A 53 7.581 -5.207 -12.194 1.00 0.00 N ATOM 822 CA LYS A 53 6.552 -6.198 -12.488 1.00 0.00 C ATOM 823 C LYS A 53 7.167 -7.460 -13.084 1.00 0.00 C ATOM 824 O LYS A 53 6.513 -8.185 -13.834 1.00 0.00 O ATOM 825 CB LYS A 53 5.516 -5.617 -13.453 1.00 0.00 C ATOM 826 CG LYS A 53 4.144 -6.256 -13.328 1.00 0.00 C ATOM 827 CD LYS A 53 3.243 -5.873 -14.491 1.00 0.00 C ATOM 828 CE LYS A 53 1.927 -6.634 -14.450 1.00 0.00 C ATOM 829 NZ LYS A 53 2.049 -7.985 -15.065 1.00 0.00 N ATOM 0 H LYS A 53 7.842 -4.623 -12.988 1.00 0.00 H new ATOM 0 HA LYS A 53 6.059 -6.462 -11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.426 -4.545 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.874 -5.741 -14.475 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.249 -7.340 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.681 -5.947 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.046 -4.801 -14.462 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.754 -6.078 -15.432 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.597 -6.734 -13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.161 -6.064 -14.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.131 -8.472 -15.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.339 -7.889 -16.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.762 -8.539 -14.548 1.00 0.00 H new ATOM 843 N ARG A 54 8.426 -7.717 -12.746 1.00 0.00 N ATOM 844 CA ARG A 54 9.128 -8.892 -13.248 1.00 0.00 C ATOM 845 C ARG A 54 9.179 -9.988 -12.189 1.00 0.00 C ATOM 846 O ARG A 54 9.417 -9.717 -11.013 1.00 0.00 O ATOM 847 CB ARG A 54 10.547 -8.518 -13.681 1.00 0.00 C ATOM 848 CG ARG A 54 11.438 -9.720 -13.947 1.00 0.00 C ATOM 849 CD ARG A 54 12.670 -9.332 -14.751 1.00 0.00 C ATOM 850 NE ARG A 54 13.562 -8.456 -13.996 1.00 0.00 N ATOM 851 CZ ARG A 54 13.509 -7.130 -14.052 1.00 0.00 C ATOM 852 NH1 ARG A 54 12.611 -6.530 -14.822 1.00 0.00 N ATOM 853 NH2 ARG A 54 14.355 -6.400 -13.336 1.00 0.00 N ATOM 0 H ARG A 54 8.981 -7.127 -12.126 1.00 0.00 H new ATOM 0 HA ARG A 54 8.581 -9.271 -14.111 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.494 -7.909 -14.583 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.004 -7.902 -12.907 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.745 -10.164 -13.000 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.874 -10.480 -14.487 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.209 -10.232 -15.045 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.361 -8.831 -15.669 1.00 0.00 H new ATOM 0 HE ARG A 54 14.264 -8.886 -13.393 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.958 -7.087 -15.373 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.573 -5.512 -14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.047 -6.857 -12.742 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.313 -5.382 -13.380 1.00 0.00 H new ATOM 867 N GLU A 55 8.954 -11.227 -12.616 1.00 0.00 N ATOM 868 CA GLU A 55 8.974 -12.364 -11.703 1.00 0.00 C ATOM 869 C GLU A 55 8.121 -12.086 -10.468 1.00 0.00 C ATOM 870 O GLU A 55 8.597 -12.184 -9.338 1.00 0.00 O ATOM 871 CB GLU A 55 10.410 -12.684 -11.282 1.00 0.00 C ATOM 872 CG GLU A 55 10.584 -14.090 -10.733 1.00 0.00 C ATOM 873 CD GLU A 55 10.796 -15.121 -11.825 1.00 0.00 C ATOM 874 OE1 GLU A 55 10.094 -15.046 -12.855 1.00 0.00 O ATOM 875 OE2 GLU A 55 11.663 -16.002 -11.649 1.00 0.00 O ATOM 0 H GLU A 55 8.756 -11.469 -13.587 1.00 0.00 H new ATOM 0 HA GLU A 55 8.556 -13.224 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.069 -12.554 -12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.727 -11.966 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.435 -14.107 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.704 -14.360 -10.150 1.00 0.00 H new ATOM 882 N GLN A 56 6.858 -11.738 -10.695 1.00 0.00 N ATOM 883 CA GLN A 56 5.939 -11.444 -9.602 1.00 0.00 C ATOM 884 C GLN A 56 5.363 -12.728 -9.015 1.00 0.00 C ATOM 885 O GLN A 56 4.187 -12.787 -8.655 1.00 0.00 O ATOM 886 CB GLN A 56 4.806 -10.539 -10.090 1.00 0.00 C ATOM 887 CG GLN A 56 4.165 -9.717 -8.983 1.00 0.00 C ATOM 888 CD GLN A 56 2.892 -9.027 -9.432 1.00 0.00 C ATOM 889 OE1 GLN A 56 1.813 -9.280 -8.895 1.00 0.00 O ATOM 890 NE2 GLN A 56 3.010 -8.149 -10.421 1.00 0.00 N ATOM 0 H GLN A 56 6.448 -11.653 -11.625 1.00 0.00 H new ATOM 0 HA GLN A 56 6.497 -10.927 -8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.194 -9.865 -10.854 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.041 -11.153 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.943 -10.366 -8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.876 -8.968 -8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.924 -7.970 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.187 -7.654 -10.764 1.00 0.00 H new ATOM 899 N THR A 57 6.200 -13.757 -8.920 1.00 0.00 N ATOM 900 CA THR A 57 5.774 -15.041 -8.378 1.00 0.00 C ATOM 901 C THR A 57 6.022 -15.113 -6.876 1.00 0.00 C ATOM 902 O THR A 57 5.199 -15.636 -6.124 1.00 0.00 O ATOM 903 CB THR A 57 6.505 -16.211 -9.064 1.00 0.00 C ATOM 904 OG1 THR A 57 7.920 -16.073 -8.891 1.00 0.00 O ATOM 905 CG2 THR A 57 6.173 -16.260 -10.548 1.00 0.00 C ATOM 0 H THR A 57 7.177 -13.726 -9.212 1.00 0.00 H new ATOM 0 HA THR A 57 4.705 -15.127 -8.572 1.00 0.00 H new ATOM 0 HB THR A 57 6.172 -17.140 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.378 -16.821 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.700 -17.094 -11.011 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.099 -16.394 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.482 -15.328 -11.021 1.00 0.00 H new ATOM 913 N THR A 58 7.162 -14.583 -6.442 1.00 0.00 N ATOM 914 CA THR A 58 7.519 -14.588 -5.029 1.00 0.00 C ATOM 915 C THR A 58 7.086 -13.294 -4.349 1.00 0.00 C ATOM 916 O THR A 58 6.936 -12.250 -4.984 1.00 0.00 O ATOM 917 CB THR A 58 9.035 -14.775 -4.833 1.00 0.00 C ATOM 918 OG1 THR A 58 9.754 -13.902 -5.712 1.00 0.00 O ATOM 919 CG2 THR A 58 9.441 -16.217 -5.098 1.00 0.00 C ATOM 0 H THR A 58 7.854 -14.145 -7.050 1.00 0.00 H new ATOM 0 HA THR A 58 6.995 -15.428 -4.573 1.00 0.00 H new ATOM 0 HB THR A 58 9.279 -14.530 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.717 -14.026 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.516 -16.325 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.914 -16.876 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.184 -16.485 -6.123 1.00 0.00 H new ATOM 927 N PRO A 59 6.879 -13.361 -3.025 1.00 0.00 N ATOM 928 CA PRO A 59 6.462 -12.203 -2.229 1.00 0.00 C ATOM 929 C PRO A 59 7.565 -11.158 -2.103 1.00 0.00 C ATOM 930 O PRO A 59 8.676 -11.352 -2.597 1.00 0.00 O ATOM 931 CB PRO A 59 6.141 -12.810 -0.861 1.00 0.00 C ATOM 932 CG PRO A 59 6.963 -14.051 -0.795 1.00 0.00 C ATOM 933 CD PRO A 59 7.038 -14.573 -2.203 1.00 0.00 C ATOM 0 HA PRO A 59 5.623 -11.676 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.395 -12.123 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.078 -13.033 -0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.958 -13.840 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.508 -14.785 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.989 -15.069 -2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.252 -15.301 -2.404 1.00 0.00 H new ATOM 941 N SER A 60 7.251 -10.051 -1.438 1.00 0.00 N ATOM 942 CA SER A 60 8.216 -8.973 -1.250 1.00 0.00 C ATOM 943 C SER A 60 9.635 -9.525 -1.152 1.00 0.00 C ATOM 944 O SER A 60 9.938 -10.331 -0.273 1.00 0.00 O ATOM 945 CB SER A 60 7.879 -8.173 0.009 1.00 0.00 C ATOM 946 OG SER A 60 8.080 -8.951 1.177 1.00 0.00 O ATOM 0 H SER A 60 6.337 -9.877 -1.021 1.00 0.00 H new ATOM 0 HA SER A 60 8.161 -8.314 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.501 -7.279 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.842 -7.839 -0.035 1.00 0.00 H new ATOM 0 HG SER A 60 8.691 -9.690 0.976 1.00 0.00 H new ATOM 952 N GLU A 61 10.499 -9.085 -2.060 1.00 0.00 N ATOM 953 CA GLU A 61 11.886 -9.535 -2.076 1.00 0.00 C ATOM 954 C GLU A 61 12.782 -8.564 -1.313 1.00 0.00 C ATOM 955 O GLU A 61 13.434 -8.941 -0.340 1.00 0.00 O ATOM 956 CB GLU A 61 12.382 -9.679 -3.517 1.00 0.00 C ATOM 957 CG GLU A 61 12.070 -11.032 -4.135 1.00 0.00 C ATOM 958 CD GLU A 61 12.852 -11.285 -5.409 1.00 0.00 C ATOM 959 OE1 GLU A 61 12.871 -10.390 -6.281 1.00 0.00 O ATOM 960 OE2 GLU A 61 13.445 -12.377 -5.535 1.00 0.00 O ATOM 0 H GLU A 61 10.264 -8.417 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 61 11.932 -10.507 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.931 -8.897 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.460 -9.518 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.294 -11.817 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.003 -11.092 -4.350 1.00 0.00 H new ATOM 967 N GLU A 