USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 828 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 109 HIS : no HE2:sc= 0.97 K(o=1,f=-5.9!) USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.0745 K(o=1,f=-2.2) USER MOD Set 2.1: A 108 HIS : no HD1:sc= 0.141 K(o=0.27,f=-2.4) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 0.129 K(o=0.27,f=-1.7) USER MOD Set 3.1: A 24 TYR OH : rot -85:sc= 1.87 USER MOD Set 3.2: A 62 CYS SG : rot 121:sc= -0.743 USER MOD Set 4.1: A 58 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 61 GLN : amide:sc=-0.00213 X(o=-0.0021,f=-0.32) USER MOD Set 5.1: A 54 ASN : amide:sc= 0.239 K(o=1.1,f=-7.8!) USER MOD Set 5.2: A 56 THR OG1 : rot -39:sc= 0.813 USER MOD Set 6.1: A 49 TYR OH : rot 70:sc= 0.643 USER MOD Set 6.2: A 106 HIS : no HE2:sc= 0.725 K(o=1.4,f=-4.2!) USER MOD Set 7.1: A 39 THR OG1 : rot 65:sc= 1.05 USER MOD Set 7.2: A 83 HIS : no HE2:sc= 1.36 K(o=2.4,f=-10!) USER MOD Set 8.1: A 22 GLN : amide:sc= -0.342 K(o=-1.1,f=-7.6!) USER MOD Set 8.2: A 88 CYS SG : rot 80:sc= -0.75 USER MOD Set 9.1: A 11 GLN : amide:sc= 1.4 K(o=2.5,f=-0.64) USER MOD Set 9.2: A 19 TYR OH : rot 85:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.187 (180deg=-0.584) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0654 (180deg=-0.165) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 166:sc= -0.01 (180deg=-0.237) USER MOD Single : A 5 GLN : amide:sc= 0.196 K(o=0.2,f=-2.8!) USER MOD Single : A 6 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 0.894 (180deg=0.892) USER MOD Single : A 9 ASN : amide:sc= -0.902 K(o=-0.9,f=-3.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 17 SER OG : rot 73:sc= 0.703 USER MOD Single : A 20 MET CE :methyl -160:sc=-0.000534 (180deg=-0.754) USER MOD Single : A 21 SER OG : rot -12:sc= 0.207 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.693 K(o=-0.69,f=-2.1!) USER MOD Single : A 34 THR OG1 : rot 53:sc= 0.987 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 150:sc= 0.903 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -160:sc= -1.94 USER MOD Single : A 55 SER OG : rot -50:sc= 0.603 USER MOD Single : A 66 THR OG1 : rot -150:sc= 0.545 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 0:sc=-0.00391 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.94 (180deg=0.887) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.38) USER MOD Single : A 98 MET CE :methyl 177:sc= 0 (180deg=-0.0237) USER MOD Single : A 107 HIS : no HE2:sc= 0.52 K(o=0.52,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.172 -2.862 0.929 1.00 0.00 N ATOM 2 CA MET A 1 0.357 -4.323 0.684 1.00 0.00 C ATOM 3 C MET A 1 -0.848 -4.931 -0.060 1.00 0.00 C ATOM 4 O MET A 1 -0.714 -5.940 -0.753 1.00 0.00 O ATOM 5 CB MET A 1 0.577 -5.059 2.004 1.00 0.00 C ATOM 6 CG MET A 1 1.938 -4.817 2.641 1.00 0.00 C ATOM 7 SD MET A 1 2.108 -5.623 4.246 1.00 0.00 S ATOM 8 CE MET A 1 1.968 -7.345 3.776 1.00 0.00 C ATOM 0 H1 MET A 1 1.063 -2.453 1.275 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.103 -2.393 0.042 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.573 -2.721 1.640 1.00 0.00 H new ATOM 0 HA MET A 1 1.238 -4.441 0.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.199 -4.757 2.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.454 -6.129 1.834 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.718 -5.181 1.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.094 -3.745 2.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.330 -7.975 4.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.924 -7.582 3.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.565 -7.528 2.882 1.00 0.00 H new ATOM 20 N SER A 2 -2.014 -4.303 0.080 1.00 0.00 N ATOM 21 CA SER A 2 -3.274 -4.828 -0.486 1.00 0.00 C ATOM 22 C SER A 2 -3.171 -5.142 -1.990 1.00 0.00 C ATOM 23 O SER A 2 -3.871 -6.025 -2.494 1.00 0.00 O ATOM 24 CB SER A 2 -4.395 -3.836 -0.242 1.00 0.00 C ATOM 25 OG SER A 2 -4.188 -2.629 -0.923 1.00 0.00 O ATOM 0 H SER A 2 -2.121 -3.422 0.583 1.00 0.00 H new ATOM 0 HA SER A 2 -3.485 -5.770 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.341 -4.274 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.478 -3.639 0.827 1.00 0.00 H new ATOM 0 HG SER A 2 -4.933 -2.019 -0.741 1.00 0.00 H new ATOM 31 N TRP A 3 -2.315 -4.414 -2.708 1.00 0.00 N ATOM 32 CA TRP A 3 -2.103 -4.671 -4.140 1.00 0.00 C ATOM 33 C TRP A 3 -1.707 -6.130 -4.423 1.00 0.00 C ATOM 34 O TRP A 3 -2.010 -6.660 -5.496 1.00 0.00 O ATOM 35 CB TRP A 3 -1.028 -3.728 -4.685 1.00 0.00 C ATOM 36 CG TRP A 3 0.336 -3.985 -4.119 1.00 0.00 C ATOM 37 CD1 TRP A 3 0.865 -3.441 -2.987 1.00 0.00 C ATOM 38 CD2 TRP A 3 1.344 -4.850 -4.658 1.00 0.00 C ATOM 39 NE1 TRP A 3 2.139 -3.911 -2.786 1.00 0.00 N ATOM 40 CE2 TRP A 3 2.455 -4.780 -3.800 1.00 0.00 C ATOM 41 CE3 TRP A 3 1.412 -5.678 -5.786 1.00 0.00 C ATOM 42 CZ2 TRP A 3 3.617 -5.500 -4.029 1.00 0.00 C ATOM 43 CZ3 TRP A 3 2.577 -6.400 -6.015 1.00 0.00 C ATOM 44 CH2 TRP A 3 3.648 -6.314 -5.162 1.00 0.00 C ATOM 0 H TRP A 3 -1.760 -3.647 -2.329 1.00 0.00 H new ATOM 0 HA TRP A 3 -3.052 -4.488 -4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.987 -3.825 -5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.315 -2.699 -4.468 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.355 -2.741 -2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.750 -3.656 -2.010 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.575 -5.754 -6.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 4.462 -5.434 -3.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 2.641 -7.041 -6.882 1.00 0.00 H new ATOM 0 HH2 TRP A 3 4.537 -6.890 -5.372 1.00 0.00 H new ATOM 55 N MET A 4 -1.052 -6.784 -3.465 1.00 0.00 N ATOM 56 CA MET A 4 -0.568 -8.154 -3.678 1.00 0.00 C ATOM 57 C MET A 4 -1.754 -9.090 -3.966 1.00 0.00 C ATOM 58 O MET A 4 -1.754 -9.836 -4.953 1.00 0.00 O ATOM 59 CB MET A 4 0.217 -8.638 -2.460 1.00 0.00 C ATOM 60 CG MET A 4 1.553 -7.939 -2.253 1.00 0.00 C ATOM 61 SD MET A 4 2.377 -8.452 -0.733 1.00 0.00 S ATOM 62 CE MET A 4 2.808 -10.142 -1.134 1.00 0.00 C ATOM 0 H MET A 4 -0.844 -6.397 -2.544 1.00 0.00 H new ATOM 0 HA MET A 4 0.101 -8.163 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.395 -8.496 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.393 -9.709 -2.559 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.203 -8.148 -3.102 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.395 -6.861 -2.230 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.531 -10.515 -0.408 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.912 -10.762 -1.106 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.244 -10.179 -2.132 1.00 0.00 H new ATOM 72 N GLN A 5 -2.756 -9.057 -3.083 1.00 0.00 N ATOM 73 CA GLN A 5 -4.009 -9.793 -3.294 1.00 0.00 C ATOM 74 C GLN A 5 -4.749 -9.288 -4.540 1.00 0.00 C ATOM 75 O GLN A 5 -5.253 -10.079 -5.330 1.00 0.00 O ATOM 76 CB GLN A 5 -4.934 -9.649 -2.069 1.00 0.00 C ATOM 77 CG GLN A 5 -4.582 -10.569 -0.910 1.00 0.00 C ATOM 78 CD GLN A 5 -5.471 -10.363 0.311 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.231 -9.404 0.391 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.401 -11.275 1.261 1.00 0.00 N ATOM 0 H GLN A 5 -2.725 -8.527 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.749 -10.842 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.900 -8.616 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.960 -9.848 -2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.662 -11.605 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.542 -10.404 -0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.759 -12.062 1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.989 -11.194 2.090 1.00 0.00 H new ATOM 89 N ASN A 6 -4.781 -7.963 -4.707 1.00 0.00 N ATOM 90 CA ASN A 6 -5.541 -7.310 -5.787 1.00 0.00 C ATOM 91 C ASN A 6 -5.183 -7.866 -7.176 1.00 0.00 C ATOM 92 O ASN A 6 -6.021 -7.896 -8.077 1.00 0.00 O ATOM 93 CB ASN A 6 -5.337 -5.806 -5.765 1.00 0.00 C ATOM 94 CG ASN A 6 -6.067 -5.111 -4.650 1.00 0.00 C ATOM 95 OD1 ASN A 6 -6.988 -5.670 -4.041 1.00 0.00 O ATOM 96 ND2 ASN A 6 -5.715 -3.870 -4.431 1.00 0.00 N ATOM 0 H ASN A 6 -4.284 -7.310 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.592 -7.532 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.271 -5.595 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.666 -5.390 -6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.208 -3.316 -3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.948 -3.456 -4.961 1.00 0.00 H new ATOM 103 N LEU A 7 -3.938 -8.299 -7.345 1.00 0.00 N ATOM 104 CA LEU A 7 -3.491 -8.875 -8.618 1.00 0.00 C ATOM 105 C LEU A 7 -3.678 -10.402 -8.632 1.00 0.00 C ATOM 106 O LEU A 7 -4.301 -10.957 -9.536 1.00 0.00 O ATOM 107 CB LEU A 7 -2.023 -8.512 -8.876 1.00 0.00 C ATOM 108 CG LEU A 7 -1.745 -7.016 -9.073 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.246 -6.774 -9.185 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.466 -6.524 -10.320 1.00 0.00 C ATOM 0 H LEU A 7 -3.219 -8.264 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.104 -8.455 -9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.424 -8.869 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.683 -9.048 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.116 -6.461 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.059 -5.709 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.246 -7.113 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.149 -7.327 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.268 -5.461 -10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.108 -7.077 -11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.539 -6.681 -10.206 1.00 0.00 H new ATOM 122 N LYS A 8 -3.150 -11.064 -7.602 1.00 0.00 N ATOM 123 CA LYS A 8 -3.109 -12.533 -7.523 1.00 0.00 C ATOM 124 C LYS A 8 -4.509 -13.184 -7.317 1.00 0.00 C ATOM 125 O LYS A 8 -4.651 -14.399 -7.455 1.00 0.00 O ATOM 126 CB LYS A 8 -2.168 -12.959 -6.396 1.00 0.00 C ATOM 127 CG LYS A 8 -2.746 -12.790 -4.997 1.00 0.00 C ATOM 128 CD LYS A 8 -1.737 -13.187 -3.929 1.00 0.00 C ATOM 129 CE LYS A 8 -2.300 -12.983 -2.531 1.00 0.00 C ATOM 130 NZ LYS A 8 -1.433 -13.596 -1.488 1.00 0.00 N ATOM 0 H LYS A 8 -2.736 -10.599 -6.794 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.742 -12.889 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.898 -14.005 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.248 -12.379 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.047 -11.753 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.644 -13.400 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.457 -14.232 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.829 -12.596 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.405 -11.916 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.298 -13.418 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.834 -13.406 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.380 -14.623 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.478 -13.188 -1.546 1.00 0.00 H new ATOM 144 N ASN A 9 -5.537 -12.390 -6.980 1.00 0.00 N ATOM 145 CA ASN A 9 -6.866 -12.943 -6.658 1.00 0.00 C ATOM 146 C ASN A 9 -7.553 -13.525 -7.901 1.00 0.00 C ATOM 147 O ASN A 9 -8.535 -14.258 -7.792 1.00 0.00 O ATOM 148 CB ASN A 9 -7.759 -11.899 -6.013 1.00 0.00 C ATOM 149 CG ASN A 9 -7.462 -11.666 -4.557 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.769 -12.459 -3.909 1.00 0.00 O ATOM 151 ND2 ASN A 9 -8.049 -10.626 -4.020 1.00 0.00 N ATOM 0 H ASN A 9 -5.478 -11.373 -6.923 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.706 -13.752 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.651 -10.958 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.799 -12.208 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.945 -10.440 -3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.611 -10.002 -4.599 1.00 0.00 H new ATOM 158 N TYR A 10 -7.036 -13.182 -9.078 1.00 0.00 N ATOM 159 CA TYR A 10 -7.598 -13.666 -10.344 1.00 0.00 C ATOM 160 C TYR A 10 -6.520 -13.830 -11.421 1.00 0.00 C ATOM 161 O TYR A 10 -5.465 -13.195 -11.370 1.00 0.00 O ATOM 162 CB TYR A 10 -8.689 -12.712 -10.837 1.00 0.00 C ATOM 163 CG TYR A 10 -8.217 -11.288 -11.029 1.00 0.00 C ATOM 164 CD1 TYR A 10 -7.626 -10.887 -12.219 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.364 -10.348 -10.020 1.00 0.00 C ATOM 166 CE1 TYR A 10 -7.193 -9.587 -12.399 1.00 0.00 C ATOM 167 CE2 TYR A 10 -7.935 -9.046 -10.189 1.00 0.00 C ATOM 168 CZ TYR A 10 -7.350 -8.669 -11.381 1.00 0.00 C ATOM 169 OH TYR A 10 -6.922 -7.373 -11.555 1.00 0.00 O ATOM 0 H TYR A 10 -6.227 -12.570 -9.185 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.032 -14.648 -10.156 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.083 -13.084 -11.783 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.513 -12.718 -10.123 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.502 -11.603 -13.018 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.822 -10.639 -9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.734 -9.291 -13.331 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.057 -8.327 -9.393 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.108 -6.856 -10.744 1.00 0.00 H new ATOM 179 N GLN A 11 -6.802 -14.680 -12.404 1.00 0.00 N ATOM 180 CA GLN A 11 -5.938 -14.821 -13.575 1.00 0.00 C ATOM 181 C GLN A 11 -6.585 -14.175 -14.811 1.00 0.00 C ATOM 182 O GLN A 11 -7.339 -14.822 -15.543 1.00 0.00 O ATOM 183 CB GLN A 11 -5.647 -16.299 -13.850 1.00 0.00 C ATOM 184 CG GLN A 11 -4.802 -16.548 -15.088 1.00 0.00 C ATOM 185 CD GLN A 11 -3.500 -15.771 -15.066 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.747 -15.821 -14.089 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.226 -15.044 -16.143 1.00 0.00 N ATOM 0 H GLN A 11 -7.624 -15.284 -12.414 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.999 -14.308 -13.366 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.138 -16.725 -12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.593 -16.830 -13.957 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.585 -17.613 -15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.372 -16.271 -15.975 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.876 -15.031 -16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.365 -14.499 -16.185 1.00 0.00 H new ATOM 196 N HIS A 12 -6.312 -12.889 -15.034 1.00 0.00 N ATOM 197 CA HIS A 12 -6.853 -12.188 -16.210 1.00 0.00 C ATOM 198 C HIS A 12 -5.796 -11.956 -17.304 1.00 0.00 C ATOM 199 O HIS A 12 -6.082 -12.136 -18.487 1.00 0.00 O ATOM 200 CB HIS A 12 -7.462 -10.846 -15.791 1.00 0.00 C ATOM 201 CG HIS A 12 -8.143 -10.120 -16.909 1.00 0.00 C ATOM 202 ND1 HIS A 12 -9.233 -10.637 -17.575 1.00 0.00 N ATOM 203 CD2 HIS A 12 -7.888 -8.918 -17.477 1.00 0.00 C ATOM 204 CE1 HIS A 12 -9.621 -9.782 -18.507 1.00 0.00 C ATOM 205 NE2 HIS A 12 -8.822 -8.732 -18.467 1.00 0.00 N ATOM 0 H HIS A 12 -5.728 -12.313 -14.427 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.623 -12.833 -16.634 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.181 -11.017 -14.990 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.675 -10.211 -15.383 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.099 -8.234 -17.203 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.450 -9.920 -19.185 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.888 -7.914 -19.073 1.00 0.00 H new ATOM 210 N LEU A 13 -4.580 -11.568 -16.927 1.00 0.00 N ATOM 211 CA LEU A 13 -3.569 -11.196 -17.923 1.00 0.00 C ATOM 212 C LEU A 13 -2.313 -12.085 -17.804 1.00 0.00 C ATOM 213 O LEU A 13 -2.088 -12.710 -16.770 1.00 0.00 O ATOM 214 CB LEU A 13 -3.195 -9.718 -17.766 1.00 0.00 C ATOM 215 CG LEU A 13 -4.354 -8.729 -17.943 1.00 0.00 C ATOM 216 CD1 LEU A 13 -3.885 -7.314 -17.633 1.00 0.00 C ATOM 217 CD2 LEU A 13 -4.889 -8.821 -19.364 1.00 0.00 C ATOM 0 H LEU A 13 -4.271 -11.502 -15.957 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.995 -11.352 -18.914 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.762 -9.572 -16.776 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.419 -9.477 -18.492 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.156 -8.982 -17.250 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.715 -6.619 -17.762 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.528 -7.266 -16.604 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.076 -7.042 -18.311 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.713 -8.118 -19.489 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.094 -8.577 -20.069 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.245 -9.834 -19.554 1.00 0.00 H new ATOM 229 N ARG A 14 -1.516 -12.157 -18.871 1.00 0.00 N ATOM 230 CA ARG A 14 -0.196 -12.802 -18.810 1.00 0.00 C ATOM 231 C ARG A 14 0.873 -11.916 -18.145 1.00 0.00 C ATOM 232 O ARG A 14 2.049 -12.282 -18.136 1.00 0.00 O ATOM 233 CB ARG A 14 0.261 -13.271 -20.183 1.00 0.00 C ATOM 234 CG ARG A 14 -0.567 -14.396 -20.784 1.00 0.00 C ATOM 235 CD ARG A 14 -0.156 -14.796 -22.154 1.00 0.00 C ATOM 236 NE ARG A 14 -1.020 -15.785 -22.778 1.00 0.00 N ATOM 237 CZ ARG A 14 -0.858 -16.263 -24.027 1.00 0.00 C ATOM 238 NH1 ARG A 14 0.107 -15.820 -24.802 1.00 0.00 N ATOM 239 NH2 ARG A 14 -1.711 -17.174 -24.463 1.00 0.00 N ATOM 0 H ARG A 14 -1.757 -11.779 -19.787 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.317 -13.679 -18.174 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.243 -12.421 -20.866 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.298 -13.600 -20.112 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.504 -15.266 -20.130 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.613 -14.089 -20.807 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.127 -13.908 -22.785 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.859 -15.192 -22.114 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.804 -16.142 -22.232 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.747 -15.103 -24.460 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.215 -16.193 -25.745 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.466 -17.496 -23.858 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.614 -17.555 -25.404 1.00 0.00 H new ATOM 253 N ASP A 15 0.481 -10.780 -17.571 1.00 0.00 N ATOM 254 CA ASP A 15 1.449 -9.899 -16.894 1.00 0.00 C ATOM 255 C ASP A 15 2.100 -10.570 -15.671 1.00 0.00 C ATOM 256 O ASP A 15 1.419 -10.933 -14.719 1.00 0.00 O ATOM 257 CB ASP A 15 0.768 -8.596 -16.467 1.00 0.00 C ATOM 258 CG ASP A 15 1.713 -7.551 -15.890 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.836 -7.890 -15.600 1.00 0.00 O ATOM 260 OD2 ASP A 15 1.360 -6.396 -15.890 1.00 0.00 O ATOM 0 H ASP A 15 -0.483 -10.446 -17.557 1.00 0.00 H new ATOM 0 HA ASP A 15 2.242 -9.686 -17.611 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.256 -8.169 -17.329 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.004 -8.826 -15.725 1.00 0.00 H new ATOM 265 N PRO A 16 3.450 -10.690 -15.658 1.00 0.00 N ATOM 266 CA PRO A 16 4.184 -11.306 -14.534 1.00 0.00 C ATOM 267 C PRO A 16 3.851 -10.653 -13.182 1.00 0.00 C ATOM 268 O PRO A 16 4.056 -11.250 -12.124 1.00 0.00 O ATOM 269 CB PRO A 16 5.656 -11.113 -14.908 1.00 0.00 C ATOM 270 CG PRO A 16 5.658 -11.069 -16.399 1.00 0.00 C ATOM 271 CD PRO A 16 4.390 -10.352 -16.778 1.00 0.00 C ATOM 0 HA PRO A 16 3.916 -12.354 -14.397 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.056 -10.193 -14.483 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.271 -11.931 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.535 -10.542 -16.776 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.683 -12.073 -16.822 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.546 -9.276 -16.861 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.008 -10.693 -17.740 1.00 0.00 H new ATOM 279 N SER A 17 3.334 -9.423 -13.229 1.00 0.00 N ATOM 280 CA SER A 17 2.950 -8.682 -12.018 1.00 0.00 C ATOM 281 C SER A 17 1.994 -9.494 -11.129 1.00 0.00 C ATOM 282 O SER A 17 2.060 -9.412 -9.904 1.00 0.00 O ATOM 283 CB SER A 17 2.315 -7.360 -12.401 1.00 0.00 C ATOM 284 OG SER A 17 3.200 -6.538 -13.113 1.00 0.00 O ATOM 0 H SER A 17 3.170 -8.914 -14.097 1.00 0.00 H new ATOM 0 HA SER A 17 3.855 -8.496 -11.440 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.427 -7.546 -13.006 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.985 -6.842 -11.500 1.00 0.00 H new ATOM 0 HG SER A 17 3.314 -6.889 -14.021 1.00 0.00 H new ATOM 290 N GLU A 18 1.110 -10.280 -11.746 1.00 0.00 N ATOM 291 CA GLU A 18 0.184 -11.139 -11.000 1.00 0.00 C ATOM 292 C GLU A 18 0.966 -12.148 -10.127 1.00 0.00 C ATOM 293 O GLU A 18 0.524 -12.539 -9.040 1.00 0.00 O ATOM 294 CB GLU A 18 -0.755 -11.874 -11.958 1.00 0.00 C ATOM 295 CG GLU A 18 -1.772 -10.979 -12.652 1.00 0.00 C ATOM 296 CD GLU A 18 -2.551 -11.739 -13.690 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.274 -12.899 -13.881 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.496 -11.195 -14.211 1.00 0.00 O ATOM 0 H GLU A 18 1.015 -10.341 -12.760 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.417 -10.510 -10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.157 -12.380 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.288 -12.647 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.457 -10.562 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.260 -10.139 -13.121 1.00 0.00 H new ATOM 305 N TYR A 19 2.160 -12.526 -10.587 1.00 0.00 N ATOM 306 CA TYR A 19 2.956 -13.569 -9.926 1.00 0.00 C ATOM 307 C TYR A 19 4.089 -12.953 -9.093 1.00 0.00 C ATOM 308 O TYR A 19 4.604 -13.572 -8.166 1.00 0.00 O ATOM 309 CB TYR A 19 3.555 -14.521 -10.961 1.00 0.00 C ATOM 310 CG TYR A 19 2.536 -15.149 -11.893 1.00 0.00 C ATOM 311 CD1 TYR A 19 1.760 -16.227 -11.488 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.370 -14.677 -13.189 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.854 -16.819 -12.348 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.463 -15.259 -14.050 1.00 0.00 C ATOM 315 CZ TYR A 19 0.709 -16.330 -13.628 1.00 0.00 C ATOM 316 OH TYR A 19 -0.187 -16.919 -14.491 1.00 0.00 O ATOM 0 H TYR A 19 2.600 -12.126 -11.416 1.00 0.00 H new ATOM 0 HA TYR A 19 2.290 -14.122 -9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.288 -13.977 -11.556 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.092 -15.314 -10.441 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.866 -16.610 -10.484 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.962 -13.840 -13.528 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.263 -17.661 -12.018 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.345 -14.875 -15.053 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.078 -16.536 -14.349 1.00 0.00 H new ATOM 326 N MET A 20 4.481 -11.731 -9.435 1.00 0.00 N ATOM 327 CA MET A 20 5.384 -10.947 -8.587 1.00 0.00 C ATOM 328 C MET A 20 4.615 -10.378 -7.381 1.00 0.00 C ATOM 329 O MET A 20 5.204 -9.979 -6.379 1.00 0.00 O ATOM 330 CB MET A 20 6.029 -9.821 -9.392 1.00 0.00 C ATOM 331 CG MET A 20 7.029 -10.291 -10.440 1.00 0.00 C ATOM 332 SD MET A 20 7.948 -8.929 -11.184 1.00 0.00 S ATOM 333 CE MET A 20 6.652 -8.113 -12.112 1.00 0.00 C ATOM 0 H MET A 20 4.191 -11.259 -10.291 1.00 0.00 H new ATOM 0 HA MET A 20 6.175 -11.600 -8.219 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.244 -9.249 -9.887 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.533 -9.142 -8.705 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.729 -10.989 -9.981 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.501 -10.837 -11.221 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.097 -7.491 -12.889 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.007 -8.862 -12.572 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.062 -7.489 -11.441 1.00 0.00 H new ATOM 343 N SER A 21 3.288 -10.341 -7.505 1.00 0.00 N ATOM 344 CA SER A 21 2.399 -10.061 -6.370 1.00 0.00 C ATOM 345 C SER A 21 2.157 -11.331 -5.540 1.00 0.00 C ATOM 346 O SER A 21 1.986 -11.260 -4.326 1.00 0.00 O ATOM 347 CB SER A 21 1.084 -9.490 -6.863 1.00 0.00 C ATOM 348 OG SER A 21 0.362 -10.416 -7.628 1.00 0.00 O ATOM 0 H SER A 21 2.799 -10.502 -8.386 1.00 0.00 H new ATOM 0 HA SER A 21 2.882 -9.324 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.482 -9.177 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.277 -8.599 -7.460 1.00 0.00 H new ATOM 0 HG SER A 21 0.936 -11.180 -7.844 1.00 0.00 H new ATOM 354 N GLN A 22 2.123 -12.488 -6.214 1.00 0.00 N ATOM 355 CA GLN A 22 2.133 -13.792 -5.527 1.00 0.00 C ATOM 356 C GLN A 22 3.342 -13.913 -4.579 1.00 0.00 C ATOM 357 O GLN A 22 3.196 -14.209 -3.390 1.00 0.00 O ATOM 358 CB GLN A 22 2.160 -14.935 -6.547 1.00 0.00 C ATOM 359 CG GLN A 22 2.233 -16.320 -5.926 1.00 0.00 C ATOM 360 CD GLN A 22 2.419 -17.410 -6.965 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.539 -17.132 -8.161 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.441 -18.659 -6.514 1.00 0.00 N ATOM 0 H GLN A 22 2.088 -12.551 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 22 1.221 -13.861 -4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.267 -14.874 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.017 -14.799 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.059 -16.354 -5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.320 -16.511 -5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.338 -18.843 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.561 -19.434 -7.166 1.00 0.00 H new ATOM 371 N VAL A 23 4.537 -13.688 -5.118 1.00 0.00 N ATOM 372 CA VAL A 23 5.765 -13.743 -4.322 1.00 0.00 C ATOM 373 C VAL A 23 6.839 -12.790 -4.875 1.00 0.00 C ATOM 374 O VAL A 23 7.076 -12.716 -6.081 1.00 0.00 O ATOM 375 CB VAL A 23 6.335 -15.174 -4.273 1.00 0.00 C ATOM 376 CG1 VAL A 23 6.720 -15.641 -5.669 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.536 -15.237 -3.342 1.00 0.00 C ATOM 0 H VAL A 23 4.684 -13.466 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 23 5.499 -13.428 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 23 5.563 -15.840 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.121 -16.653 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.839 -15.632 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.476 -14.972 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.926 -16.255 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.311 -14.560 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.233 -14.942 -2.337 1.00 0.00 H new ATOM 387 N TYR A 24 7.490 -12.067 -3.969 1.00 0.00 N ATOM 388 CA TYR A 24 8.514 -11.078 -4.339 1.00 0.00 C ATOM 389 C TYR A 24 9.940 -11.653 -4.207 1.00 0.00 C ATOM 390 O TYR A 24 10.891 -10.917 -3.939 1.00 0.00 O ATOM 391 CB TYR A 24 8.373 -9.824 -3.474 1.00 0.00 C ATOM 392 CG TYR A 24 8.468 -10.090 -1.988 1.00 0.00 C ATOM 393 CD1 TYR A 24 9.695 -10.084 -1.340 1.00 0.00 C ATOM 394 CD2 TYR A 24 7.331 -10.344 -1.238 1.00 0.00 C ATOM 395 CE1 TYR A 24 9.788 -10.326 0.017 1.00 0.00 C ATOM 396 CE2 TYR A 24 7.411 -10.587 0.120 1.00 0.00 C ATOM 397 CZ TYR A 24 8.642 -10.578 0.744 1.00 0.00 C ATOM 398 OH TYR A 24 8.726 -10.819 2.096 1.00 0.00 O ATOM 0 H TYR A 24 7.330 -12.144 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 24 8.357 -10.817 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.148 -9.111 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.414 -9.353 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.593 -9.887 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.366 -10.352 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.751 -10.318 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.515 -10.783 0.690 1.00 0.00 H new ATOM 0 HH TYR A 24 8.925 -11.766 2.248 1.00 0.00 H new ATOM 408 N GLY A 25 10.086 -12.964 -4.406 1.00 0.00 N ATOM 409 CA GLY A 25 11.370 -13.624 -4.176 1.00 0.00 C ATOM 410 C GLY A 25 12.185 -13.907 -5.440 1.00 0.00 C ATOM 411 O GLY A 25 12.235 -13.089 -6.360 1.00 0.00 O ATOM 0 H GLY A 25 9.340 -13.583 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.967 -13.003 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.190 -14.566 -3.659 1.00 0.00 H new ATOM 415 N ASP A 26 12.830 -15.076 -5.467 1.00 0.00 N ATOM 416 CA ASP A 26 13.711 -15.479 -6.571 1.00 0.00 C ATOM 417 C ASP A 26 13.008 -15.452 -7.947 1.00 0.00 C ATOM 418 O ASP A 26 11.845 -15.843 -8.074 1.00 0.00 O ATOM 419 CB ASP A 26 14.271 -16.878 -6.303 1.00 0.00 C ATOM 420 CG ASP A 26 15.390 -16.921 -5.270 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.013 -15.908 -5.056 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.507 -17.914 -4.593 1.00 0.00 O ATOM 0 H ASP A 26 12.757 -15.772 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 26 14.519 -14.749 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.459 -17.523 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.642 -17.293 -7.240 1.00 0.00 H new ATOM 427 N PRO A 27 13.730 -14.990 -8.997 1.00 0.00 N ATOM 428 CA PRO A 27 13.187 -14.859 -10.367 1.00 0.00 C ATOM 429 C PRO A 27 12.476 -16.119 -10.887 1.00 0.00 C ATOM 430 O PRO A 27 11.437 -16.022 -11.541 1.00 0.00 O ATOM 431 CB PRO A 27 14.424 -14.529 -11.208 1.00 0.00 C ATOM 432 CG PRO A 27 15.317 -13.781 -10.279 1.00 0.00 C ATOM 433 CD PRO A 27 15.132 -14.434 -8.936 1.00 0.00 C ATOM 0 HA PRO A 27 12.406 -14.100 -10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.905 -15.434 -11.579 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.163 -13.927 -12.079 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.356 -13.836 -10.603 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.050 -12.725 -10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.868 -15.221 -8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.243 -13.716 -8.123 1.00 0.00 H new ATOM 441 N LEU A 28 13.040 -17.291 -10.584 1.00 0.00 N ATOM 442 CA LEU A 28 12.522 -18.575 -11.087 1.00 0.00 C ATOM 443 C LEU A 28 11.113 -18.873 -10.540 1.00 0.00 C ATOM 444 O LEU A 28 10.313 -19.539 -11.198 1.00 0.00 O ATOM 445 CB LEU A 28 13.486 -19.712 -10.720 1.00 0.00 C ATOM 446 CG LEU A 28 14.837 -19.681 -11.444 1.00 0.00 C ATOM 447 CD1 LEU A 28 15.752 -20.764 -10.888 1.00 0.00 C ATOM 448 CD2 LEU A 28 14.619 -19.873 -12.938 1.00 0.00 C ATOM 0 H LEU A 28 13.863 -17.382 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 28 12.447 -18.503 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.667 -19.681 -9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.999 -20.663 -10.934 1.00 0.00 H new ATOM 0 HG LEU A 28 15.314 -18.715 -11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.709 -20.734 -11.409 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.912 -20.594 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.290 -21.741 -11.034 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.580 -19.851 -13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.135 -20.834 -13.115 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.985 -19.072 -13.319 1.00 0.00 H new ATOM 460 N ALA A 29 10.818 -18.351 -9.353 1.00 0.00 N ATOM 461 CA ALA A 29 9.528 -18.583 -8.696 1.00 0.00 C ATOM 462 C ALA A 29 8.339 -18.098 -9.553 1.00 0.00 C ATOM 463 O ALA A 29 7.553 -18.906 -10.051 1.00 0.00 O ATOM 464 CB ALA A 29 9.513 -17.910 -7.329 1.00 0.00 C ATOM 0 H ALA A 29 11.457 -17.760 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 29 9.410 -19.659 -8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.551 -18.087 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.310 -18.323 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.667 -16.838 -7.450 1.00 0.00 H new ATOM 470 N TYR A 30 8.229 -16.782 -9.746 1.00 0.00 N ATOM 471 CA TYR A 30 7.138 -16.217 -10.552 1.00 0.00 C ATOM 472 C TYR A 30 7.359 -16.429 -12.060 1.00 0.00 C ATOM 473 O TYR A 30 6.417 -16.361 -12.843 1.00 0.00 O ATOM 474 CB TYR A 30 6.981 -14.724 -10.254 1.00 0.00 C ATOM 475 CG TYR A 30 8.213 -13.904 -10.566 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.457 -13.445 -11.851 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.128 -13.591 -9.572 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.580 -12.695 -12.141 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.255 -12.842 -9.850 1.00 0.00 C ATOM 480 CZ TYR A 30 10.478 -12.396 -11.137 1.00 0.00 C ATOM 481 OH TYR A 30 11.599 -11.649 -11.420 1.00 0.00 O ATOM 0 H TYR A 30 8.873 -16.091 -9.361 1.00 0.00 H new ATOM 0 HA TYR A 30 6.225 -16.745 -10.276 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.142 -14.335 -10.831 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.730 -14.598 -9.201 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.757 -13.678 -12.639 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.957 -13.939 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.754 -12.345 -13.148 1.00 0.00 H new ATOM 0 HE2 TYR A 30 10.958 -12.607 -9.064 1.00 0.00 H new ATOM 0 HH TYR A 30 12.126 -11.528 -10.603 1.00 0.00 H new ATOM 491 N LEU A 31 8.605 -16.684 -12.464 1.00 0.00 N ATOM 492 CA LEU A 31 8.912 -16.998 -13.868 1.00 0.00 C ATOM 493 C LEU A 31 8.278 -18.336 -14.288 1.00 0.00 C ATOM 494 O LEU A 31 7.613 -18.428 -15.326 1.00 0.00 O ATOM 495 CB LEU A 31 10.430 -17.035 -14.083 1.00 0.00 C ATOM 496 CG LEU A 31 10.879 -17.388 -15.507 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.361 -16.348 -16.491 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.397 -17.468 -15.556 1.00 0.00 C ATOM 0 H LEU A 31 9.416 -16.680 -11.846 1.00 0.00 H new ATOM 0 HA LEU A 31 8.486 -16.213 -14.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.842 -16.061 -13.820 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.861 -17.760 -13.393 1.00 0.00 H new ATOM 0 HG LEU A 31 10.468 -18.357 -15.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.685 -16.608 -17.499 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.272 -16.324 -16.455 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.755 -15.367 -16.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.716 -17.719 -16.568 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.821 -16.506 -15.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.743 -18.237 -14.865 1.00 0.00 H new ATOM 510 N GLN A 32 8.470 -19.367 -13.465 1.00 0.00 N ATOM 511 CA GLN A 32 7.943 -20.697 -13.773 1.00 0.00 C ATOM 512 C GLN A 32 6.428 -20.760 -13.540 1.00 0.00 C ATOM 513 O GLN A 32 5.727 -21.502 -14.222 1.00 0.00 O ATOM 514 CB GLN A 32 8.642 -21.760 -12.921 1.00 0.00 C ATOM 515 CG GLN A 32 10.129 -21.902 -13.202 1.00 0.00 C ATOM 516 CD GLN A 32 10.425 -22.092 -14.677 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.723 -22.830 -15.375 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.469 -21.429 -15.161 1.00 0.00 N ATOM 0 H GLN A 32 8.983 -19.308 -12.585 1.00 0.00 H new ATOM 0 HA GLN A 32 8.139 -20.896 -14.827 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.504 -21.515 -11.868 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.158 -22.722 -13.090 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.650 -21.015 -12.841 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.522 -22.752 -12.643 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.022 -20.830 -14.548 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.718 -21.519 -16.146 1.00 0.00 H new ATOM 527 N GLU A 33 5.925 -19.969 -12.594 1.00 0.00 N ATOM 528 CA GLU A 33 4.475 -19.835 -12.395 1.00 0.00 C ATOM 529 C GLU A 33 3.822 -19.087 -13.577 1.00 0.00 C ATOM 530 O GLU A 33 2.704 -19.402 -13.983 1.00 0.00 O ATOM 531 CB GLU A 33 4.179 -19.110 -11.080 1.00 0.00 C ATOM 532 CG GLU A 33 2.787 -19.363 -10.522 1.00 0.00 C ATOM 533 CD GLU A 33 2.722 -20.675 -9.791 1.00 0.00 C ATOM 534 OE1 GLU A 33 2.925 -21.691 -10.413 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.580 -20.657 -8.591 1.00 0.00 O ATOM 0 H GLU A 33 6.492 -19.412 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 33 4.047 -20.836 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.916 -19.415 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.306 -18.038 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.511 -18.554 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.061 -19.361 -11.335 1.00 0.00 H new ATOM 542 N THR A 34 4.539 -18.113 -14.145 1.00 0.00 N ATOM 543 CA THR A 34 4.055 -17.378 -15.331 1.00 0.00 C ATOM 544 C THR A 34 3.953 -18.297 -16.557 1.00 0.00 C ATOM 545 O THR A 34 2.986 -18.233 -17.322 1.00 0.00 O ATOM 546 CB THR A 34 4.972 -16.189 -15.673 1.00 0.00 C ATOM 547 OG1 THR A 34 4.971 -15.254 -14.586 1.00 0.00 O ATOM 548 CG2 THR A 34 4.492 -15.491 -16.937 1.00 0.00 C ATOM 0 H THR A 34 5.454 -17.812 -13.809 1.00 0.00 H new ATOM 0 HA THR A 34 3.063 -17.003 -15.079 1.00 0.00 H new ATOM 0 HB THR A 34 5.982 -16.564 -15.839 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.196 -15.720 -13.754 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.152 -14.654 -17.163 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.502 -16.196 -17.768 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.477 -15.123 -16.786 1.00 0.00 H new ATOM 556 N THR A 35 4.963 -19.140 -16.746 1.00 0.00 N ATOM 557 CA THR A 35 5.060 -19.990 -17.946 1.00 0.00 C ATOM 558 C THR A 35 4.296 -21.323 -17.788 1.00 0.00 C ATOM 559 O THR A 35 3.835 -21.906 -18.776 1.00 0.00 O ATOM 560 CB THR A 35 6.530 -20.296 -18.290 1.00 0.00 C ATOM 561 OG1 THR A 35 7.148 -20.979 -17.192 1.00 0.00 O ATOM 562 CG2 THR A 35 7.291 -19.011 -18.577 1.00 0.00 C ATOM 0 H THR A 35 5.732 -19.259 -16.086 1.00 0.00 H new ATOM 0 HA THR A 35 4.600 -19.424 -18.756 1.00 0.00 H new ATOM 0 HB THR A 35 6.555 -20.926 -19.179 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.083 -21.174 -17.413 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.327 -19.248 -18.818 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.831 -18.496 -19.421 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.261 -18.366 -17.699 1.00 0.00 H new ATOM 570 N LYS A 36 4.142 -21.795 -16.552 1.00 0.00 N ATOM 571 CA LYS A 36 3.462 -23.074 -16.291 1.00 0.00 C ATOM 572 C LYS A 36 2.207 -22.920 -15.400 1.00 0.00 C ATOM 573 O LYS A 36 1.159 -23.504 -15.694 1.00 0.00 O ATOM 574 CB LYS A 36 4.437 -24.059 -15.645 1.00 0.00 C ATOM 575 CG LYS A 36 5.685 -24.343 -16.471 1.00 0.00 C ATOM 576 CD LYS A 36 5.348 -25.126 -17.732 1.00 0.00 C ATOM 577 CE LYS A 36 6.600 -25.453 -18.531 1.00 0.00 C ATOM 578 NZ LYS A 36 6.278 -26.132 -19.816 1.00 0.00 N ATOM 0 H LYS A 36 4.476 -21.317 -15.715 1.00 0.00 H new ATOM 0 HA LYS A 36 3.124 -23.455 -17.255 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.740 -23.667 -14.674 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.916 -24.999 -15.461 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.166 -23.403 -16.742 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.400 -24.906 -15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.834 -26.049 -17.463 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.661 -24.547 -18.349 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.151 -24.535 -18.734 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.253 -26.092 -17.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.158 -26.338 -20.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.775 -27.021 -19.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.676 -25.512 -20.395 1.00 0.00 H new ATOM 592 N PHE A 37 2.334 -22.156 -14.306 1.00 0.00 N ATOM 593 CA PHE A 37 1.255 -21.979 -13.304 1.00 0.00 C ATOM 594 C PHE A 37 1.162 -23.198 -12.354 1.00 0.00 C ATOM 595 O PHE A 37 0.381 -23.210 -11.395 1.00 0.00 O ATOM 596 CB PHE A 37 -0.099 -21.701 -13.997 1.00 0.00 C ATOM 597 CG PHE A 37 -1.158 -21.105 -13.095 1.00 0.00 C ATOM 598 CD1 PHE A 37 -2.032 -21.917 -12.382 1.00 0.00 C ATOM 599 CD2 PHE A 37 -1.283 -19.730 -12.968 1.00 0.00 C ATOM 600 CE1 PHE A 37 -3.000 -21.367 -11.564 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.250 -19.175 -12.151 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.110 -19.996 -11.448 1.00 0.00 C ATOM 0 H PHE A 37 3.185 -21.640 -14.084 1.00 0.00 H new ATOM 0 HA PHE A 37 1.504 -21.110 -12.694 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.069 -21.024 -14.835 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.478 -22.635 -14.413 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.954 -22.991 -12.468 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.614 -19.083 -13.516 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.671 -22.010 -11.015 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.333 -18.102 -12.063 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.867 -19.566 -10.809 1.00 0.00 H new ATOM 612 N VAL A 38 1.995 -24.208 -12.611 1.00 0.00 N ATOM 613 CA VAL A 38 1.900 -25.516 -11.944 1.00 0.00 C ATOM 614 C VAL A 38 3.297 -26.064 -11.590 1.00 0.00 C ATOM 615 O VAL A 38 4.316 -25.469 -11.940 1.00 0.00 O ATOM 616 CB VAL A 38 1.160 -26.544 -12.821 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.269 -26.090 -13.082 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.900 -26.754 -14.134 1.00 0.00 C ATOM 0 H VAL A 38 2.756 -24.146 -13.287 1.00 0.00 H new ATOM 0 HA VAL A 38 1.333 -25.361 -11.026 1.00 0.00 H new ATOM 0 HB VAL A 38 1.128 -27.494 -12.287 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.777 -26.828 -13.703 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.797 -25.988 -12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.257 -25.129 -13.