62 12.808 -7.313 -1.763 1.00 0.00 N ATOM 968 CA GLU A 62 13.625 -6.289 -1.123 1.00 0.00 C ATOM 969 C GLU A 62 12.976 -5.805 0.170 1.00 0.00 C ATOM 970 O GLU A 62 13.626 -5.732 1.212 1.00 0.00 O ATOM 971 CB GLU A 62 13.839 -5.109 -2.073 1.00 0.00 C ATOM 972 CG GLU A 62 12.549 -4.425 -2.493 1.00 0.00 C ATOM 973 CD GLU A 62 12.762 -3.401 -3.592 1.00 0.00 C ATOM 974 OE1 GLU A 62 13.873 -2.838 -3.671 1.00 0.00 O ATOM 975 OE2 GLU A 62 11.816 -3.164 -4.373 1.00 0.00 O ATOM 0 H GLU A 62 12.273 -6.985 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 62 14.592 -6.730 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.488 -4.378 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.361 -5.460 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.838 -5.177 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.103 -3.936 -1.627 1.00 0.00 H new ATOM 982 N GLU A 63 11.691 -5.474 0.093 1.00 0.00 N ATOM 983 CA GLU A 63 10.955 -4.995 1.257 1.00 0.00 C ATOM 984 C GLU A 63 10.252 -6.148 1.968 1.00 0.00 C ATOM 985 O GLU A 63 10.315 -7.294 1.525 1.00 0.00 O ATOM 986 CB GLU A 63 9.930 -3.938 0.840 1.00 0.00 C ATOM 987 CG GLU A 63 10.554 -2.621 0.411 1.00 0.00 C ATOM 988 CD GLU A 63 10.816 -1.691 1.579 1.00 0.00 C ATOM 989 OE1 GLU A 63 11.372 -2.156 2.596 1.00 0.00 O ATOM 990 OE2 GLU A 63 10.464 -0.497 1.477 1.00 0.00 O ATOM 0 H GLU A 63 11.138 -5.529 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 63 11.669 -4.546 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.330 -4.330 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.251 -3.754 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.492 -2.820 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.894 -2.126 -0.302 1.00 0.00 H new ATOM 997 N GLN A 64 9.584 -5.834 3.073 1.00 0.00 N ATOM 998 CA GLN A 64 8.870 -6.844 3.847 1.00 0.00 C ATOM 999 C GLN A 64 7.362 -6.657 3.725 1.00 0.00 C ATOM 1000 O GLN A 64 6.865 -5.555 3.491 1.00 0.00 O ATOM 1001 CB GLN A 64 9.288 -6.779 5.317 1.00 0.00 C ATOM 1002 CG GLN A 64 8.603 -5.667 6.095 1.00 0.00 C ATOM 1003 CD GLN A 64 9.276 -4.322 5.907 1.00 0.00 C ATOM 1004 OE1 GLN A 64 8.746 -3.439 5.232 1.00 0.00 O ATOM 1005 NE2 GLN A 64 10.451 -4.159 6.504 1.00 0.00 N ATOM 0 H GLN A 64 9.522 -4.889 3.453 1.00 0.00 H new ATOM 0 HA GLN A 64 9.129 -7.824 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.065 -7.734 5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.368 -6.639 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.562 -5.595 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.597 -5.921 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.853 -4.918 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.951 -3.275 6.413 1.00 0.00 H new ATOM 1014 N PRO A 65 6.614 -7.758 3.888 1.00 0.00 N ATOM 1015 CA PRO A 65 5.150 -7.741 3.801 1.00 0.00 C ATOM 1016 C PRO A 65 4.508 -7.012 4.977 1.00 0.00 C ATOM 1017 O PRO A 65 4.964 -7.128 6.115 1.00 0.00 O ATOM 1018 CB PRO A 65 4.776 -9.225 3.824 1.00 0.00 C ATOM 1019 CG PRO A 65 5.908 -9.890 4.529 1.00 0.00 C ATOM 1020 CD PRO A 65 7.139 -9.105 4.170 1.00 0.00 C ATOM 0 HA PRO A 65 4.801 -7.213 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.834 -9.388 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.653 -9.618 2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.748 -9.893 5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.004 -10.930 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.860 -9.092 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.647 -9.528 3.303 1.00 0.00 H new ATOM 1028 N ILE A 66 3.449 -6.262 4.694 1.00 0.00 N ATOM 1029 CA ILE A 66 2.744 -5.516 5.729 1.00 0.00 C ATOM 1030 C ILE A 66 1.371 -6.120 6.005 1.00 0.00 C ATOM 1031 O ILE A 66 0.580 -6.333 5.086 1.00 0.00 O ATOM 1032 CB ILE A 66 2.571 -4.036 5.338 1.00 0.00 C ATOM 1033 CG1 ILE A 66 3.927 -3.415 4.994 1.00 0.00 C ATOM 1034 CG2 ILE A 66 1.900 -3.265 6.465 1.00 0.00 C ATOM 1035 CD1 ILE A 66 3.823 -2.172 4.139 1.00 0.00 C ATOM 0 H ILE A 66 3.060 -6.155 3.757 1.00 0.00 H new ATOM 0 HA ILE A 66 3.353 -5.577 6.631 1.00 0.00 H new ATOM 0 HB ILE A 66 1.933 -3.981 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.449 -3.168 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.535 -4.155 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.785 -2.221 6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.919 -3.696 6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.515 -3.325 7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.822 -1.786 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.329 -2.417 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.243 -1.415 4.667 1.00 0.00 H new ATOM 1047 N SER A 67 1.096 -6.394 7.276 1.00 0.00 N ATOM 1048 CA SER A 67 -0.181 -6.976 7.673 1.00 0.00 C ATOM 1049 C SER A 67 -1.277 -5.915 7.702 1.00 0.00 C ATOM 1050 O SER A 67 -1.501 -5.265 8.723 1.00 0.00 O ATOM 1051 CB SER A 67 -0.059 -7.637 9.047 1.00 0.00 C ATOM 1052 OG SER A 67 0.259 -6.682 10.045 1.00 0.00 O ATOM 0 H SER A 67 1.740 -6.223 8.048 1.00 0.00 H new ATOM 0 HA SER A 67 -0.452 -7.732 6.936 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.996 -8.134 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.712 -8.407 9.017 1.00 0.00 H new ATOM 0 HG SER A 67 -0.276 -5.873 9.906 1.00 0.00 H new ATOM 1058 N VAL A 68 -1.957 -5.745 6.572 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.030 -4.764 6.467 1.00 0.00 C ATOM 1060 C VAL A 68 -4.348 -5.333 6.981 1.00 0.00 C ATOM 1061 O VAL A 68 -5.424 -4.927 6.544 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.220 -4.293 5.013 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -1.913 -3.757 4.450 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -3.755 -5.428 4.152 1.00 0.00 C ATOM 0 H VAL A 68 -1.784 -6.274 5.717 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.741 -3.912 7.082 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.950 -3.484 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.067 -3.429 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.576 -2.914 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.158 -4.543 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.884 -5.078 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.050 -6.259 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.716 -5.761 4.545 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.255 -6.275 7.914 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.440 -6.901 8.489 1.00 0.00 C ATOM 1076 C ASN A 69 -6.314 -5.867 9.192 1.00 0.00 C ATOM 1077 O ASN A 69 -7.537 -5.879 9.058 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.035 -7.998 9.475 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.186 -8.432 10.362 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -7.277 -8.736 9.878 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -5.948 -8.464 11.668 1.00 0.00 N ATOM 0 H ASN A 69 -3.372 -6.622 8.288 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.016 -7.346 7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.661 -8.860 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.216 -7.639 10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.684 -8.749 12.314 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.029 -8.204 12.025 1.00 0.00 H new ATOM 1088 N ALA A 70 -5.677 -4.973 9.942 1.00 0.00 N ATOM 1089 CA ALA A 70 -6.396 -3.930 10.664 1.00 0.00 C ATOM 1090 C ALA A 70 -5.738 -2.569 10.461 1.00 0.00 C ATOM 1091 O ALA A 70 -5.405 -1.881 11.426 1.00 0.00 O ATOM 1092 CB ALA A 70 -6.468 -4.269 12.145 1.00 0.00 C ATOM 0 H ALA A 70 -4.665 -4.950 10.065 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.409 -3.877 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.007 -3.482 12.673 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.989 -5.217 12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.459 -4.351 12.549 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.554 -2.188 9.202 1.00 0.00 N ATOM 1099 CA CYS A 71 -4.935 -0.909 8.873 1.00 0.00 C ATOM 1100 C CYS A 71 -5.987 0.186 8.737 1.00 0.00 C ATOM 1101 O CYS A 71 -7.095 -0.059 8.256 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.132 -1.026 7.577 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.137 -1.385 6.117 1.00 0.00 S ATOM 0 H CYS A 71 -5.825 -2.746 8.392 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.261 -0.640 9.686 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.590 -0.095 7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.386 -1.812 7.694 1.00 0.00 H new ATOM 0 HG CYS A 71 -6.364 -1.013 6.333 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.636 1.393 9.166 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.551 2.527 9.094 1.00 0.00 C ATOM 1111 C LEU A 72 -6.177 3.456 7.944 1.00 0.00 C ATOM 1112 O LEU A 72 -5.202 4.203 8.029 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.542 3.300 10.414 1.00 0.00 C ATOM 1114 CG LEU A 72 -7.055 4.739 10.352 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -8.565 4.775 10.530 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -6.371 5.595 11.408 1.00 0.00 C ATOM 0 H LEU A 72 -4.724 1.612 9.567 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.555 2.142 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.145 2.751 11.