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.364 -27.483 -14.741 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.961 -25.808 -14.672 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.906 -27.121 -13.930 1.00 0.00 H new ATOM 628 N THR A 39 3.344 -27.208 -10.909 1.00 0.00 N ATOM 629 CA THR A 39 4.628 -27.807 -10.509 1.00 0.00 C ATOM 630 C THR A 39 5.606 -27.968 -11.693 1.00 0.00 C ATOM 631 O THR A 39 5.391 -28.766 -12.605 1.00 0.00 O ATOM 632 CB THR A 39 4.415 -29.183 -9.852 1.00 0.00 C ATOM 633 OG1 THR A 39 3.528 -29.051 -8.734 1.00 0.00 O ATOM 634 CG2 THR A 39 5.740 -29.759 -9.378 1.00 0.00 C ATOM 0 H THR A 39 2.521 -27.738 -10.623 1.00 0.00 H new ATOM 0 HA THR A 39 5.070 -27.115 -9.792 1.00 0.00 H new ATOM 0 HB THR A 39 3.981 -29.857 -10.590 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.644 -28.768 -9.049 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.570 -30.732 -8.916 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.412 -29.874 -10.229 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.190 -29.085 -8.649 1.00 0.00 H new ATOM 642 N GLU A 40 6.672 -27.169 -11.681 1.00 0.00 N ATOM 643 CA GLU A 40 7.770 -27.295 -12.654 1.00 0.00 C ATOM 644 C GLU A 40 9.095 -27.652 -11.955 1.00 0.00 C ATOM 645 O GLU A 40 9.380 -27.158 -10.866 1.00 0.00 O ATOM 646 CB GLU A 40 7.928 -25.999 -13.452 1.00 0.00 C ATOM 647 CG GLU A 40 8.982 -26.061 -14.548 1.00 0.00 C ATOM 648 CD GLU A 40 8.584 -27.023 -15.633 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.493 -27.535 -15.576 1.00 0.00 O ATOM 650 OE2 GLU A 40 9.326 -27.160 -16.578 1.00 0.00 O ATOM 0 H GLU A 40 6.804 -26.418 -11.003 1.00 0.00 H new ATOM 0 HA GLU A 40 7.518 -28.104 -13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.968 -25.744 -13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.183 -25.192 -12.765 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.126 -25.068 -14.974 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.937 -26.366 -14.121 1.00 0.00 H new ATOM 657 N ARG A 41 9.911 -28.504 -12.583 1.00 0.00 N ATOM 658 CA ARG A 41 11.172 -28.945 -11.971 1.00 0.00 C ATOM 659 C ARG A 41 11.917 -27.762 -11.339 1.00 0.00 C ATOM 660 O ARG A 41 12.198 -27.762 -10.145 1.00 0.00 O ATOM 661 CB ARG A 41 12.055 -29.701 -12.953 1.00 0.00 C ATOM 662 CG ARG A 41 13.394 -30.154 -12.391 1.00 0.00 C ATOM 663 CD ARG A 41 14.259 -30.863 -13.368 1.00 0.00 C ATOM 664 NE ARG A 41 15.648 -30.994 -12.958 1.00 0.00 N ATOM 665 CZ ARG A 41 16.599 -31.629 -13.670 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.310 -32.224 -14.807 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.827 -31.660 -13.184 1.00 0.00 N ATOM 0 H ARG A 41 9.726 -28.900 -13.505 1.00 0.00 H new ATOM 0 HA ARG A 41 10.918 -29.647 -11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.512 -30.576 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.237 -29.065 -13.819 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.930 -29.283 -12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.214 -30.810 -11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.849 -31.858 -13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.222 -30.332 -14.319 1.00 0.00 H new ATOM 0 HE ARG A 41 15.921 -30.576 -12.069 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.354 -32.209 -15.162 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.042 -32.700 -15.334 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.034 -31.211 -12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.568 -32.133 -13.701 1.00 0.00 H new ATOM 681 N GLU A 42 12.198 -26.738 -12.141 1.00 0.00 N ATOM 682 CA GLU A 42 12.992 -25.587 -11.686 1.00 0.00 C ATOM 683 C GLU A 42 12.251 -24.802 -10.583 1.00 0.00 C ATOM 684 O GLU A 42 12.868 -24.152 -9.740 1.00 0.00 O ATOM 685 CB GLU A 42 13.319 -24.666 -12.864 1.00 0.00 C ATOM 686 CG GLU A 42 14.324 -25.241 -13.852 1.00 0.00 C ATOM 687 CD GLU A 42 14.545 -24.309 -15.010 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.894 -23.294 -15.065 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.442 -24.556 -15.782 1.00 0.00 O ATOM 0 H GLU A 42 11.890 -26.677 -13.111 1.00 0.00 H new ATOM 0 HA GLU A 42 13.924 -25.965 -11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.396 -24.435 -13.396 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.707 -23.724 -12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.271 -25.426 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.967 -26.203 -14.220 1.00 0.00 H new ATOM 696 N TYR A 43 10.923 -24.887 -10.604 1.00 0.00 N ATOM 697 CA TYR A 43 10.059 -24.206 -9.628 1.00 0.00 C ATOM 698 C TYR A 43 10.237 -24.774 -8.207 1.00 0.00 C ATOM 699 O TYR A 43 10.066 -24.055 -7.224 1.00 0.00 O ATOM 700 CB TYR A 43 8.593 -24.314 -10.054 1.00 0.00 C ATOM 701 CG TYR A 43 7.671 -23.363 -9.325 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.174 -22.260 -8.651 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.300 -23.570 -9.316 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.336 -21.388 -7.983 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.452 -22.704 -8.651 1.00 0.00 C ATOM 706 CZ TYR A 43 5.974 -21.614 -7.986 1.00 0.00 C ATOM 707 OH TYR A 43 5.134 -20.748 -7.325 1.00 0.00 O ATOM 0 H TYR A 43 10.409 -25.430 -11.298 1.00 0.00 H new ATOM 0 HA TYR A 43 10.355 -23.157 -9.605 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.521 -24.124 -11.125 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.251 -25.335 -9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.239 -22.080 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.888 -24.422 -9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.744 -20.535 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.386 -22.880 -8.652 1.00 0.00 H new ATOM 0 HH TYR A 43 4.263 -20.730 -7.774 1.00 0.00 H new ATOM 717 N TYR A 44 10.578 -26.064 -8.096 1.00 0.00 N ATOM 718 CA TYR A 44 10.813 -26.681 -6.774 1.00 0.00 C ATOM 719 C TYR A 44 12.208 -27.327 -6.634 1.00 0.00 C ATOM 720 O TYR A 44 12.528 -27.870 -5.580 1.00 0.00 O ATOM 721 CB TYR A 44 9.735 -27.730 -6.492 1.00 0.00 C ATOM 722 CG TYR A 44 9.821 -28.951 -7.381 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.670 -30.002 -7.068 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.050 -29.050 -8.530 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.752 -31.120 -7.876 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.123 -30.163 -9.345 1.00 0.00 C ATOM 727 CZ TYR A 44 9.976 -31.197 -9.015 1.00 0.00 C ATOM 728 OH TYR A 44 10.053 -32.307 -9.823 1.00 0.00 O ATOM 0 H TYR A 44 10.697 -26.696 -8.888 1.00 0.00 H new ATOM 0 HA TYR A 44 10.766 -25.873 -6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.811 -28.044 -5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.754 -27.271 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.278 -29.946 -6.177 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.381 -28.243 -8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.419 -31.929 -7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.516 -30.224 -10.236 1.00 0.00 H new ATOM 0 HH TYR A 44 9.442 -32.202 -10.582 1.00 0.00 H new ATOM 738 N GLU A 45 13.032 -27.266 -7.682 1.00 0.00 N ATOM 739 CA GLU A 45 14.382 -27.865 -7.651 1.00 0.00 C ATOM 740 C GLU A 45 15.348 -27.096 -6.725 1.00 0.00 C ATOM 741 O GLU A 45 15.832 -27.636 -5.729 1.00 0.00 O ATOM 742 CB GLU A 45 14.962 -27.928 -9.066 1.00 0.00 C ATOM 743 CG GLU A 45 16.366 -28.511 -9.144 1.00 0.00 C ATOM 744 CD GLU A 45 16.798 -28.705 -10.571 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.786 -27.751 -11.310 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.248 -29.780 -10.893 1.00 0.00 O ATOM 0 H GLU A 45 12.796 -26.811 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 45 14.276 -28.872 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.298 -28.525 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.976 -26.922 -9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.066 -27.847 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.395 -29.466 -8.620 1.00 0.00 H new ATOM 753 N ASP A 46 15.632 -25.841 -7.061 1.00 0.00 N ATOM 754 CA ASP A 46 16.486 -24.997 -6.213 1.00 0.00 C ATOM 755 C ASP A 46 15.702 -24.384 -5.040 1.00 0.00 C ATOM 756 O ASP A 46 16.269 -23.673 -4.202 1.00 0.00 O ATOM 757 CB ASP A 46 17.131 -23.887 -7.047 1.00 0.00 C ATOM 758 CG ASP A 46 18.231 -24.365 -7.985 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.692 -25.468 -7.816 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.491 -23.691 -8.954 1.00 0.00 O ATOM 0 H ASP A 46 15.289 -25.384 -7.906 1.00 0.00 H new ATOM 0 HA ASP A 46 17.264 -25.636 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.357 -23.395 -7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.545 -23.137 -6.373 1.00 0.00 H new ATOM 765 N PHE A 47 14.408 -24.671 -4.977 1.00 0.00 N ATOM 766 CA PHE A 47 13.533 -24.101 -3.948 1.00 0.00 C ATOM 767 C PHE A 47 13.238 -25.103 -2.815 1.00 0.00 C ATOM 768 O PHE A 47 13.474 -26.304 -2.945 1.00 0.00 O ATOM 769 CB PHE A 47 12.224 -23.621 -4.578 1.00 0.00 C ATOM 770 CG PHE A 47 12.385 -22.428 -5.476 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.768 -22.587 -6.801 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.157 -21.146 -5.000 1.00 0.00 C ATOM 773 CE1 PHE A 47 12.917 -21.489 -7.627 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.303 -20.049 -5.825 1.00 0.00 C ATOM 775 CZ PHE A 47 12.684 -20.221 -7.141 1.00 0.00 C ATOM 0 H PHE A 47 13.935 -25.298 -5.628 1.00 0.00 H new ATOM 0 HA PHE A 47 14.059 -23.254 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.786 -24.439 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.519 -23.374 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.951 -23.578 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.862 -21.004 -3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.217 -21.625 -8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.119 -19.056 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.799 -19.364 -7.788 1.00 0.00 H new ATOM 785 N GLY A 48 12.710 -24.597 -1.703 1.00 0.00 N ATOM 786 CA GLY A 48 12.310 -25.469 -0.600 1.00 0.00 C ATOM 787 C GLY A 48 12.304 -24.771 0.756 1.00 0.00 C ATOM 788 O GLY A 48 11.462 -25.059 1.608 1.00 0.00 O ATOM 0 H GLY A 48 12.551 -23.603 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.314 -25.863 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.987 -26.322 -0.558 1.00 0.00 H new ATOM 792 N TYR A 49 13.238 -23.847 0.960 1.00 0.00 N ATOM 793 CA TYR A 49 13.372 -23.157 2.253 1.00 0.00 C ATOM 794 C TYR A 49 13.438 -21.632 2.081 1.00 0.00 C ATOM 795 O TYR A 49 14.098 -21.129 1.177 1.00 0.00 O ATOM 796 CB TYR A 49 14.616 -23.661 2.999 1.00 0.00 C ATOM 797 CG TYR A 49 14.542 -25.131 3.382 1.00 0.00 C ATOM 798 CD1 TYR A 49 13.961 -25.526 4.584 1.00 0.00 C ATOM 799 CD2 TYR A 49 15.043 -26.123 2.541 1.00 0.00 C ATOM 800 CE1 TYR A 49 13.883 -26.859 4.936 1.00 0.00 C ATOM 801 CE2 TYR A 49 14.968 -27.459 2.890 1.00 0.00 C ATOM 802 CZ TYR A 49 14.386 -27.821 4.086 1.00 0.00 C ATOM 803 OH TYR A 49 14.307 -29.150 4.437 1.00 0.00 O ATOM 0 H TYR A 49 13.914 -23.555 0.254 1.00 0.00 H new ATOM 0 HA TYR A 49 12.483 -23.385 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.494 -23.501 2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.754 -23.065 3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.564 -24.777 5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 49 15.497 -25.844 1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.430 -27.147 5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 49 15.364 -28.215 2.228 1.00 0.00 H new ATOM 0 HH TYR A 49 13.373 -29.443 4.399 1.00 0.00 H new ATOM 813 N GLY A 50 12.756 -20.908 2.968 1.00 0.00 N ATOM 814 CA GLY A 50 12.785 -19.447 2.946 1.00 0.00 C ATOM 815 C GLY A 50 11.386 -18.844 2.978 1.00 0.00 C ATOM 816 O GLY A 50 10.410 -19.573 3.144 1.00 0.00 O ATOM 0 H GLY A 50 12.179 -21.308 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.355 -19.084 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.304 -19.109 2.049 1.00 0.00 H new ATOM 820 N GLU A 51 11.288 -17.522 2.808 1.00 0.00 N ATOM 821 CA GLU A 51 9.991 -16.817 2.833 1.00 0.00 C ATOM 822 C GLU A 51 8.905 -17.602 2.087 1.00 0.00 C ATOM 823 O GLU A 51 7.887 -17.974 2.660 1.00 0.00 O ATOM 824 CB GLU A 51 10.129 -15.418 2.228 1.00 0.00 C ATOM 825 CG GLU A 51 10.716 -14.379 3.172 1.00 0.00 C ATOM 826 CD GLU A 51 9.677 -13.854 4.121 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.488 -14.450 5.154 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.150 -12.797 3.868 1.00 0.00 O ATOM 0 H GLU A 51 12.090 -16.912 2.651 1.00 0.00 H new ATOM 0 HA GLU A 51 9.688 -16.730 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.758 -15.480 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.146 -15.079 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.537 -14.820 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.134 -13.554 2.594 1.00 0.00 H new ATOM 835 N CYS A 52 9.135 -17.841 0.804 1.00 0.00 N ATOM 836 CA CYS A 52 8.280 -18.724 0.008 1.00 0.00 C ATOM 837 C CYS A 52 9.147 -19.743 -0.743 1.00 0.00 C ATOM 838 O CYS A 52 9.167 -19.772 -1.973 1.00 0.00 O ATOM 839 CB CYS A 52 7.600 -17.761 -0.965 1.00 0.00 C ATOM 840 SG CYS A 52 6.598 -16.480 -0.175 1.00 0.00 S ATOM 0 H CYS A 52 9.912 -17.434 0.284 1.00 0.00 H new ATOM 0 HA CYS A 52 7.567 -19.300 0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.365 -17.281 -1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.966 -18.335 -1.641 1.00 0.00 H new ATOM 0 HG CYS A 52 5.752 -15.998 -1.036 1.00 0.00 H new ATOM 846 N PHE A 53 9.902 -20.548 0.015 1.00 0.00 N ATOM 847 CA PHE A 53 10.831 -21.543 -0.562 1.00 0.00 C ATOM 848 C PHE A 53 12.036 -20.882 -1.265 1.00 0.00 C ATOM 849 O PHE A 53 12.842 -21.566 -1.898 1.00 0.00 O ATOM 850 CB PHE A 53 10.101 -22.465 -1.560 1.00 0.00 C ATOM 851 CG PHE A 53 9.078 -23.404 -0.959 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.750 -23.354 0.387 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.432 -24.344 -1.761 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.808 -24.214 0.916 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.492 -25.201 -1.231 1.00 0.00 C ATOM 856 CZ PHE A 53 7.179 -25.136 0.108 1.00 0.00 C ATOM 0 H PHE A 53 9.891 -20.534 1.035 1.00 0.00 H new ATOM 0 HA PHE A 53 11.208 -22.133 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.603 -21.843 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.846 -23.059 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.237 -22.635 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.672 -24.401 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.563 -24.164 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.001 -25.924 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.442 -25.806 0.524 1.00 0.00 H new ATOM 866 N ASN A 54 12.168 -19.563 -1.132 1.00 0.00 N ATOM 867 CA ASN A 54 13.154 -18.801 -1.908 1.00 0.00 C ATOM 868 C ASN A 54 14.383 -18.402 -1.069 1.00 0.00 C ATOM 869 O ASN A 54 14.407 -18.581 0.150 1.00 0.00 O ATOM 870 CB ASN A 54 12.523 -17.566 -2.523 1.00 0.00 C ATOM 871 CG ASN A 54 12.114 -16.529 -1.514 1.00 0.00 C ATOM 872 OD1 ASN A 54 12.916 -16.098 -0.677 1.00 0.00 O ATOM 873 ND2 ASN A 54 10.852 -16.185 -1.537 1.00 0.00 N ATOM 0 H ASN A 54 11.607 -18.997 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 54 13.499 -19.461 -2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.228 -17.120 -3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.647 -17.865 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.489 -15.532 -0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.231 -16.570 -2.249 1.00 0.00 H new ATOM 880 N SER A 55 15.398 -17.846 -1.737 1.00 0.00 N ATOM 881 CA SER A 55 16.647 -17.429 -1.072 1.00 0.00 C ATOM 882 C SER A 55 16.827 -15.903 -1.143 1.00 0.00 C ATOM 883 O SER A 55 17.927 -15.400 -1.376 1.00 0.00 O ATOM 884 CB SER A 55 17.834 -18.131 -1.701 1.00 0.00 C ATOM 885 OG SER A 55 17.913 -17.900 -3.081 1.00 0.00 O ATOM 0 H SER A 55 15.384 -17.672 -2.742 1.00 0.00 H new ATOM 0 HA SER A 55 16.585 -17.713 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.752 -17.788 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.760 -19.203 -1.517 1.00 0.00 H new ATOM 0 HG SER A 55 17.041 -18.076 -3.493 1.00 0.00 H new ATOM 891 N THR A 56 15.723 -15.184 -0.962 1.00 0.00 N ATOM 892 CA THR A 56 15.725 -13.716 -0.877 1.00 0.00 C ATOM 893 C THR A 56 15.381 -13.208 0.537 1.00 0.00 C ATOM 894 O THR A 56 14.847 -13.946 1.364 1.00 0.00 O ATOM 895 CB THR A 56 14.732 -13.101 -1.880 1.00 0.00 C ATOM 896 OG1 THR A 56 13.393 -13.455 -1.509 1.00 0.00 O ATOM 897 CG2 THR A 56 15.014 -13.605 -3.286 1.00 0.00 C ATOM 0 H THR A 56 14.796 -15.599 -0.869 1.00 0.00 H new ATOM 0 HA THR A 56 16.740 -13.402 -1.120 1.00 0.00 H new ATOM 0 HB THR A 56 14.847 -12.017 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.375 -14.384 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.303 -13.160 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.027 -13.327 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.915 -14.690 -3.310 1.00 0.00 H new ATOM 905 N GLU A 57 15.690 -11.932 0.797 1.00 0.00 N ATOM 906 CA GLU A 57 15.450 -11.305 2.109 1.00 0.00 C ATOM 907 C GLU A 57 13.954 -11.084 2.423 1.00 0.00 C ATOM 908 O GLU A 57 13.201 -10.547 1.603 1.00 0.00 O ATOM 909 CB GLU A 57 16.194 -9.970 2.187 1.00 0.00 C ATOM 910 CG GLU A 57 16.101 -9.277 3.539 1.00 0.00 C ATOM 911 CD GLU A 57 16.887 -7.995 3.551 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.475 -7.672 2.546 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.808 -7.282 4.523 1.00 0.00 O ATOM 0 H GLU A 57 16.111 -11.306 0.111 1.00 0.00 H new ATOM 0 HA GLU A 57 15.827 -12.001 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.245 -10.139 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.798 -9.302 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.057 -9.068 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.474 -9.942 4.318 1.00 0.00 H new ATOM 920 N SER A 58 13.533 -11.522 3.608 1.00 0.00 N ATOM 921 CA SER A 58 12.170 -11.274 4.098 1.00 0.00 C ATOM 922 C SER A 58 11.853 -9.766 4.126 1.00 0.00 C ATOM 923 O SER A 58 12.622 -8.974 4.677 1.00 0.00 O ATOM 924 CB SER A 58 11.997 -11.878 5.478 1.00 0.00 C ATOM 925 OG SER A 58 10.734 -11.602 6.019 1.00 0.00 O ATOM 0 H SER A 58 14.117 -12.054 4.253 1.00 0.00 H new ATOM 0 HA SER A 58 11.469 -11.749 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.139 -12.957 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.769 -11.490 6.143 1.00 0.00 H new ATOM 0 HG SER A 58 10.601 -12.137 6.829 1.00 0.00 H new ATOM 931 N GLU A 59 10.712 -9.372 3.552 1.00 0.00 N ATOM 932 CA GLU A 59 10.258 -7.972 3.642 1.00 0.00 C ATOM 933 C GLU A 59 8.931 -7.808 4.413 1.00 0.00 C ATOM 934 O GLU A 59 8.762 -6.846 5.172 1.00 0.00 O ATOM 935 CB GLU A 59 10.112 -7.383 2.237 1.00 0.00 C ATOM 936 CG GLU A 59 11.417 -7.272 1.463 1.00 0.00 C ATOM 937 CD GLU A 59 11.183 -6.772 0.065 1.00 0.00 C ATOM 938 OE1 GLU A 59 10.047 -6.568 -0.290 1.00 0.00 O ATOM 939 OE2 GLU A 59 12.143 -6.488 -0.612 1.00 0.00 O ATOM 0 H GLU A 59 10.091 -9.988 3.027 1.00 0.00 H new ATOM 0 HA GLU A 59 11.019 -7.433 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.418 -8.001 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.665 -6.392 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.095 -6.596 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.904 -8.246 1.426 1.00 0.00 H new ATOM 946 N VAL A 60 8.001 -8.749 4.245 1.00 0.00 N ATOM 947 CA VAL A 60 6.707 -8.692 4.949 1.00 0.00 C ATOM 948 C VAL A 60 6.371 -10.018 5.677 1.00 0.00 C ATOM 949 O VAL A 60 5.214 -10.294 6.009 1.00 0.00 O ATOM 950 CB VAL A 60 5.562 -8.352 3.976 1.00 0.00 C ATOM 951 CG1 VAL A 60 5.731 -6.945 3.425 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.511 -9.365 2.841 1.00 0.00 C ATOM 0 H VAL A 60 8.113 -9.557 3.633 1.00 0.00 H new ATOM 0 HA VAL A 60 6.803 -7.904 5.696 1.00 0.00 H new ATOM 0 HB VAL A 60 4.620 -8.397 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.913 -6.722 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.721 -6.229 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.680 -6.874 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.697 -9.111 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.455 -9.349 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.344 -10.362 3.250 1.00 0.00 H new ATOM 962 N GLN A 61 7.411 -10.822 5.932 1.00 0.00 N ATOM 963 CA GLN A 61 7.317 -12.080 6.709 1.00 0.00 C ATOM 964 C GLN A 61 6.358 -13.120 6.092 1.00 0.00 C ATOM 965 O GLN A 61 5.430 -13.592 6.755 1.00 0.00 O ATOM 966 CB GLN A 61 6.868 -11.774 8.140 1.00 0.00 C ATOM 967 CG GLN A 61 7.869 -10.965 8.947 1.00 0.00 C ATOM 968 CD GLN A 61 9.094 -11.775 9.327 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.987 -12.932 9.744 1.00 0.00 O ATOM 970 NE2 GLN A 61 10.269 -11.170 9.189 1.00 0.00 N ATOM 0 H GLN A 61 8.356 -10.621 5.604 1.00 0.00 H new ATOM 0 HA GLN A 61 8.314 -12.520 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.924 -11.231 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.676 -12.714 8.657 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.178 -10.094 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.387 -10.594 9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.312 -10.212 8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.128 -11.663 9.431 1.00 0.00 H new ATOM 979 N CYS A 62 6.607 -13.515 4.843 1.00 0.00 N ATOM 980 CA CYS A 62 5.798 -14.559 4.195 1.00 0.00 C ATOM 981 C CYS A 62 6.091 -15.941 4.791 1.00 0.00 C ATOM 982 O CYS A 62 5.296 -16.869 4.640 1.00 0.00 O ATOM 983 CB CYS A 62 6.262 -14.494 2.740 1.00 0.00 C ATOM 984 SG CYS A 62 5.812 -12.968 1.878 1.00 0.00 S ATOM 0 H CYS A 62 7.354 -13.135 4.261 1.00 0.00 H new ATOM 0 HA CYS A 62 4.726 -14.406 4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.346 -14.606 2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.840 -15.341 2.199 1.00 0.00 H new ATOM 0 HG CYS A 62 6.888 -12.378 1.450 1.00 0.00 H new ATOM 990 N GLU A 63 7.224 -16.070 5.493 1.00 0.00 N ATOM 991 CA GLU A 63 7.572 -17.334 6.166 1.00 0.00 C ATOM 992 C GLU A 63 6.345 -17.963 6.862 1.00 0.00 C ATOM 993 O GLU A 63 6.157 -19.181 6.849 1.00 0.00 O ATOM 994 CB GLU A 63 8.693 -17.103 7.182 1.00 0.00 C ATOM 995 CG GLU A 63 9.157 -18.361 7.903 1.00 0.00 C ATOM 996 CD GLU A 63 10.307 -18.069 8.825 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.699 -16.930 8.914 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.724 -18.963 9.524 1.00 0.00 O ATOM 0 H GLU A 63 7.911 -15.325 5.611 1.00 0.00 H new ATOM 0 HA GLU A 63 7.918 -18.032 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.545 -16.657 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.352 -16.379 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.329 -18.782 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.456 -19.112 7.172 1.00 0.00 H new ATOM 1005 N LEU A 64 5.527 -17.121 7.480 1.00 0.00 N ATOM 1006 CA LEU A 64 4.317 -17.556 8.179 1.00 0.00 C ATOM 1007 C LEU A 64 3.086 -16.981 7.462 1.00 0.00 C ATOM 1008 O LEU A 64 2.416 -17.679 6.702 1.00 0.00 O ATOM 1009 CB LEU A 64 4.354 -17.117 9.649 1.00 0.00 C ATOM 1010 CG LEU A 64 5.498 -17.710 10.479 1.00 0.00 C ATOM 1011 CD1 LEU A 64 5.496 -17.105 11.877 1.00 0.00 C ATOM 1012 CD2 LEU A 64 5.349 -19.222 10.545 1.00 0.00 C ATOM 0 H LEU A 64 5.681 -16.113 7.513 1.00 0.00 H new ATOM 0 HA LEU A 64 4.261 -18.644 8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.426 -16.030 9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.408 -17.390 10.117 1.00 0.00 H new ATOM 0 HG LEU A 64 6.451 -17.473 10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.312 -17.532 12.460 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.627 -16.025 11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.547 -17.324 12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.163 -19.642 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.396 -19.474 11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.381 -19.635 9.537 1.00 0.00 H new ATOM 1024 N ILE A 65 2.813 -15.696 7.717 1.00 0.00 N ATOM 1025 CA ILE A 65 1.636 -14.999 7.179 1.00 0.00 C ATOM 1026 C ILE A 65 1.904 -13.484 7.063 1.00 0.00 C ATOM 1027 O ILE A 65 2.542 -12.880 7.929 1.00 0.00 O ATOM 1028 CB ILE A 65 0.392 -15.230 8.055 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.856 -14.665 7.370 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.581 -14.600 9.426 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.155 -15.157 7.967 1.00 0.00 C ATOM 0 H ILE A 65 3.404 -15.107 8.304 1.00 0.00 H new ATOM 0 HA ILE A 65 1.445 -15.411 6.188 1.00 0.00 H new ATOM 0 HB ILE A 65 0.256 -16.303 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.830 -13.577 7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.830 -14.929 6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.308 -14.773 10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.446 -15.047 9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.741 -13.528 9.315 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.993 -14.714 7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.205 -16.243 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.205 -14.870 9.017 1.00 0.00 H new ATOM 1043 N THR A 66 1.417 -12.870 5.984 1.00 0.00 N ATOM 1044 CA THR A 66 1.673 -11.442 5.712 1.00 0.00 C ATOM 1045 C THR A 66 0.433 -10.573 6.012 1.00 0.00 C ATOM 1046 O THR A 66 0.535 -9.362 6.214 1.00 0.00 O ATOM 1047 CB THR A 66 2.100 -11.217 4.250 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.018 -11.562 3.375 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.313 -12.069 3.911 1.00 0.00 C ATOM 0 H THR A 66 0.842 -13.333 5.280 1.00 0.00 H new ATOM 0 HA THR A 66 2.485 -11.142 6.375 1.00 0.00 H new ATOM 0 HB THR A 66 2.360 -10.166 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.377 -11.881 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.600 -11.897 2.874 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.141 -11.800 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.068 -13.122 4.049 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.739 -11.202 6.053 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.999 -10.475 5.919 1.00 0.00 C ATOM 1059 C GLY A 67 -2.569 -10.467 4.499 1.00 0.00 C ATOM 1060 O GLY A 67 -3.774 -10.283 4.309 1.00 0.00 O ATOM 0 H GLY A 67 -0.843 -12.209 6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.734 -10.917 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.848 -9.446 6.244 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.703 -10.679 3.507 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.136 -10.924 2.125 1.00 0.00 C ATOM 1066 C GLU A 68 -2.359 -12.415 1.807 1.00 0.00 C ATOM 1067 O GLU A 68 -2.966 -12.751 0.792 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.113 -10.338 1.150 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.943 -8.829 1.250 1.00 0.00 C ATOM 1070 CD GLU A 68 -2.190 -8.109 0.819 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.511 -8.159 -0.345 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.883 -7.601 1.669 1.00 0.00 O ATOM 0 H GLU A 68 -0.691 -10.686 3.633 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.101 -10.431 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.148 -10.813 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.412 -10.591 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.699 -8.556 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.105 -8.513 0.628 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.855 -13.299 2.666 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.059 -14.750 2.495 1.00 0.00 C ATOM 1081 C PHE A 69 -3.392 -15.237 3.098 1.00 0.00 C ATOM 1082 O PHE A 69 -3.629 -16.442 3.209 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.895 -15.519 3.123 1.00 0.00 C ATOM 1084 CG PHE A 69 0.397 -15.386 2.368 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.398 -15.066 1.019 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.613 -15.582 3.006 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.587 -14.943 0.323 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.802 -15.460 2.313 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.788 -15.140 0.971 1.00 0.00 C ATOM 0 H PHE A 69 -1.304 -13.045 3.486 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.099 -14.943 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.747 -15.166 4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.161 -16.574 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.540 -14.911 0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.631 -15.833 4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.575 -14.693 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.742 -15.615 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.717 -15.044 0.429 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.251 -14.295 3.489 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.522 -14.612 4.152 1.00 0.00 C ATOM 1101 C ASP A 70 -6.475 -15.381 3.201 1.00 0.00 C ATOM 1102 O ASP A 70 -6.927 -14.837 2.192 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.192 -13.329 4.653 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.495 -13.554 5.408 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.970 -14.665 5.418 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.921 -12.658 6.097 1.00 0.00 O ATOM 0 H ASP A 70 -4.090 -13.296 3.358 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.307 -15.256 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.496 -12.800 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.388 -12.679 3.800 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.798 -16.657 3.518 