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.521 3.315 10.796 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.815 5.148 9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.912 5.807 10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.039 4.196 9.737 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.828 4.347 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.748 6.616 11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.579 5.188 12.397 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.295 5.595 11.235 1.00 0.00 H new ATOM 1128 N ILE A 73 -6.960 3.406 6.871 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.712 4.246 5.706 1.00 0.00 C ATOM 1130 C ILE A 73 -7.416 5.592 5.839 1.00 0.00 C ATOM 1131 O ILE A 73 -8.476 5.691 6.457 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.180 3.561 4.408 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.256 2.392 4.062 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.225 4.564 3.266 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -6.900 1.359 3.163 1.00 0.00 C ATOM 0 H ILE A 73 -7.771 2.793 6.785 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.635 4.405 5.655 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.186 3.171 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.361 2.779 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.933 1.909 4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.557 4.065 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.920 5.367 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.230 4.981 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.188 0.560 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.779 0.945 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.198 1.828 2.225 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.821 6.625 5.254 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.392 7.966 5.304 1.00 0.00 C ATOM 1149 C ASP A 74 -6.809 8.847 4.203 1.00 0.00 C ATOM 1150 O ASP A 74 -5.591 8.939 4.049 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.137 8.601 6.672 1.00 0.00 C ATOM 1152 CG ASP A 74 -7.971 7.970 7.768 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.183 8.262 7.835 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.412 7.183 8.561 1.00 0.00 O ATOM 0 H ASP A 74 -5.943 6.560 4.739 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.467 7.883 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.081 8.505 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.357 9.667 6.621 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.687 9.491 3.441 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.258 10.364 2.355 1.00 0.00 C ATOM 1161 C ILE A 75 -6.167 11.323 2.819 1.00 0.00 C ATOM 1162 O ILE A 75 -6.454 12.411 3.319 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.437 11.179 1.790 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.489 10.245 1.188 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.943 12.172 0.748 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.725 10.965 0.697 1.00 0.00 C ATOM 0 H ILE A 75 -8.698 9.425 3.555 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.862 9.720 1.569 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.898 11.737 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.044 9.697 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.781 9.509 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.787 12.740 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.227 12.854 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.460 11.634 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.427 10.241 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.194 11.491 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.446 11.682 -0.075 1.00 0.00 H new ATOM 1178 N SER A 76 -4.915 10.914 2.647 1.00 0.00 N ATOM 1179 CA SER A 76 -3.780 11.736 3.049 1.00 0.00 C ATOM 1180 C SER A 76 -4.068 13.215 2.809 1.00 0.00 C ATOM 1181 O SER A 76 -4.827 13.572 1.908 1.00 0.00 O ATOM 1182 CB SER A 76 -2.523 11.318 2.282 1.00 0.00 C ATOM 1183 OG SER A 76 -1.430 12.163 2.597 1.00 0.00 O ATOM 0 H SER A 76 -4.660 10.018 2.232 1.00 0.00 H new ATOM 0 HA SER A 76 -3.613 11.585 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.271 10.286 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.718 11.354 1.210 1.00 0.00 H new ATOM 0 HG SER A 76 -1.510 12.469 3.525 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.456 14.069 3.622 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.648 15.509 3.501 1.00 0.00 C ATOM 1191 C TYR A 77 -3.651 15.937 2.037 1.00 0.00 C ATOM 1192 O TYR A 77 -3.159 15.219 1.167 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.550 16.257 4.260 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.163 15.709 4.014 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.682 14.628 4.743 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.333 16.272 3.053 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.585 14.124 4.522 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.935 15.773 2.824 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.390 14.700 3.561 1.00 0.00 C ATOM 1200 OH TYR A 77 2.653 14.202 3.337 1.00 0.00 O ATOM 0 H TYR A 77 -2.823 13.789 4.371 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.616 15.758 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.573 17.308 3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.764 16.214 5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.310 14.174 5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.685 17.114 2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.943 13.284 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.567 16.221 2.071 1.00 0.00 H new ATOM 0 HH TYR A 77 3.088 14.720 2.627 1.00 0.00 H new ATOM 1210 N SER A 78 -4.210 17.114 1.772 1.00 0.00 N ATOM 1211 CA SER A 78 -4.280 17.639 0.413 1.00 0.00 C ATOM 1212 C SER A 78 -3.084 18.538 0.115 1.00 0.00 C ATOM 1213 O SER A 78 -2.683 18.691 -1.038 1.00 0.00 O ATOM 1214 CB SER A 78 -5.582 18.418 0.212 1.00 0.00 C ATOM 1215 OG SER A 78 -5.674 19.500 1.121 1.00 0.00 O ATOM 0 H SER A 78 -4.621 17.722 2.480 1.00 0.00 H new ATOM 0 HA SER A 78 -4.259 16.796 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.631 18.793 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.433 17.751 0.348 1.00 0.00 H new ATOM 0 HG SER A 78 -6.514 19.983 0.971 1.00 0.00 H new ATOM 1221 N GLU A 79 -2.521 19.129 1.163 1.00 0.00 N ATOM 1222 CA GLU A 79 -1.371 20.014 1.013 1.00 0.00 C ATOM 1223 C GLU A 79 -0.464 19.541 -0.119 1.00 0.00 C ATOM 1224 O GLU A 79 -0.040 20.331 -0.962 1.00 0.00 O ATOM 1225 CB GLU A 79 -0.579 20.083 2.321 1.00 0.00 C ATOM 1226 CG GLU A 79 -1.255 20.915 3.398 1.00 0.00 C ATOM 1227 CD GLU A 79 -1.098 22.406 3.169 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -0.830 22.803 2.016 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -1.242 23.174 4.142 1.00 0.00 O ATOM 0 H GLU A 79 -2.841 19.012 2.124 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.741 21.009 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.426 19.072 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.407 20.500 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.316 20.666 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.836 20.654 4.370 1.00 0.00 H new ATOM 1236 N THR A 80 -0.170 18.244 -0.131 1.00 0.00 N ATOM 1237 CA THR A 80 0.688 17.665 -1.157 1.00 0.00 C ATOM 1238 C THR A 80 0.057 17.795 -2.538 1.00 0.00 C ATOM 1239 O THR A 80 -0.962 17.168 -2.829 1.00 0.00 O ATOM 1240 CB THR A 80 0.976 16.178 -0.874 1.00 0.00 C ATOM 1241 OG1 THR A 80 1.820 15.639 -1.898 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.317 15.380 -0.804 1.00 0.00 C ATOM 0 H THR A 80 -0.514 17.575 0.558 1.00 0.00 H new ATOM 0 HA THR A 80 1.626 18.220 -1.136 1.00 0.00 H new ATOM 0 HB THR A 80 1.482 16.106 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.000 14.694 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.088 14.333 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.945 15.774 -0.005 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.846 15.460 -1.754 1.00 0.00 H new ATOM 1250 N LYS A 81 0.669 18.611 -3.389 1.00 0.00 N ATOM 1251 CA LYS A 81 0.169 18.823 -4.742 1.00 0.00 C ATOM 1252 C LYS A 81 -0.321 17.514 -5.352 1.00 0.00 C ATOM 1253 O LYS A 81 -1.405 17.456 -5.932 1.00 0.00 O ATOM 1254 CB LYS A 81 1.263 19.430 -5.623 1.00 0.00 C ATOM 1255 CG LYS A 81 1.516 20.903 -5.352 1.00 0.00 C ATOM 1256 CD LYS A 81 2.698 21.423 -6.153 1.00 0.00 C ATOM 1257 CE LYS A 81 2.275 21.868 -7.545 1.00 0.00 C ATOM 1258 NZ LYS A 81 1.325 23.013 -7.496 1.00 0.00 N ATOM 0 H LYS A 81 1.514 19.137 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.671 19.515 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.190 18.877 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.986 19.304 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.625 21.478 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.703 21.051 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.156 22.260 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.456 20.644 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.157 22.152 -8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.810 21.032 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.407 23.570 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.353 22.654 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.550 23.616 -6.679 1.00 0.00 H new ATOM 1272 N ARG A 82 0.483 16.464 -5.214 1.00 0.00 N ATOM 1273 CA ARG A 82 0.130 15.156 -5.751 1.00 0.00 C ATOM 1274 C ARG A 82 -1.359 14.878 -5.571 1.00 0.00 C ATOM 1275 O ARG A 82 -1.964 15.291 -4.581 1.00 0.00 O ATOM 1276 CB ARG A 82 0.951 14.061 -5.067 1.00 0.00 C ATOM 1277 CG ARG A 82 2.372 13.946 -5.594 1.00 0.00 C ATOM 1278 CD ARG A 82 3.334 14.815 -4.799 1.00 0.00 C ATOM 1279 NE ARG A 82 3.472 16.148 -5.379 1.00 0.00 N ATOM 1280 CZ ARG A 82 4.082 16.388 -6.534 1.00 0.00 C ATOM 1281 NH1 ARG A 82 4.606 15.388 -7.230 1.00 0.00 N ATOM 1282 NH2 ARG A 82 4.168 17.629 -6.996 1.00 0.00 N ATOM 0 H ARG A 82 1.383 16.494 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 82 0.355 15.156 -6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.985 14.260 -3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.445 13.104 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.696 12.906 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.397 14.240 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.980 14.901 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.311 14.333 -4.761 1.00 0.00 H new ATOM 0 HE ARG A 82 3.078 16.939 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.541 14.433 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.074 15.574 -8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.765 18.400 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.637 17.812 -7.883 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.946 14.174 -6.534 1.00 0.00 N ATOM 1297 CA LYS A 83 -3.364 13.840 -6.482 1.00 0.00 C ATOM 1298 C LYS A 83 -3.567 12.328 -6.501 1.00 0.00 C ATOM 1299 O LYS A 83 -2.738 11.588 -7.028 1.00 0.00 O ATOM 1300 CB LYS A 83 -4.103 14.479 -7.659 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.466 14.190 -9.007 1.00 0.00 C ATOM 1302 CD LYS A 83 -3.826 15.252 -10.033 1.00 0.00 C ATOM 1303 CE LYS A 83 -5.224 15.036 -10.591 1.00 0.00 C ATOM 1304 NZ LYS A 83 -5.301 13.813 -11.436 1.00 0.00 N ATOM 0 H LYS A 83 -1.461 13.824 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.771 14.232 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.132 14.120 -7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.143 15.558 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.383 14.143 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.793 13.213 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.765 16.239 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.101 15.234 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.935 14.954 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.518 15.904 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.142 13.865 -12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.448 13.745 -12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.367 12.973 -10.826 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.676 11.877 -5.924 1.00 0.00 N ATOM 1319 CA ASN A 84 -4.988 10.453 -5.876 1.00 0.00 C ATOM 1320 C ASN A 84 -4.099 9.735 -4.866 1.00 0.00 C ATOM 1321 O ASN A 84 -3.672 8.603 -5.093 1.00 0.00 O ATOM 1322 CB ASN A 84 -4.817 9.825 -7.261 1.00 0.00 C ATOM 1323 CG ASN A 84 -5.052 10.821 -8.380 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -4.309 10.856 -9.361 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -6.090 11.637 -8.238 1.00 0.00 N ATOM 0 H ASN A 84 -5.373 12.477 -5.483 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.026 10.344 -5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.811 9.414 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.512 8.992 -7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.298 12.328 -8.959 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.679 11.573 -7.408 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.824 10.401 -3.749 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.986 9.827 -2.703 1.00 0.00 C ATOM 1334 C VAL A 85 -3.813 9.467 -1.473 1.00 0.00 C ATOM 1335 O VAL A 85 -4.791 10.142 -1.150 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.863 10.795 -2.287 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.019 10.189 -1.177 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -1.001 11.157 -3.487 1.00 0.00 C ATOM 0 H VAL A 85 -4.169 11.339 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.540 8.922 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.318 11.709 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.231 10.888 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.649 9.986 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.572 9.259 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.212 11.842 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.554 10.253 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.618 11.636 -4.247 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.414 8.399 -0.791 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.118 7.948 0.404 1.00 0.00 C ATOM 1350 C PHE A 86 -3.138 7.406 1.441 1.00 0.00 C ATOM 1351 O PHE A 86 -2.168 6.729 1.099 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.143 6.872 0.042 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.610 5.828 -0.898 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.263 6.160 -2.197 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.457 4.516 -0.482 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.772 5.202 -3.065 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.966 3.554 -1.344 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.624 3.897 -2.638 1.00 0.00 C ATOM 0 H PHE A 86 -2.607 7.829 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.637 8.804 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.486 6.386 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.013 7.348 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.377 7.179 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.724 4.242 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.505 5.474 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.850 2.535 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.242 3.146 -3.314 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.399 7.708 2.708 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.541 7.252 3.795 1.00 0.00 C ATOM 1370 C ARG A 87 -2.982 5.881 4.298 1.00 0.00 C ATOM 1371 O ARG A 87 -4.111 5.453 4.057 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.560 8.260 4.945 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.333 9.155 4.993 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.547 10.348 5.911 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.974 9.940 7.247 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.448 10.784 8.156 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -2.556 12.075 7.875 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.816 10.337 9.350 1.00 0.00 N ATOM 0 H ARG A 87 -4.198 8.267 3.008 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.524 7.168 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.450 8.883 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.642 7.720 5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.475 8.579 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.098 9.506 3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.622 10.919 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.297 11.010 5.477 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.904 8.953 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.275 12.423 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.921 12.721 8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.735 9.344 9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.180 10.986 10.048 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.083 5.196 4.997 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.379 3.873 5.534 1.00 0.00 C ATOM 1394 C LEU A 88 -1.489 3.561 6.733 1.00 0.00 C ATOM 1395 O LEU A 88 -0.266 3.682 6.662 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.188 2.808 4.453 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.077 1.364 4.945 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.665 0.405 3.922 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.626 1.011 5.237 1.00 0.00 C ATOM 0 H LEU A 88 -1.144 5.535 5.205 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.418 3.866 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.025 2.870 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.287 3.049 3.889 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.647 1.270 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.577 -0.618 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.716 0.644 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.124 0.500 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.565 -0.020 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.035 1.122 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.237 1.678 6.006 1.00 0.00 H new ATOM 1411 N THR A 89 -2.112 3.155 7.836 1.00 0.00 N ATOM 1412 CA THR A 89 -1.378 2.825 9.051 1.00 0.00 C ATOM 1413 C THR A 89 -1.531 1.349 9.401 1.00 0.00 C ATOM 1414 O THR A 89 -2.645 0.846 9.547 1.00 0.00 O ATOM 1415 CB THR A 89 -1.853 3.676 10.244 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.672 5.067 9.956 1.00 0.00 O ATOM 1417 CG2 THR A 89 -1.088 3.311 11.507 1.00 0.00 C ATOM 0 H THR A 89 -3.123 3.047 7.912 1.00 0.00 H new ATOM 0 HA THR A 89 -0.328 3.043 8.855 1.00 0.00 H new ATOM 0 HB THR A 89 -2.911 3.474 10.408 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.978 5.601 10.718 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.440 3.925 12.336 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.251 2.259 11.740 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.024 3.488 11.352 1.00 0.00 H new ATOM 1425 N THR A 90 -0.403 0.658 9.537 1.00 0.00 N ATOM 1426 CA THR A 90 -0.412 -0.761 9.870 1.00 0.00 C ATOM 1427 C THR A 90 0.299 -1.020 11.193 1.00 0.00 C ATOM 1428 O THR A 90 1.280 -0.353 11.522 1.00 0.00 O ATOM 1429 CB THR A 90 0.259 -1.601 8.767 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.671 -1.361 8.759 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.325 -1.268 7.402 1.00 0.00 C ATOM 0 H THR A 90 0.528 1.058 9.422 1.00 0.00 H new ATOM 0 HA THR A 90 -1.457 -1.058 9.958 1.00 0.00 H new ATOM 0 HB THR A 90 0.071 -2.654 8.978 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.839 -0.399 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.165 -1.874 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.394 -1.480 7.402 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.164 -0.212 7.185 1.00 0.00 H new ATOM 1439 N SER A 91 -0.201 -1.992 11.948 1.00 0.00 N ATOM 1440 CA SER A 91 0.385 -2.337 13.238 1.00 0.00 C ATOM 1441 C SER A 91 1.907 -2.391 13.146 1.00 0.00 C ATOM 1442 O SER A 91 2.608 -2.163 14.132 1.00 0.00 O ATOM 1443 CB SER A 91 -0.157 -3.682 13.725 1.00 0.00 C ATOM 1444 OG SER A 91 0.327 -4.747 12.924 1.00 0.00 O ATOM 0 H SER A 91 -1.011 -2.555 11.689 1.00 0.00 H new ATOM 0 HA SER A 91 0.109 -1.562 13.954 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.136 -3.841 14.763 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.247 -3.669 13.699 1.00 0.00 H new ATOM 0 HG SER A 91 -0.032 -5.596 13.257 1.00 0.00 H new ATOM 1450 N ASP A 92 2.410 -2.695 11.955 1.00 0.00 N ATOM 1451 CA ASP A 92 3.849 -2.779 11.732 1.00 0.00 C ATOM 1452 C ASP A 92 4.459 -1.388 11.592 1.00 0.00 C ATOM 1453 O ASP A 92 5.238 -0.952 12.440 1.00 0.00 O ATOM 1454 CB ASP A 92 4.145 -3.608 10.482 1.00 0.00 C ATOM 1455 CG ASP A 92 4.311 -5.083 10.791 1.00 0.00 C ATOM 1456 OD1 ASP A 92 4.832 -5.406 11.879 1.00 0.00 O ATOM 1457 OD2 ASP A 92 3.921 -5.915 9.945 1.00 0.00 O ATOM 0 H ASP A 92 1.843 -2.887 11.129 1.00 0.00 H new ATOM 0 HA ASP A 92 4.298 -3.267 12.597 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.335 -3.479 9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.053 -3.235 10.009 1.00 0.00 H new ATOM 1462 N CYS A 93 4.101 -0.697 10.515 1.00 0.00 N ATOM 1463 CA CYS A 93 4.615 0.644 10.262 1.00 0.00 C ATOM 1464 C CYS A 93 3.628 1.457 9.431 1.00 0.00 C ATOM 1465 O CYS A 93 2.579 0.954 9.029 1.00 0.00 O ATOM 1466 CB CYS A 93 5.964 0.570 9.544 1.00 0.00 C ATOM 1467 SG CYS A 93 7.352 0.150 10.624 1.00 0.00 S ATOM 0 H CYS A 93 3.457 -1.043 9.804 1.00 0.00 H new ATOM 0 HA CYS A 93 4.750 1.141 11.223 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.900 -0.172 8.748 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.164 1.531 9.070 1.00 0.00 H new ATOM 0 HG CYS A 93 6.909 -0.466 11.680 1.00 0.00 H new ATOM 1473 N GLU A 94 3.970 2.717 9.180 1.00 0.00 N ATOM 1474 CA GLU A 94 3.111 3.600 8.399 1.00 0.00 C ATOM 1475 C GLU A 94 3.729 3.893 7.035 1.00 0.00 C ATOM 1476 O GLU A 94 4.945 3.801 6.860 1.00 0.00 O ATOM 1477 CB GLU A 94 2.868 4.909 9.153 1.00 0.00 C ATOM 1478 CG GLU A 94 1.680 4.855 10.098 1.00 0.00 C ATOM 1479 CD GLU A 94 1.849 5.764 11.300 1.00 0.00 C ATOM 1480 OE1 GLU A 94 2.988 5.883 11.798 1.00 0.00 O ATOM 1481 OE2 GLU A 94 0.843 6.358 11.741 1.00 0.00 O ATOM 0 H GLU A 94 4.835 3.149 9.506 1.00 0.00 H new ATOM 0 HA GLU A 94 2.157 3.095 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.763 5.162 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.711 5.711 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.777 5.138 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.539 3.830 10.440 1.00 0.00 H new ATOM 1488 N CYS A 95 2.884 4.245 6.072 1.00 0.00 N ATOM 1489 CA CYS A 95 3.346 4.550 4.723 1.00 0.00 C ATOM 1490 C CYS A 95 2.242 5.215 3.908 1.00 0.00 C ATOM 1491 O CYS A 95 1.091 5.283 4.340 1.00 0.00 O ATOM 1492 CB CYS A 95 3.817 3.275 4.022 1.00 0.00 C ATOM 1493 SG CYS A 95 2.488 2.111 3.636 1.00 0.00 S ATOM 0 H CYS A 95 1.875 4.326 6.201 1.00 0.00 H new ATOM 0 HA CYS A 95 4.183 5.243 4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.326 3.548 3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.551 2.775 4.654 1.00 0.00 H new ATOM 0 HG CYS A 95 1.902 2.472 2.533 1.00 0.00 H new ATOM 1499 N LEU A 96 2.600 5.707 2.727 1.00 0.00 N ATOM 1500 CA LEU A 96 1.640 6.369 1.851 1.00 0.00 C ATOM 1501 C LEU A 96 1.430 5.568 0.569 1.00 0.00 C ATOM 1502 O LEU A 96 2.257 4.733 0.204 1.00 0.00 O ATOM 1503 CB LEU A 96 2.119 7.781 1.510 1.00 0.00 C ATOM 1504 CG LEU A 96 1.600 8.902 2.411 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.527 10.106 2.353 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.186 9.296 2.011 1.00 0.00 C ATOM 0 H LEU A 96 3.548 5.660 2.354 1.00 0.00 H new ATOM 0 HA LEU A 96 0.688 6.432 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.208 7.791 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.829 8.003 0.483 1.00 0.00 H new ATOM 0 HG LEU A 96 1.577 8.536 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.141 10.894 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.522 9.815 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.582 10.473 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.167 10.095 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.184 9.643 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.473 8.433 2.105 1.00 0.00 H new ATOM 1518 N PHE A 97 0.319 5.831 -0.111 1.00 0.00 N ATOM 1519 CA PHE A 97 0.000 5.136 -1.352 1.00 0.00 C ATOM 1520 C PHE A 97 -0.657 6.082 -2.353 1.00 0.00 C ATOM 1521 O PHE A 97 -1.677 6.704 -2.056 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.924 3.948 -1.074 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.261 2.839 -0.308 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.619 1.975 -0.938 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.520 2.661 1.041 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.232 0.953 -0.236 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.090 1.641 1.748 1.00 0.00 C ATOM 1528 CZ PHE A 97 0.965 0.786 1.108 1.00 0.00 C ATOM 0 H PHE A 97 -0.375 6.521 0.177 1.00 0.00 H new ATOM 0 HA PHE A 97 0.932 4.770 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.792 4.296 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.292 3.555 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.829 2.101 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.205 3.326 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.918 0.287 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.118 