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.750 -17.479 2.726 1.00 0.00 C ATOM 1113 C PRO A 71 -9.148 -16.850 2.498 1.00 0.00 C ATOM 1114 O PRO A 71 -9.829 -17.198 1.531 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.853 -18.771 3.542 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.566 -18.840 4.292 1.00 0.00 C ATOM 1117 CD PRO A 71 -6.244 -17.416 4.663 1.00 0.00 C ATOM 0 HA PRO A 71 -7.385 -17.607 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.707 -18.746 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.984 -19.639 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.661 -19.466 5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.777 -19.275 3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.709 -17.127 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.171 -17.258 4.775 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.582 -15.941 3.371 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.903 -15.306 3.223 1.00 0.00 C ATOM 1127 C LYS A 72 -10.964 -14.444 1.944 1.00 0.00 C ATOM 1128 O LYS A 72 -11.987 -14.404 1.259 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.228 -14.453 4.451 1.00 0.00 C ATOM 1130 CG LYS A 72 -12.589 -13.773 4.402 1.00 0.00 C ATOM 1131 CD LYS A 72 -12.868 -13.000 5.682 1.00 0.00 C ATOM 1132 CE LYS A 72 -14.210 -12.286 5.618 1.00 0.00 C ATOM 1133 NZ LYS A 72 -14.488 -11.509 6.856 1.00 0.00 N ATOM 0 H LYS A 72 -9.049 -15.626 4.182 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.648 -16.097 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.182 -15.084 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.458 -13.690 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.628 -13.095 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.367 -14.522 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.858 -13.683 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.074 -12.272 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.223 -11.616 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.003 -13.018 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.412 -11.038 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.501 -12.152 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.746 -10.793 6.990 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.870 -13.748 1.636 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.862 -12.754 0.550 1.00 0.00 C ATOM 1149 C LEU A 73 -9.304 -13.340 -0.759 1.00 0.00 C ATOM 1150 O LEU A 73 -9.591 -12.829 -1.843 1.00 0.00 O ATOM 1151 CB LEU A 73 -9.047 -11.524 0.970 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.560 -10.798 2.220 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.633 -9.641 2.568 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.976 -10.299 1.974 1.00 0.00 C ATOM 0 H LEU A 73 -8.977 -13.850 2.119 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.894 -12.459 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.017 -11.833 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.031 -10.818 0.140 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.574 -11.490 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.005 -9.131 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.631 -10.023 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.599 -8.939 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.340 -9.783 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.978 -9.611 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.627 -11.145 1.754 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.510 -14.402 -0.660 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.972 -15.079 -1.847 1.00 0.00 C ATOM 1168 C LEU A 74 -8.818 -16.323 -2.187 1.00 0.00 C ATOM 1169 O LEU A 74 -8.820 -17.302 -1.437 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.506 -15.467 -1.620 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.894 -16.367 -2.702 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.863 -15.633 -4.035 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.491 -16.785 -2.284 1.00 0.00 C ATOM 0 H LEU A 74 -8.222 -14.816 0.227 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.019 -14.392 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.912 -14.556 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.426 -15.975 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.506 -17.262 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.427 -16.280 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.878 -15.364 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.261 -14.729 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.057 -17.424 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.870 -15.898 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.540 -17.332 -1.343 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.551 -16.298 -3.322 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.247 -17.487 -3.852 1.00 0.00 C ATOM 1187 C PRO A 75 -9.289 -18.557 -4.401 1.00 0.00 C ATOM 1188 O PRO A 75 -8.249 -18.246 -4.981 1.00 0.00 O ATOM 1189 CB PRO A 75 -11.110 -16.907 -4.979 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.342 -15.725 -5.465 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.691 -15.129 -4.243 1.00 0.00 C ATOM 0 HA PRO A 75 -10.811 -18.004 -3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.265 -17.635 -5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.096 -16.618 -4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.595 -16.020 -6.202 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.000 -15.003 -5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.724 -14.685 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.304 -14.342 -3.804 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.642 -19.830 -4.221 1.00 0.00 N ATOM 1200 CA TYR A 76 -8.729 -20.923 -4.564 1.00 0.00 C ATOM 1201 C TYR A 76 -9.290 -21.842 -5.662 1.00 0.00 C ATOM 1202 O TYR A 76 -10.325 -22.489 -5.495 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.405 -21.745 -3.315 1.00 0.00 C ATOM 1204 CG TYR A 76 -7.624 -20.985 -2.265 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.253 -20.819 -2.382 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.261 -20.437 -1.162 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -5.535 -20.126 -1.426 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -7.554 -19.742 -0.201 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.189 -19.588 -0.337 1.00 0.00 C ATOM 1210 OH TYR A 76 -5.478 -18.898 0.618 1.00 0.00 O ATOM 0 H TYR A 76 -10.542 -20.129 -3.845 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.820 -20.468 -4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.337 -22.100 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.836 -22.626 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.738 -21.238 -3.234 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.329 -20.556 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.467 -20.006 -1.531 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.066 -19.321 0.652 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.529 -18.884 0.373 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.605 -21.871 -6.801 1.00 0.00 N ATOM 1221 CA ASP A 77 -8.802 -22.921 -7.807 1.00 0.00 C ATOM 1222 C ASP A 77 -8.005 -24.170 -7.392 1.00 0.00 C ATOM 1223 O ASP A 77 -7.221 -24.110 -6.451 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.369 -22.440 -9.194 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.015 -23.193 -10.350 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -9.690 -24.163 -10.098 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -8.959 -22.707 -11.454 1.00 0.00 O ATOM 0 H ASP A 77 -7.903 -21.176 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.862 -23.168 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.606 -21.380 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.286 -22.533 -9.276 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.187 -25.287 -8.093 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.421 -26.511 -7.809 1.00 0.00 C ATOM 1234 C LYS A 78 -5.899 -26.274 -7.949 1.00 0.00 C ATOM 1235 O LYS A 78 -5.116 -26.573 -7.037 1.00 0.00 O ATOM 1236 CB LYS A 78 -7.864 -27.643 -8.737 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.160 -28.971 -8.492 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.723 -30.068 -9.382 1.00 0.00 C ATOM 1239 CE LYS A 78 -6.987 -31.384 -9.173 1.00 0.00 C ATOM 1240 NZ LYS A 78 -7.513 -32.462 -10.053 1.00 0.00 N ATOM 0 H LYS A 78 -8.854 -25.376 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.623 -26.795 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.938 -27.789 -8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.690 -27.339 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.092 -28.859 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.271 -29.256 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.783 -30.204 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.645 -29.767 -10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.925 -31.241 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.079 -31.689 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.985 -33.341 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.521 -32.617 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.402 -32.183 -11.049 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.493 -25.688 -9.077 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.073 -25.438 -9.350 1.00 0.00 C ATOM 1256 C ARG A 79 -3.520 -24.311 -8.469 1.00 0.00 C ATOM 1257 O ARG A 79 -2.391 -24.394 -7.976 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.813 -25.167 -10.825 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.000 -26.368 -11.738 1.00 0.00 C ATOM 1260 CD ARG A 79 -3.958 -26.047 -13.188 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.123 -27.196 -14.064 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.244 -27.124 -15.404 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.257 -25.965 -16.022 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.374 -28.253 -16.080 1.00 0.00 N ATOM 0 H ARG A 79 -6.124 -25.378 -9.816 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.536 -26.351 -9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.479 -24.370 -11.156 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.793 -24.798 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.224 -27.101 -11.518 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.957 -26.838 -11.509 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.741 -25.321 -13.410 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.006 -25.567 -13.414 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.149 -28.121 -13.634 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.175 -25.101 -15.487 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.349 -25.929 -17.037 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.381 -29.145 -15.586 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.468 -28.232 -17.095 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.315 -23.258 -8.286 1.00 0.00 N ATOM 1279 CA LEU A 80 -3.968 -22.162 -7.369 1.00 0.00 C ATOM 1280 C LEU A 80 -3.774 -22.678 -5.932 1.00 0.00 C ATOM 1281 O LEU A 80 -2.706 -22.504 -5.337 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.054 -21.081 -7.406 1.00 0.00 C ATOM 1283 CG LEU A 80 -4.618 -19.700 -6.898 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -5.469 -18.614 -7.543 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -4.742 -19.653 -5.382 1.00 0.00 C ATOM 0 H LEU A 80 -5.209 -23.136 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.024 -21.729 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.407 -20.978 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.901 -21.419 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.577 -19.524 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.152 -17.638 -7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.348 -18.652 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.517 -18.774 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.432 -18.672 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.778 -19.834 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.105 -20.419 -4.941 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.802 -23.339 -5.399 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.757 -23.875 -4.035 1.00 0.00 C ATOM 1299 C ALA A 81 -3.450 -24.619 -3.750 1.00 0.00 C ATOM 1300 O ALA A 81 -2.725 -24.255 -2.828 1.00 0.00 O ATOM 1301 CB ALA A 81 -5.947 -24.788 -3.771 1.00 0.00 C ATOM 0 H ALA A 81 -5.678 -23.517 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.807 -23.022 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.891 -25.173 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.872 -24.225 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.931 -25.620 -4.475 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.140 -25.647 -4.552 1.00 0.00 N ATOM 1308 CA TRP A 82 -1.925 -26.441 -4.322 1.00 0.00 C ATOM 1309 C TRP A 82 -0.661 -25.572 -4.384 1.00 0.00 C ATOM 1310 O TRP A 82 0.069 -25.466 -3.407 1.00 0.00 O ATOM 1311 CB TRP A 82 -1.830 -27.574 -5.344 1.00 0.00 C ATOM 1312 CG TRP A 82 -0.495 -28.257 -5.359 1.00 0.00 C ATOM 1313 CD1 TRP A 82 0.542 -28.038 -4.502 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.055 -29.268 -6.273 1.00 0.00 C ATOM 1315 NE1 TRP A 82 1.601 -28.848 -4.825 1.00 0.00 N ATOM 1316 CE2 TRP A 82 1.259 -29.615 -5.910 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -0.647 -29.915 -7.364 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 1.990 -30.573 -6.594 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 0.087 -30.876 -8.051 1.00 0.00 C ATOM 1320 CH2 TRP A 82 1.367 -31.196 -7.675 1.00 0.00 C ATOM 0 H TRP A 82 -3.701 -25.944 -5.350 1.00 0.00 H new ATOM 0 HA TRP A 82 -1.993 -26.864 -3.320 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -2.604 -28.311 -5.130 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.036 -27.175 -6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.531 -27.330 -3.687 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.497 -28.876 -4.338 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -1.655 -29.672 -7.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.999 -30.826 -6.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.359 -31.380 -8.896 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.906 -31.949 -8.230 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.427 -24.932 -5.526 1.00 0.00 N ATOM 1332 CA HIS A 83 0.885 -24.336 -5.816 1.00 0.00 C ATOM 1333 C HIS A 83 1.073 -22.990 -5.106 1.00 0.00 C ATOM 1334 O HIS A 83 2.124 -22.735 -4.526 1.00 0.00 O ATOM 1335 CB HIS A 83 1.070 -24.156 -7.326 1.00 0.00 C ATOM 1336 CG HIS A 83 0.986 -25.435 -8.100 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.173 -25.855 -8.718 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.915 -26.385 -8.356 1.00 0.00 C ATOM 1339 CE1 HIS A 83 0.048 -27.011 -9.321 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.307 -27.353 -9.115 1.00 0.00 N ATOM 0 H HIS A 83 -1.120 -24.810 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 83 1.641 -25.023 -5.437 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.311 -23.467 -7.696 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.039 -23.692 -7.512 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.061 -25.353 -8.711 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.943 -26.382 -8.025 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.677 -27.578 -9.885 1.00 0.00 H new ATOM 1345 N PHE A 84 0.053 -22.140 -5.133 1.00 0.00 N ATOM 1346 CA PHE A 84 0.140 -20.827 -4.480 1.00 0.00 C ATOM 1347 C PHE A 84 0.263 -20.946 -2.943 1.00 0.00 C ATOM 1348 O PHE A 84 1.130 -20.317 -2.332 1.00 0.00 O ATOM 1349 CB PHE A 84 -1.067 -19.966 -4.873 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.983 -19.404 -6.281 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.796 -20.242 -7.378 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -1.094 -18.037 -6.505 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.726 -19.727 -8.658 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -1.023 -17.520 -7.786 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.839 -18.366 -8.863 1.00 0.00 C ATOM 0 H PHE A 84 -0.838 -22.328 -5.593 1.00 0.00 H new ATOM 0 HA PHE A 84 1.051 -20.340 -4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.974 -20.565 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.159 -19.141 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.705 -21.307 -7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.238 -17.370 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.583 -20.389 -9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.111 -16.455 -7.944 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.784 -17.963 -9.864 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.591 -21.758 -2.319 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.577 -21.911 -0.852 1.00 0.00 C ATOM 1367 C LYS A 85 0.703 -22.623 -0.365 1.00 0.00 C ATOM 1368 O LYS A 85 1.386 -22.141 0.537 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.814 -22.679 -0.387 1.00 0.00 C ATOM 1370 CG LYS A 85 -1.927 -22.834 1.125 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.198 -23.574 1.512 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.280 -23.785 3.017 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.455 -24.615 3.399 1.00 0.00 N ATOM 0 H LYS A 85 -1.298 -22.318 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.589 -20.912 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.704 -22.168 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.804 -23.669 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.059 -23.375 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.919 -21.851 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.067 -23.009 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.228 -24.539 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.367 -24.267 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.341 -22.818 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.474 -24.735 4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.329 -24.144 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.384 -25.547 2.944 1.00 0.00 H new ATOM 1387 N GLU A 86 1.018 -23.760 -0.976 1.00 0.00 N ATOM 1388 CA GLU A 86 2.113 -24.633 -0.518 1.00 0.00 C ATOM 1389 C GLU A 86 3.492 -23.991 -0.745 1.00 0.00 C ATOM 1390 O GLU A 86 4.430 -24.227 0.015 1.00 0.00 O ATOM 1391 CB GLU A 86 2.045 -25.987 -1.228 1.00 0.00 C ATOM 1392 CG GLU A 86 0.822 -26.821 -0.875 1.00 0.00 C ATOM 1393 CD GLU A 86 0.790 -27.152 0.591 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.724 -27.753 1.064 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.113 -26.708 1.260 1.00 0.00 O ATOM 0 H GLU A 86 0.529 -24.109 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 86 1.986 -24.779 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.057 -25.820 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.941 -26.557 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.082 -26.277 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.827 -27.742 -1.458 1.00 0.00 H new ATOM 1402 N PHE A 87 3.604 -23.173 -1.785 1.00 0.00 N ATOM 1403 CA PHE A 87 4.856 -22.473 -2.098 1.00 0.00 C ATOM 1404 C PHE A 87 5.046 -21.225 -1.218 1.00 0.00 C ATOM 1405 O PHE A 87 6.104 -21.034 -0.621 1.00 0.00 O ATOM 1406 CB PHE A 87 4.887 -22.083 -3.577 1.00 0.00 C ATOM 1407 CG PHE A 87 6.204 -21.518 -4.026 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.288 -22.352 -4.261 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.363 -20.154 -4.215 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.501 -21.833 -4.675 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.574 -19.633 -4.628 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.644 -20.474 -4.858 1.00 0.00 C ATOM 0 H PHE A 87 2.841 -22.974 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 87 5.679 -23.156 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.654 -22.961 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.104 -21.349 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.183 -23.417 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.530 -19.490 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.337 -22.493 -4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.683 -18.568 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.591 -20.068 -5.181 1.00 0.00 H new ATOM 1422 N CYS A 88 4.014 -20.381 -1.138 1.00 0.00 N ATOM 1423 CA CYS A 88 4.131 -19.071 -0.473 1.00 0.00 C ATOM 1424 C CYS A 88 3.673 -19.097 0.997 1.00 0.00 C ATOM 1425 O CYS A 88 4.354 -18.575 1.877 1.00 0.00 O ATOM 1426 CB CYS A 88 3.190 -18.198 -1.305 1.00 0.00 C ATOM 1427 SG CYS A 88 3.668 -18.026 -3.041 1.00 0.00 S ATOM 0 H CYS A 88 3.090 -20.576 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 88 5.163 -18.722 -0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.186 -18.620 -1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.141 -17.207 -0.855 1.00 0.00 H new ATOM 0 HG CYS A 88 3.296 -19.083 -3.700 1.00 0.00 H new ATOM 1433 N TYR A 89 2.520 -19.713 1.264 1.00 0.00 N ATOM 1434 CA TYR A 89 1.850 -19.583 2.574 1.00 0.00 C ATOM 1435 C TYR A 89 2.023 -20.844 3.446 1.00 0.00 C ATOM 1436 O TYR A 89 1.399 -20.983 4.500 1.00 0.00 O ATOM 1437 CB TYR A 89 0.357 -19.268 2.358 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.450 -19.138 3.642 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.023 -18.375 4.705 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.683 -19.771 3.790 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.702 -18.249 5.874 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -2.413 -19.646 4.958 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.918 -18.884 5.996 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.645 -18.756 7.162 1.00 0.00 O ATOM 0 H TYR A 89 2.026 -20.307 0.598 1.00 0.00 H new ATOM 0 HA TYR A 89 2.322 -18.763 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.272 -18.339 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.083 -20.055 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.974 -17.872 4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.074 -20.368 2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.317 -17.655 6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.367 -20.143 5.057 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.479 -19.265 7.085 1.00 0.00 H new ATOM 1454 N LYS A 90 2.888 -21.758 3.016 1.00 0.00 N ATOM 1455 CA LYS A 90 3.264 -22.906 3.847 1.00 0.00 C ATOM 1456 C LYS A 90 3.917 -22.464 5.167 1.00 0.00 C ATOM 1457 O LYS A 90 5.036 -21.962 5.188 1.00 0.00 O ATOM 1458 CB LYS A 90 4.209 -23.830 3.078 1.00 0.00 C ATOM 1459 CG LYS A 90 4.360 -25.219 3.682 1.00 0.00 C ATOM 1460 CD LYS A 90 3.066 -26.012 3.577 1.00 0.00 C ATOM 1461 CE LYS A 90 3.241 -27.431 4.099 1.00 0.00 C ATOM 1462 NZ LYS A 90 2.027 -28.261 3.873 1.00 0.00 N ATOM 0 H LYS A 90 3.342 -21.730 2.103 1.00 0.00 H new ATOM 0 HA LYS A 90 2.350 -23.448 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.847 -23.930 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.192 -23.362 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.160 -25.755 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.652 -25.133 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.282 -25.509 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.739 -26.043 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.095 -27.896 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.466 -27.400 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.238 -29.254 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.256 -27.922 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.738 -28.189 2.877 1.00 0.00 H new ATOM 1476 N THR A 91 3.209 -22.657 6.275 1.00 0.00 N ATOM 1477 CA THR A 91 3.729 -22.273 7.597 1.00 0.00 C ATOM 1478 C THR A 91 4.513 -23.412 8.275 1.00 0.00 C ATOM 1479 O THR A 91 5.251 -23.191 9.239 1.00 0.00 O ATOM 1480 CB THR A 91 2.590 -21.829 8.535 1.00 0.00 C ATOM 1481 OG1 THR A 91 1.691 -22.925 8.750 1.00 0.00 O ATOM 1482 CG2 THR A 91 1.826 -20.661 7.929 1.00 0.00 C ATOM 0 H THR A 91 2.278 -23.074 6.292 1.00 0.00 H new ATOM 0 HA THR A 91 4.411 -21.441 7.421 1.00 0.00 H new ATOM 0 HB THR A 91 3.022 -21.513 9.485 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.968 -22.642 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.025 -20.360 8.605 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.505 -19.822 7.775 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.399 -20.962 6.972 1.00 0.00 H new ATOM 1490 N SER A 92 4.358 -24.627 7.761 1.00 0.00 N ATOM 1491 CA SER A 92 5.040 -25.804 8.316 1.00 0.00 C ATOM 1492 C SER A 92 6.337 -26.116 7.557 1.00 0.00 C ATOM 1493 O SER A 92 6.559 -25.624 6.446 1.00 0.00 O ATOM 1494 CB SER A 92 4.113 -27.004 8.286 1.00 0.00 C ATOM 1495 OG SER A 92 2.993 -26.825 9.109 1.00 0.00 O ATOM 0 H SER A 92 3.764 -24.829 6.957 1.00 0.00 H new ATOM 0 HA SER A 92 5.307 -25.580 9.349 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.785 -27.183 7.262 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.659 -27.892 8.605 1.00 0.00 H new ATOM 0 HG SER A 92 2.421 -27.619 9.060 1.00 0.00 H new ATOM 1501 N ALA A 93 7.200 -26.921 8.176 1.00 0.00 N ATOM 1502 CA ALA A 93 8.489 -27.299 7.588 1.00 0.00 C ATOM 1503 C ALA A 93 8.823 -28.763 7.916 1.00 0.00 C ATOM 1504 O ALA A 93 9.525 -29.052 8.888 1.00 0.00 O ATOM 1505 CB ALA A 93 9.594 -26.366 8.075 1.00 0.00 C ATOM 0 H ALA A 93 7.029 -27.329 9.095 1.00 0.00 H new ATOM 0 HA ALA A 93 8.417 -27.202 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.543 -26.662 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.360 -25.342 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.669 -26.427 9.161 1.00 0.00 H new ATOM 1511 N HIS A 94 8.306 -29.677 7.103 1.00 0.00 N ATOM 1512 CA HIS A 94 8.430 -31.123 7.346 1.00 0.00 C ATOM 1513 C HIS A 94 9.471 -31.758 6.397 1.00 0.00 C ATOM 1514 O HIS A 94 10.284 -31.050 5.808 1.00 0.00 O ATOM 1515 CB HIS A 94 7.074 -31.815 7.183 1.00 0.00 C ATOM 1516 CG HIS A 94 6.038 -31.345 8.156 1.00 0.00 C ATOM 1517 ND1 HIS A 94 6.106 -31.620 9.506 1.00 0.00 N ATOM 1518 CD2 HIS A 94 4.908 -30.621 7.975 1.00 0.00 C ATOM 1519 CE1 HIS A 94 5.063 -31.083 10.114 1.00 0.00 C ATOM 1520 NE2 HIS A 94 4.321 -30.473 9.208 1.00 0.00 N ATOM 0 H HIS A 94 7.788 -29.444 6.256 1.00 0.00 H new ATOM 0 HA HIS A 94 8.773 -31.262 8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 94 6.710 -31.648 6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 94 7.208 -32.890 7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.538 -30.233 7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.853 -31.134 11.172 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.452 -29.972 9.394 1.00 0.00 H new ATOM 1525 N GLY A 95 9.468 -33.094 6.289 1.00 0.00 N ATOM 1526 CA GLY A 95 10.423 -33.802 5.429 1.00 0.00 C ATOM 1527 C GLY A 95 10.252 -33.504 3.937 1.00 0.00 C ATOM 1528 O GLY A 95 11.142 -33.800 3.141 1.00 0.00 O ATOM 0 H GLY A 95 8.817 -33.703 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.436 -33.534 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.316 -34.875 5.590 1.00 0.00 H new ATOM 1532 N ILE A 96 9.106 -32.925 3.559 1.00 0.00 N ATOM 1533 CA ILE A 96 8.889 -32.434 2.185 1.00 0.00 C ATOM 1534 C ILE A 96 8.836 -30.887 2.130 1.00 0.00 C ATOM 1535 O ILE A 96 7.775 -30.281 2.287 1.00 0.00 O ATOM 1536 CB ILE A 96 7.590 -33.004 1.588 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.645 -34.533 1.549 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.352 -32.441 0.195 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.351 -35.181 1.113 1.00 0.00 C ATOM 0 H ILE A 96 8.312 -32.783 4.183 1.00 0.00 H new ATOM 0 HA ILE A 96 9.739 -32.777 1.595 1.00 0.00 H new ATOM 0 HB ILE A 96 6.757 -32.706 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.441 -34.841 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.909 -34.903 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.429 -32.855 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.269 -31.356 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.187 -32.709 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.469 -36.265 