1.513 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.440 -0.013 1.658 1.00 0.00 H new ATOM 1538 N GLN A 98 -0.064 6.186 -3.538 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.591 7.057 -4.581 1.00 0.00 C ATOM 1540 C GLN A 98 -1.378 6.257 -5.613 1.00 0.00 C ATOM 1541 O GLN A 98 -1.346 5.026 -5.615 1.00 0.00 O ATOM 1542 CB GLN A 98 0.549 7.813 -5.267 1.00 0.00 C ATOM 1543 CG GLN A 98 0.073 8.873 -6.247 1.00 0.00 C ATOM 1544 CD GLN A 98 1.091 9.977 -6.453 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.293 9.768 -6.285 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.615 11.161 -6.820 1.00 0.00 N ATOM 0 H GLN A 98 0.781 5.678 -3.799 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.265 7.775 -4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.170 8.286 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.181 7.099 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.147 8.403 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.859 9.306 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.389 11.290 -6.948 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.253 11.942 -6.974 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.086 6.963 -6.488 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.881 6.318 -7.526 1.00 0.00 C ATOM 1557 C ALA A 99 -2.862 7.130 -8.816 1.00 0.00 C ATOM 1558 O ALA A 99 -2.434 8.284 -8.828 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.312 6.118 -7.047 1.00 0.00 C ATOM 0 H ALA A 99 -2.125 7.982 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.439 5.343 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.894 5.635 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.313 5.490 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.755 7.085 -6.809 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.328 6.520 -9.902 1.00 0.00 N ATOM 1566 CA GLU A 100 -3.362 7.188 -11.198 1.00 0.00 C ATOM 1567 C GLU A 100 -4.439 8.268 -11.225 1.00 0.00 C ATOM 1568 O GLU A 100 -4.137 9.459 -11.303 1.00 0.00 O ATOM 1569 CB GLU A 100 -3.615 6.172 -12.313 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.851 6.469 -13.592 1.00 0.00 C ATOM 1571 CD GLU A 100 -3.516 5.877 -14.820 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -4.757 5.971 -14.925 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -2.796 5.321 -15.675 1.00 0.00 O ATOM 0 H GLU A 100 -3.687 5.565 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.394 7.661 -11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.340 5.179 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.682 6.147 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.763 7.548 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.839 6.074 -13.506 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.696 7.843 -11.160 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.820 8.773 -11.176 1.00 0.00 C ATOM 1582 C ASP A 101 -7.693 8.593 -9.938 1.00 0.00 C ATOM 1583 O ASP A 101 -7.749 7.508 -9.359 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.657 8.572 -12.440 1.00 0.00 C ATOM 1585 CG ASP A 101 -8.388 9.834 -12.857 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -7.716 10.792 -13.292 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -9.632 9.863 -12.748 1.00 0.00 O ATOM 0 H ASP A 101 -5.963 6.861 -11.096 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.421 9.787 -11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.009 8.245 -13.253 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.381 7.775 -12.270 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.371 9.663 -9.538 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.240 9.624 -8.368 1.00 0.00 C ATOM 1594 C ARG A 102 -9.944 8.274 -8.259 1.00 0.00 C ATOM 1595 O ARG A 102 -9.888 7.616 -7.221 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.275 10.748 -8.436 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.087 10.907 -7.161 1.00 0.00 C ATOM 1598 CD ARG A 102 -12.016 12.108 -7.238 1.00 0.00 C ATOM 1599 NE ARG A 102 -12.374 12.609 -5.914 1.00 0.00 N ATOM 1600 CZ ARG A 102 -13.240 13.596 -5.711 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -13.833 14.184 -6.741 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -13.514 13.996 -4.476 1.00 0.00 N ATOM 0 H ARG A 102 -8.335 10.568 -10.007 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.621 9.764 -7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.765 11.687 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.954 10.556 -9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.672 10.004 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.414 11.020 -6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.535 12.903 -7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.922 11.832 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.935 12.178 -5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.625 13.879 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.497 14.941 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.060 13.546 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.179 14.754 -4.321 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.607 7.870 -9.337 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.322 6.600 -9.364 1.00 0.00 C ATOM 1618 C ASP A 103 -10.420 5.458 -8.905 1.00 0.00 C ATOM 1619 O ASP A 103 -10.795 4.666 -8.041 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.849 6.316 -10.771 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.943 5.266 -10.779 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.970 5.474 -10.098 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -12.773 4.238 -11.466 1.00 0.00 O ATOM 0 H ASP A 103 -10.664 8.404 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.165 6.672 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.232 7.239 -11.205 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.026 5.984 -11.404 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.229 5.381 -9.490 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.273 4.337 -9.142 1.00 0.00 C ATOM 1630 C ASP A 104 -8.006 4.323 -7.640 1.00 0.00 C ATOM 1631 O ASP A 104 -7.951 3.262 -7.019 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.963 4.541 -9.904 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.247 3.235 -10.185 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -6.671 2.513 -11.112 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -5.262 2.933 -9.478 1.00 0.00 O ATOM 0 H ASP A 104 -8.903 6.029 -10.207 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.703 3.376 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.169 5.049 -10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.308 5.194 -9.327 1.00 0.00 H new ATOM 1640 N MET A 105 -7.838 5.509 -7.063 1.00 0.00 N ATOM 1641 CA MET A 105 -7.577 5.633 -5.634 1.00 0.00 C ATOM 1642 C MET A 105 -8.725 5.048 -4.818 1.00 0.00 C ATOM 1643 O MET A 105 -8.529 4.134 -4.017 1.00 0.00 O ATOM 1644 CB MET A 105 -7.364 7.101 -5.258 1.00 0.00 C ATOM 1645 CG MET A 105 -6.922 7.301 -3.818 1.00 0.00 C ATOM 1646 SD MET A 105 -6.635 9.035 -3.414 1.00 0.00 S ATOM 1647 CE MET A 105 -8.290 9.700 -3.582 1.00 0.00 C ATOM 0 H MET A 105 -7.878 6.397 -7.563 1.00 0.00 H new ATOM 0 HA MET A 105 -6.671 5.072 -5.406 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.616 7.533 -5.923 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.292 7.648 -5.424 1.00 0.00 H new ATOM 0 HG2 MET A 105 -7.682 6.897 -3.149 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.008 6.734 -3.641 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.341 10.676 -3.100 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.535 9.804 -4.639 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.003 9.025 -3.109 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.924 5.581 -5.027 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.105 5.112 -4.310 1.00 0.00 C ATOM 1659 C LEU A 106 -11.210 3.591 -4.370 1.00 0.00 C ATOM 1660 O LEU A 106 -11.514 2.940 -3.371 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.368 5.745 -4.898 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.753 7.116 -4.341 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.162 7.003 -2.881 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.602 8.098 -4.501 1.00 0.00 C ATOM 0 H LEU A 106 -10.104 6.338 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.008 5.411 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.236 5.837 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.202 5.062 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.606 7.491 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.433 7.988 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.017 6.333 