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.555 -34.904 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.094 -34.842 0.109 1.00 0.00 H new ATOM 1551 N PRO A 97 9.995 -30.217 1.951 1.00 0.00 N ATOM 1552 CA PRO A 97 10.059 -28.757 1.846 1.00 0.00 C ATOM 1553 C PRO A 97 9.663 -28.209 0.456 1.00 0.00 C ATOM 1554 O PRO A 97 9.460 -27.007 0.297 1.00 0.00 O ATOM 1555 CB PRO A 97 11.539 -28.502 2.124 1.00 0.00 C ATOM 1556 CG PRO A 97 12.238 -29.729 1.614 1.00 0.00 C ATOM 1557 CD PRO A 97 11.300 -30.903 1.843 1.00 0.00 C ATOM 0 HA PRO A 97 9.360 -28.261 2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.889 -27.605 1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.723 -28.355 3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.475 -29.626 0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.181 -29.881 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.323 -31.614 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.549 -31.457 2.748 1.00 0.00 H new ATOM 1565 N MET A 98 9.562 -29.096 -0.539 1.00 0.00 N ATOM 1566 CA MET A 98 9.270 -28.697 -1.923 1.00 0.00 C ATOM 1567 C MET A 98 7.758 -28.674 -2.216 1.00 0.00 C ATOM 1568 O MET A 98 6.940 -29.026 -1.366 1.00 0.00 O ATOM 1569 CB MET A 98 9.978 -29.639 -2.894 1.00 0.00 C ATOM 1570 CG MET A 98 11.497 -29.604 -2.812 1.00 0.00 C ATOM 1571 SD MET A 98 12.282 -30.763 -3.948 1.00 0.00 S ATOM 1572 CE MET A 98 14.007 -30.339 -3.727 1.00 0.00 C ATOM 0 H MET A 98 9.679 -30.101 -0.412 1.00 0.00 H new ATOM 0 HA MET A 98 9.641 -27.681 -2.057 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.640 -30.658 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.676 -29.387 -3.910 1.00 0.00 H new ATOM 0 HG2 MET A 98 11.845 -28.595 -3.031 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.807 -29.834 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 98 14.626 -31.008 -4.325 1.00 0.00 H new ATOM 0 HE2 MET A 98 14.172 -29.310 -4.045 1.00 0.00 H new ATOM 0 HE3 MET A 98 14.275 -30.441 -2.675 1.00 0.00 H new ATOM 1582 N ILE A 99 7.404 -28.264 -3.436 1.00 0.00 N ATOM 1583 CA ILE A 99 5.998 -28.193 -3.872 1.00 0.00 C ATOM 1584 C ILE A 99 5.337 -29.589 -3.934 1.00 0.00 C ATOM 1585 O ILE A 99 4.116 -29.711 -3.832 1.00 0.00 O ATOM 1586 CB ILE A 99 5.876 -27.522 -5.253 1.00 0.00 C ATOM 1587 CG1 ILE A 99 6.273 -26.047 -5.165 1.00 0.00 C ATOM 1588 CG2 ILE A 99 4.461 -27.665 -5.791 1.00 0.00 C ATOM 1589 CD1 ILE A 99 6.432 -25.376 -6.510 1.00 0.00 C ATOM 0 H ILE A 99 8.074 -27.973 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 99 5.477 -27.593 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 99 6.556 -28.021 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.518 -25.511 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.211 -25.965 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.393 -27.185 -6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.214 -28.722 -5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.761 -27.190 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.714 -24.333 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.208 -25.886 -7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.489 -25.425 -7.055 1.00 0.00 H new ATOM 1601 N GLY A 100 6.146 -30.637 -4.086 1.00 0.00 N ATOM 1602 CA GLY A 100 5.591 -31.980 -4.244 1.00 0.00 C ATOM 1603 C GLY A 100 6.515 -33.114 -3.788 1.00 0.00 C ATOM 1604 O GLY A 100 6.574 -33.445 -2.602 1.00 0.00 O ATOM 0 H GLY A 100 7.165 -30.586 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.659 -32.041 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.341 -32.134 -5.294 1.00 0.00 H new ATOM 1608 N GLU A 101 7.262 -33.682 -4.731 1.00 0.00 N ATOM 1609 CA GLU A 101 8.141 -34.825 -4.453 1.00 0.00 C ATOM 1610 C GLU A 101 9.525 -34.425 -3.918 1.00 0.00 C ATOM 1611 O GLU A 101 10.389 -33.967 -4.665 1.00 0.00 O ATOM 1612 CB GLU A 101 8.309 -35.669 -5.719 1.00 0.00 C ATOM 1613 CG GLU A 101 9.124 -36.939 -5.524 1.00 0.00 C ATOM 1614 CD GLU A 101 9.268 -37.700 -6.814 1.00 0.00 C ATOM 1615 OE1 GLU A 101 8.738 -37.257 -7.805 1.00 0.00 O ATOM 1616 OE2 GLU A 101 9.999 -38.662 -6.835 1.00 0.00 O ATOM 0 H GLU A 101 7.279 -33.370 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 101 7.655 -35.400 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.322 -35.939 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.786 -35.060 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.111 -36.685 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.643 -37.571 -4.778 1.00 0.00 H new ATOM 1623 N ALA A 102 9.721 -34.600 -2.616 1.00 0.00 N ATOM 1624 CA ALA A 102 11.003 -34.300 -1.974 1.00 0.00 C ATOM 1625 C ALA A 102 11.374 -35.414 -0.975 1.00 0.00 C ATOM 1626 O ALA A 102 11.035 -35.345 0.204 1.00 0.00 O ATOM 1627 CB ALA A 102 10.944 -32.944 -1.285 1.00 0.00 C ATOM 0 H ALA A 102 9.006 -34.950 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 102 11.779 -34.258 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.903 -32.734 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.726 -32.171 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.161 -32.955 -0.527 1.00 0.00 H new ATOM 1633 N PRO A 103 12.063 -36.472 -1.447 1.00 0.00 N ATOM 1634 CA PRO A 103 12.555 -37.566 -0.581 1.00 0.00 C ATOM 1635 C PRO A 103 13.674 -37.130 0.385 1.00 0.00 C ATOM 1636 O PRO A 103 14.846 -37.442 0.166 1.00 0.00 O ATOM 1637 CB PRO A 103 13.048 -38.620 -1.577 1.00 0.00 C ATOM 1638 CG PRO A 103 13.466 -37.834 -2.773 1.00 0.00 C ATOM 1639 CD PRO A 103 12.469 -36.710 -2.878 1.00 0.00 C ATOM 0 HA PRO A 103 11.773 -37.931 0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.880 -39.194 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.260 -39.332 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.480 -37.451 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.459 -38.451 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.912 -35.820 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.616 -36.986 -3.498 1.00 0.00 H new ATOM 1647 N LEU A 104 13.310 -36.401 1.448 1.00 0.00 N ATOM 1648 CA LEU A 104 14.291 -35.821 2.387 1.00 0.00 C ATOM 1649 C LEU A 104 15.323 -34.940 1.637 1.00 0.00 C ATOM 1650 O LEU A 104 16.501 -34.882 1.994 1.00 0.00 O ATOM 1651 CB LEU A 104 15.002 -36.936 3.166 1.00 0.00 C ATOM 1652 CG LEU A 104 14.078 -37.871 3.956 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.896 -38.963 4.632 1.00 0.00 C ATOM 1654 CD2 LEU A 104 13.298 -37.065 4.984 1.00 0.00 C ATOM 0 H LEU A 104 12.339 -36.196 1.684 1.00 0.00 H new ATOM 0 HA LEU A 104 13.755 -35.186 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.584 -37.534 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.709 -36.480 3.859 1.00 0.00 H new ATOM 0 HG LEU A 104 13.372 -38.347 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.232 -39.622 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.428 -39.540 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.615 -38.509 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.641 -37.730 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.993 -36.579 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.700 -36.309 4.476 1.00 0.00 H new ATOM 1666 N GLU A 105 14.852 -34.222 0.620 1.00 0.00 N ATOM 1667 CA GLU A 105 15.690 -33.284 -0.129 1.00 0.00 C ATOM 1668 C GLU A 105 15.878 -31.962 0.631 1.00 0.00 C ATOM 1669 O GLU A 105 15.091 -31.023 0.490 1.00 0.00 O ATOM 1670 CB GLU A 105 15.082 -33.017 -1.508 1.00 0.00 C ATOM 1671 CG GLU A 105 15.080 -34.221 -2.438 1.00 0.00 C ATOM 1672 CD GLU A 105 16.458 -34.506 -2.968 1.00 0.00 C ATOM 1673 OE1 GLU A 105 17.359 -33.767 -2.652 1.00 0.00 O ATOM 1674 OE2 GLU A 105 16.632 -35.523 -3.594 1.00 0.00 O ATOM 0 H GLU A 105 13.887 -34.272 0.293 1.00 0.00 H new ATOM 0 HA GLU A 105 16.672 -33.741 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.056 -32.672 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.634 -32.206 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.706 -35.095 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.399 -34.040 -3.269 1.00 0.00 H new ATOM 1681 N HIS A 106 16.920 -31.900 1.450 1.00 0.00 N ATOM 1682 CA HIS A 106 17.155 -30.739 2.307 1.00 0.00 C ATOM 1683 C HIS A 106 18.073 -29.733 1.598 1.00 0.00 C ATOM 1684 O HIS A 106 19.275 -29.683 1.864 1.00 0.00 O ATOM 1685 CB HIS A 106 17.765 -31.164 3.647 1.00 0.00 C ATOM 1686 CG HIS A 106 16.879 -32.064 4.451 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.716 -31.625 5.047 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.987 -33.378 4.760 1.00 0.00 C ATOM 1689 CE1 HIS A 106 15.145 -32.632 5.686 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.897 -33.705 5.528 1.00 0.00 N ATOM 0 H HIS A 106 17.617 -32.639 1.541 1.00 0.00 H new ATOM 0 HA HIS A 106 16.196 -30.261 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.711 -31.672 3.461 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.991 -30.273 4.233 1.00 0.00 H new ATOM 0 HD1 HIS A 106 15.353 -30.673 5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.782 -34.044 4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.221 -32.585 6.242 1.00 0.00 H new ATOM 1695 N HIS A 107 17.505 -28.952 0.680 1.00 0.00 N ATOM 1696 CA HIS A 107 18.267 -27.924 -0.043 1.00 0.00 C ATOM 1697 C HIS A 107 18.980 -26.966 0.924 1.00 0.00 C ATOM 1698 O HIS A 107 18.391 -26.512 1.907 1.00 0.00 O ATOM 1699 CB HIS A 107 17.347 -27.132 -0.978 1.00 0.00 C ATOM 1700 CG HIS A 107 18.082 -26.260 -1.948 1.00 0.00 C ATOM 1701 ND1 HIS A 107 18.679 -25.073 -1.576 1.00 0.00 N ATOM 1702 CD2 HIS A 107 18.317 -26.401 -3.274 1.00 0.00 C ATOM 1703 CE1 HIS A 107 19.250 -24.522 -2.634 1.00 0.00 C ATOM 1704 NE2 HIS A 107 19.045 -25.307 -3.675 1.00 0.00 N ATOM 0 H HIS A 107 16.521 -29.008 0.417 1.00 0.00 H new ATOM 0 HA HIS A 107 19.026 -28.435 -0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.720 -27.830 -1.533 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.681 -26.512 -0.378 1.00 0.00 H new ATOM 0 HD1 HIS A 107 18.680 -24.682 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.993 -27.220 -3.899 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.792 -23.588 -2.644 1.00 0.00 H new ATOM 1709 N HIS A 108 20.250 -26.674 0.631 1.00 0.00 N ATOM 1710 CA HIS A 108 21.048 -25.726 1.424 1.00 0.00 C ATOM 1711 C HIS A 108 20.332 -24.383 1.666 1.00 0.00 C ATOM 1712 O HIS A 108 19.753 -23.793 0.751 1.00 0.00 O ATOM 1713 CB HIS A 108 22.396 -25.473 0.740 1.00 0.00 C ATOM 1714 CG HIS A 108 23.276 -24.516 1.482 1.00 0.00 C ATOM 1715 ND1 HIS A 108 23.897 -24.844 2.670 1.00 0.00 N ATOM 1716 CD2 HIS A 108 23.639 -23.241 1.207 1.00 0.00 C ATOM 1717 CE1 HIS A 108 24.605 -23.810 3.092 1.00 0.00 C ATOM 1718 NE2 HIS A 108 24.465 -22.826 2.223 1.00 0.00 N ATOM 0 H HIS A 108 20.754 -27.083 -0.156 1.00 0.00 H new ATOM 0 HA HIS A 108 21.198 -26.188 2.400 1.00 0.00 H new ATOM 0 HB2 HIS A 108 22.920 -26.422 0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 108 22.218 -25.086 -0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 108 23.336 -22.659 0.349 1.00 0.00 H new ATOM 0 HE1 HIS A 108 25.197 -23.776 3.994 1.00 0.00 H new ATOM 0 HE2 HIS A 108 24.900 -21.906 2.295 1.00 0.00 H new ATOM 1723 N HIS A 109 20.376 -23.922 2.913 1.00 0.00 N ATOM 1724 CA HIS A 109 19.698 -22.691 3.334 1.00 0.00 C ATOM 1725 C HIS A 109 20.323 -22.173 4.641 1.00 0.00 C ATOM 1726 O HIS A 109 21.122 -22.867 5.273 1.00 0.00 O ATOM 1727 CB HIS A 109 18.196 -22.926 3.517 1.00 0.00 C ATOM 1728 CG HIS A 109 17.866 -23.891 4.613 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.935 -25.258 4.447 1.00 0.00 N ATOM 1730 CD2 HIS A 109 17.467 -23.687 5.891 1.00 0.00 C ATOM 1731 CE1 HIS A 109 17.591 -25.853 5.576 1.00 0.00 C ATOM 1732 NE2 HIS A 109 17.302 -24.921 6.467 1.00 0.00 N ATOM 0 H HIS A 109 20.883 -24.390 3.665 1.00 0.00 H new ATOM 0 HA HIS A 109 19.827 -21.941 2.554 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.711 -21.973 3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.779 -23.297 2.581 1.00 0.00 H new ATOM 0 HD1 HIS A 109 18.209 -25.735 3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 109 17.308 -22.731 6.368 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.553 -26.919 5.742 1.00 0.00 H new ATOM 1737 N HIS A 110 19.971 -20.958 5.043 1.00 0.00 N ATOM 1738 CA HIS A 110 20.501 -20.385 6.285 1.00 0.00 C ATOM 1739 C HIS A 110 19.379 -19.832 7.163 1.00 0.00 C ATOM 1740 O HIS A 110 18.355 -19.368 6.665 1.00 0.00 O ATOM 1741 CB HIS A 110 21.519 -19.282 5.982 1.00 0.00 C ATOM 1742 CG HIS A 110 22.744 -19.772 5.273 1.00 0.00 C ATOM 1743 ND1 HIS A 110 23.798 -20.365 5.935 1.00 0.00 N ATOM 1744 CD2 HIS A 110 23.082 -19.755 3.962 1.00 0.00 C ATOM 1745 CE1 HIS A 110 24.734 -20.693 5.059 1.00 0.00 C ATOM 1746 NE2 HIS A 110 24.323 -20.334 3.857 1.00 0.00 N ATOM 0 H HIS A 110 19.327 -20.351 4.536 1.00 0.00 H new ATOM 0 HA HIS A 110 21.000 -21.186 6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 110 21.040 -18.515 5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.816 -18.807 6.917 1.00 0.00 H new ATOM 0 HD1 HIS A 110 23.848 -20.526 6.941 1.00 0.00 H new ATOM 0 HD2 HIS A 110 22.488 -19.360 3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.674 -21.173 5.288 1.00 0.00 H new ATOM 1751 N HIS A 111 19.598 -19.865 8.474 1.00 0.00 N ATOM 1752 CA HIS A 111 18.623 -19.357 9.442 1.00 0.00 C ATOM 1753 C HIS A 111 19.147 -18.060 10.105 1.00 0.00 C ATOM 1754 O HIS A 111 18.913 -16.969 9.548 1.00 0.00 O ATOM 1755 CB HIS A 111 18.314 -20.414 10.506 1.00 0.00 C ATOM 1756 CG HIS A 111 17.662 -21.646 9.959 1.00 0.00 C ATOM 1757 ND1 HIS A 111 16.294 -21.773 9.840 1.00 0.00 N ATOM 1758 CD2 HIS A 111 18.189 -22.805 9.501 1.00 0.00 C ATOM 1759 CE1 HIS A 111 16.007 -22.958 9.330 1.00 0.00 C ATOM 1760 NE2 HIS A 111 17.140 -23.603 9.115 1.00 0.00 N ATOM 1761 OXT HIS A 111 19.827 -18.145 11.147 1.00 0.00 O ATOM 0 H HIS A 111 20.447 -20.240 8.896 1.00 0.00 H new ATOM 0 HA HIS A 111 17.700 -19.128 8.910 1.00 0.00 H new ATOM 0 HB2 HIS A 111 19.241 -20.696 11.006 1.00 0.00 H new ATOM 0 HB3 HIS A 111 17.664 -19.975 11.263 1.00 0.00 H new ATOM 0 HD2 HIS A 111 19.238 -23.056 9.449 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.016 -23.335 9.124 1.00 0.00 H new ATOM 0 HE2 HIS A 111 17.222 -24.542 8.725 1.00 0.00 H new TER 1766 HIS A 111