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.330 6.606 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.893 9.069 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.731 7.728 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.356 8.202 -5.558 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.954 3.031 -5.548 1.00 0.00 N ATOM 1677 CA ALA A 107 -11.015 1.587 -5.737 1.00 0.00 C ATOM 1678 C ALA A 107 -10.144 0.863 -4.717 1.00 0.00 C ATOM 1679 O ALA A 107 -10.588 -0.085 -4.069 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.591 1.222 -7.151 1.00 0.00 C ATOM 0 H ALA A 107 -10.702 3.556 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.046 1.268 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.641 0.141 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.258 1.703 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.569 1.560 -7.323 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.902 1.314 -4.580 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.968 0.707 -3.639 1.00 0.00 C ATOM 1688 C TRP A 108 -8.483 0.825 -2.209 1.00 0.00 C ATOM 1689 O TRP A 108 -8.652 -0.179 -1.516 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.593 1.368 -3.755 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.703 0.713 -4.767 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.354 1.205 -5.993 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.050 -0.555 -4.642 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.524 0.319 -6.636 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.322 -0.768 -5.828 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -5.009 -1.530 -3.642 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.563 -1.917 -6.040 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.256 -2.670 -3.853 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.541 -2.855 -5.044 1.00 0.00 C ATOM 0 H TRP A 108 -8.519 2.098 -5.109 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.877 -0.351 -3.887 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.723 2.417 -4.021 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.103 1.345 -2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.682 2.151 -6.397 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.123 0.450 -7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.556 -1.395 -2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.012 -2.062 -6.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.218 -3.431 -3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.961 -3.756 -5.178 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.730 2.055 -1.773 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.227 2.303 -0.425 1.00 0.00 C ATOM 1712 C ILE A 109 -10.326 1.313 -0.054 1.00 0.00 C ATOM 1713 O ILE A 109 -10.245 0.632 0.969 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.772 3.736 -0.280 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.671 4.756 -0.578 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.334 3.949 1.118 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.173 6.180 -0.659 1.00 0.00 C ATOM 0 H ILE A 109 -8.594 2.896 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.382 2.175 0.251 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.578 3.878 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.908 4.692 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.190 4.495 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.716 4.966 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.143 3.241 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.546 3.792 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.339 6.848 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.915 6.260 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.628 6.460 0.291 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.353 1.236 -0.894 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.468 0.327 -0.658 1.00 0.00 C ATOM 1731 C LYS A 110 -11.984 -1.116 -0.564 1.00 0.00 C ATOM 1732 O LYS A 110 -12.125 -1.763 0.475 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.504 0.457 -1.777 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.557 -0.638 -1.761 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.527 -0.496 -2.922 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.641 0.488 -2.601 1.00 0.00 C ATOM 1737 NZ LYS A 110 -17.573 0.664 -3.749 1.00 0.00 N ATOM 0 H LYS A 110 -11.436 1.793 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.931 0.598 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.997 1.425 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.991 0.443 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.071 -1.612 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -15.106 -0.602 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.988 -0.161 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.957 -1.469 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.197 0.136 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.208 1.452 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.318 1.342 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.047 1.024 -4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.006 -0.251 -3.988 1.00 0.00 H new ATOM 1751 N THR A 111 -11.411 -1.616 -1.654 1.00 0.00 N ATOM 1752 CA THR A 111 -10.905 -2.982 -1.695 1.00 0.00 C ATOM 1753 C THR A 111 -10.147 -3.325 -0.418 1.00 0.00 C ATOM 1754 O THR A 111 -10.511 -4.257 0.300 1.00 0.00 O ATOM 1755 CB THR A 111 -9.977 -3.202 -2.904 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.682 -2.925 -4.119 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.452 -4.629 -2.930 1.00 0.00 C ATOM 0 H THR A 111 -11.286 -1.094 -2.521 1.00 0.00 H new ATOM 0 HA THR A 111 -11.771 -3.637 -1.788 1.00 0.00 H new ATOM 0 HB THR A 111 -9.130 -2.522 -2.813 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.739 -1.956 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.799 -4.761 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.891 -4.827 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.289 -5.323 -2.999 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.092 -2.567 -0.139 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.284 -2.791 1.053 1.00 0.00 C ATOM 1767 C ILE A 112 -9.127 -2.678 2.318 1.00 0.00 C ATOM 1768 O ILE A 112 -9.299 -3.652 3.050 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.115 -1.791 1.137 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.305 -1.809 -0.161 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.226 -2.115 2.328 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.594 -0.505 -0.447 1.00 0.00 C ATOM 0 H ILE A 112 -8.777 -1.792 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.882 -3.801 0.976 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.522 -0.789 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.569 -2.611 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.971 -2.040 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.405 -1.400 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.811 -2.055 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.824 -3.122 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.040 -0.590 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.326 0.298 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.903 -0.282 0.365 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.652 -1.482 2.567 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.480 -1.243 3.744 1.00 0.00 C ATOM 1786 C GLN A 113 -11.429 -2.411 3.989 1.00 0.00 C ATOM 1787 O GLN A 113 -11.658 -2.807 5.132 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.277 0.052 3.577 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.455 1.308 3.817 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.317 2.537 4.031 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.406 2.651 3.468 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -10.832 3.465 4.848 1.00 0.00 N ATOM 0 H GLN A 113 -9.519 -0.665 1.971 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.822 -1.148 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.692 0.086 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.120 0.042 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.818 1.160 4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.796 1.475 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.925 3.329 5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.367 4.314 5.030 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.979 -2.957 2.909 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.904 -4.079 3.009 1.00 0.00 C ATOM 1803 C GLU A 114 -12.206 -5.312 3.575 1.00 0.00 C ATOM 1804 O GLU A 114 -12.727 -5.979 4.468 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.499 -4.402 1.636 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.543 -3.398 1.175 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.913 -3.667 1.766 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -16.344 -4.839 1.753 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.554 -2.707 2.242 1.00 0.00 O ATOM 0 H GLU A 114 -11.800 -2.641 1.956 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.708 -3.794 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.695 -4.441 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.950 -5.394 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.223 -2.394 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.610 -3.422 0.087 1.00 0.00 H new ATOM 1816 N SER A 115 -11.023 -5.610 3.047 1.00 0.00 N ATOM 1817 CA SER A 115 -10.254 -6.764 3.495 1.00 0.00 C ATOM 1818 C SER A 115 -9.831 -6.603 4.952 1.00 0.00 C ATOM 1819 O SER A 115 -9.984 -7.520 5.759 1.00 0.00 O ATOM 1820 CB SER A 115 -9.019 -6.956 2.612 1.00 0.00 C ATOM 1821 OG SER A 115 -9.384 -7.121 1.253 1.00 0.00 O ATOM 0 H SER A 115 -10.576 -5.067 2.308 1.00 0.00 H new ATOM 0 HA SER A 115 -10.890 -7.646 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.359 -6.094 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.459 -7.828 2.950 1.00 0.00 H new ATOM 0 HG SER A 115 -9.739 -6.276 0.905 1.00 0.00 H new ATOM 1827 N SER A 116 -9.299 -5.431 5.281 1.00 0.00 N ATOM 1828 CA SER A 116 -8.850 -5.149 6.640 1.00 0.00 C ATOM 1829 C SER A 116 -10.029 -5.127 7.608 1.00 0.00 C ATOM 1830 O SER A 116 -9.903 -5.523 8.766 1.00 0.00 O ATOM 1831 CB SER A 116 -8.111 -3.810 6.688 1.00 0.00 C ATOM 1832 OG SER A 116 -8.986 -2.734 6.400 1.00 0.00 O ATOM 0 H SER A 116 -9.168 -4.661 4.625 1.00 0.00 H new ATOM 0 HA SER A 116 -8.168 -5.943 6.943 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.670 -3.670 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.291 -3.818 5.970 1.00 0.00 H new ATOM 0 HG SER A 116 -9.755 -3.065 5.890 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.176 -4.661 7.123 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.378 -4.587 7.945 1.00 0.00 C ATOM 1840 C ASN A 117 -12.866 -5.982 8.324 1.00 0.00 C ATOM 1841 O ASN A 117 -13.158 -6.806 7.457 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.483 -3.833 7.201 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.694 -3.571 8.076 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -15.390 -4.635 8.457 1.00 0.00 O flip ATOM 1845 ND2 ASN A 117 -14.999 -2.424 8.405 1.00 0.00 N flip ATOM 0 H ASN A 117 -11.298 -4.329 6.166 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.130 -4.048 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.090 -2.884 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.787 -4.409 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -14.435 -1.636 8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.816 -2.263 8.994 1.00 0.00 H new ATOM 1852 N LEU A 118 -12.951 -6.239 9.625 1.00 0.00 N ATOM 1853 CA LEU A 118 -13.403 -7.534 10.120 1.00 0.00 C ATOM 1854 C LEU A 118 -14.755 -7.906 9.518 1.00 0.00 C ATOM 1855 O LEU A 118 -15.724 -7.158 9.637 1.00 0.00 O ATOM 1856 CB LEU A 118 -13.501 -7.513 11.647 1.00 0.00 C ATOM 1857 CG LEU A 118 -12.176 -7.398 12.402 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -12.403 -6.826 13.793 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -11.490 -8.753 12.486 1.00 0.00 C ATOM 0 H LEU A 118 -12.713 -5.568 10.355 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.673 -8.285 9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.137 -6.677 11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.004 -8.424 11.972 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.525 -6.718 11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.449 -6.751 14.316 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.850 -5.835 13.711 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.072 -7.481 14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.549 -8.651 13.027 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.136 -9.456 13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.293 -9.124 11.480 1.00 0.00 H new ATOM 1871 N ASN A 119 -14.811 -9.067 8.874 1.00 0.00 N ATOM 1872 CA ASN A 119 -16.044 -9.539 8.255 1.00 0.00 C ATOM 1873 C ASN A 119 -16.570 -10.781 8.967 1.00 0.00 C ATOM 1874 O ASN A 119 -16.035 -11.878 8.801 1.00 0.00 O ATOM 1875 CB ASN A 119 -15.811 -9.846 6.775 1.00 0.00 C ATOM 1876 CG ASN A 119 -17.092 -9.796 5.965 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -17.604 -8.719 5.658 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -17.617 -10.964 5.615 1.00 0.00 N ATOM 0 H ASN A 119 -14.017 -9.698 8.767 1.00 0.00 H new ATOM 0 HA ASN A 119 -16.790 -8.749 8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.098 -9.130 6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.362 -10.834 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -18.479 -10.993 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -17.159 -11.832 5.891 1.00 0.00 H new ATOM 1885 N SER A 120 -17.621 -10.602 9.761 1.00 0.00 N ATOM 1886 CA SER A 120 -18.217 -11.708 10.501 1.00 0.00 C ATOM 1887 C SER A 120 -19.258 -12.431 9.652 1.00 0.00 C ATOM 1888 O SER A 120 -20.258 -11.844 9.242 1.00 0.00 O ATOM 1889 CB SER A 120 -18.861 -11.197 11.792 1.00 0.00 C ATOM 1890 OG SER A 120 -20.022 -10.433 11.514 1.00 0.00 O ATOM 0 H SER A 120 -18.077 -9.702 9.908 1.00 0.00 H new ATOM 0 HA SER A 120 -17.425 -12.413 10.753 1.00 0.00 H new ATOM 0 HB2 SER A 120 -19.121 -12.041 12.431 1.00 0.00 H new ATOM 0 HB3 SER A 120 -18.145 -10.588 12.344 1.00 0.00 H new ATOM 0 HG SER A 120 -20.359 -10.663 10.623 1.00 0.00 H new ATOM 1896 N GLY A 121 -19.014 -13.712 9.392 1.00 0.00 N ATOM 1897 CA GLY A 121 -19.938 -14.496 8.594 1.00 0.00 C ATOM 1898 C GLY A 121 -19.239 -15.581 7.797 1.00 0.00 C ATOM 1899 O GLY A 121 -18.129 -15.396 7.298 1.00 0.00 O ATOM 0 H GLY A 121 -18.193 -14.221 9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -20.682 -14.952 9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -20.474 -13.836 7.912 1.00 0.00 H new ATOM 1903 N PRO A 122 -19.896 -16.743 7.670 1.00 0.00 N ATOM 1904 CA PRO A 122 -19.349 -17.885 6.931 1.00 0.00 C ATOM 1905 C PRO A 122 -19.305 -17.633 5.427 1.00 0.00 C ATOM 1906 O PRO A 122 -18.899 -18.502 4.655 1.00 0.00 O ATOM 1907 CB PRO A 122 -20.326 -19.018 7.255 1.00 0.00 C ATOM 1908 CG PRO A 122 -21.606 -18.332 7.585 1.00 0.00 C ATOM 1909 CD PRO A 122 -21.223 -17.033 8.239 1.00 0.00 C ATOM 0 HA PRO A 122 -18.318 -18.099 7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -20.445 -19.692 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -19.972 -19.619 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -22.198 -18.157 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -22.214 -18.941 8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -21.939 -16.243 8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -21.183 -17.126 9.324 1.00 0.00 H new ATOM 1917 N SER A 123 -19.724 -16.440 5.019 1.00 0.00 N ATOM 1918 CA SER A 123 -19.735 -16.076 3.607 1.00 0.00 C ATOM 1919 C SER A 123 -18.327 -15.750 3.119 1.00 0.00 C ATOM 1920 O SER A 123 -18.066 -14.650 2.630 1.00 0.00 O ATOM 1921 CB SER A 123 -20.658 -14.878 3.374 1.00 0.00 C ATOM 1922 OG SER A 123 -20.052 -13.675 3.814 1.00 0.00 O ATOM 0 H SER A 123 -20.060 -15.709 5.646 1.00 0.00 H new ATOM 0 HA SER A 123 -20.109 -16.929 3.041 1.00 0.00 H new ATOM 0 HB2 SER A 123 -20.899 -14.801 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 123 -21.598 -15.031 3.904 1.00 0.00 H new ATOM 0 HG SER A 123 -19.213 -13.535 3.328 1.00 0.00 H new ATOM 1928 N SER A 124 -17.422 -16.714 3.255 1.00 0.00 N ATOM 1929 CA SER A 124 -16.039 -16.529 2.833 1.00 0.00 C ATOM 1930 C SER A 124 -15.971 -16.069 1.379 1.00 0.00 C ATOM 1931 O SER A 124 -16.602 -16.656 0.501 1.00 0.00 O ATOM 1932 CB SER A 124 -15.252 -17.830 3.004 1.00 0.00 C ATOM 1933 OG SER A 124 -13.857 -17.583 3.036 1.00 0.00 O ATOM 0 H SER A 124 -17.622 -17.631 3.654 1.00 0.00 H new ATOM 0 HA SER A 124 -15.594 -15.758 3.462 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.558 -18.325 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 124 -15.485 -18.510 2.185 1.00 0.00 H new ATOM 0 HG SER A 124 -13.377 -18.430 3.148 1.00 0.00 H new ATOM 1939 N GLY A 125 -15.201 -15.013 1.134 1.00 0.00 N ATOM 1940 CA GLY A 125 -15.065 -14.491 -0.213 1.00 0.00 C ATOM 1941 C GLY A 125 -13.765 -13.737 -0.414 1.00 0.00 C ATOM 1942 O GLY A 125 -12.697 -14.341 -0.510 1.00 0.00 O ATOM 0 H GLY A 125 -14.669 -14.510 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -15.118 -15.314 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -15.903 -13.828 -0.429 1.00 0.00 H new TER 1946 GLY A 125