USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1090 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 Single : A 8 GLN : amide:sc= -4.85! C(o=-4.9!,f=-3.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -111:sc= -3.25! (180deg=-5.21!) USER MOD Single : A 14 ASN : amide:sc= -4.62! C(o=-4.6!,f=-6.8!) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= -0.143 (180deg=-0.677) USER MOD Single : A 22 SER OG : rot -6:sc= -1.43! USER MOD Single : A 25 CYS SG : rot 76:sc= -0.87 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -1.09 USER MOD Single : A 30 THR OG1 : rot -90:sc= 0.223 USER MOD Single : A 37 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.028) USER MOD Single : A 41 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.8!) USER MOD Single : A 42 THR OG1 : rot 89:sc= 0.508 USER MOD Single : A 45 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.9) USER MOD Single : A 46 ASN : amide:sc= -8.25! C(o=-8.2!,f=-22!) USER MOD Single : A 48 CYS SG : rot -45:sc= -7.86! USER MOD Single : A 53 SER OG : rot 58:sc= 1.24 USER MOD Single : A 60 THR OG1 : rot 100:sc= -0.617 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 63 ASN : amide:sc= -3.39! C(o=-3.4!,f=-2.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.62! X(o=-1.6!,f=-1.6) USER MOD Single : A 72 SER OG : rot 120:sc= -0.392 USER MOD Single : A 74 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.25) USER MOD Single : A 77 GLN : amide:sc= -3.29! K(o=-3.3!,f=-1.3) USER MOD Single : A 79 GLN : amide:sc= -3.99! C(o=-4!,f=-2.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= -1.19 (180deg=-2.12) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -119:sc= -0.0522 (180deg=-0.888) USER MOD Single : A 104 ASN : amide:sc= -0.568 X(o=-0.57,f=-1) USER MOD Single : A 107 CYS SG : rot -58:sc= -11.6! USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= -0.044 (180deg=-0.239) USER MOD Single : A 117 HIS : no HD1:sc= -6.68! C(o=-6.7!,f=-9.5!) USER MOD Single : A 122 MET CE :methyl -138:sc= 0 (180deg=-0.114) USER MOD Single : A 124 CYS SG : rot 180:sc= -0.997 USER MOD Single : A 133 GLN : amide:sc= -0.0767 K(o=-0.077,f=-0.81) USER MOD Single : A 134 GLN : amide:sc= -0.0434 K(o=-0.043,f=-0.86) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -13.153 -17.117 -9.407 1.00 0.00 N ATOM 2 CA VAL A 4 -11.805 -17.487 -8.894 1.00 0.00 C ATOM 3 C VAL A 4 -11.734 -19.008 -8.752 1.00 0.00 C ATOM 4 O VAL A 4 -12.744 -19.678 -8.739 1.00 0.00 O ATOM 5 CB VAL A 4 -11.569 -16.823 -7.526 1.00 0.00 C ATOM 6 CG1 VAL A 4 -10.065 -16.727 -7.237 1.00 0.00 C ATOM 7 CG2 VAL A 4 -12.167 -15.412 -7.541 1.00 0.00 C ATOM 0 HA VAL A 4 -11.037 -17.145 -9.588 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.045 -17.424 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.910 -16.256 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.632 -17.727 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.583 -16.130 -8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.003 -14.937 -6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.687 -14.822 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.237 -15.473 -7.738 1.00 0.00 H new ATOM 17 N VAL A 5 -10.552 -19.557 -8.648 1.00 0.00 N ATOM 18 CA VAL A 5 -10.426 -21.032 -8.506 1.00 0.00 C ATOM 19 C VAL A 5 -10.955 -21.446 -7.125 1.00 0.00 C ATOM 20 O VAL A 5 -10.395 -21.073 -6.126 1.00 0.00 O ATOM 21 CB VAL A 5 -8.947 -21.411 -8.635 1.00 0.00 C ATOM 22 CG1 VAL A 5 -8.140 -20.802 -7.476 1.00 0.00 C ATOM 23 CG2 VAL A 5 -8.801 -22.941 -8.644 1.00 0.00 C ATOM 0 H VAL A 5 -9.670 -19.045 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.002 -21.542 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.558 -21.014 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.091 -21.078 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.233 -19.716 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.523 -21.179 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.748 -23.205 -8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.198 -23.350 -7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.354 -23.354 -9.488 1.00 0.00 H new ATOM 33 N PRO A 6 -12.020 -22.209 -7.047 1.00 0.00 N ATOM 34 CA PRO A 6 -12.569 -22.641 -5.727 1.00 0.00 C ATOM 35 C PRO A 6 -11.505 -23.258 -4.806 1.00 0.00 C ATOM 36 O PRO A 6 -11.746 -23.457 -3.634 1.00 0.00 O ATOM 37 CB PRO A 6 -13.627 -23.692 -6.102 1.00 0.00 C ATOM 38 CG PRO A 6 -14.059 -23.332 -7.483 1.00 0.00 C ATOM 39 CD PRO A 6 -12.832 -22.737 -8.169 1.00 0.00 C ATOM 0 HA PRO A 6 -12.965 -21.795 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.211 -24.699 -6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.467 -23.671 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.418 -24.210 -8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.879 -22.614 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.287 -23.491 -8.737 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.108 -21.948 -8.869 1.00 0.00 H new ATOM 47 N ASP A 7 -10.346 -23.575 -5.324 1.00 0.00 N ATOM 48 CA ASP A 7 -9.292 -24.200 -4.463 1.00 0.00 C ATOM 49 C ASP A 7 -8.364 -23.125 -3.888 1.00 0.00 C ATOM 50 O ASP A 7 -7.189 -23.356 -3.687 1.00 0.00 O ATOM 51 CB ASP A 7 -8.505 -25.251 -5.271 1.00 0.00 C ATOM 52 CG ASP A 7 -7.588 -24.600 -6.304 1.00 0.00 C ATOM 53 OD1 ASP A 7 -7.273 -23.440 -6.152 1.00 0.00 O ATOM 54 OD2 ASP A 7 -7.190 -25.292 -7.226 1.00 0.00 O ATOM 0 H ASP A 7 -10.083 -23.430 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.770 -24.707 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.911 -25.862 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.203 -25.920 -5.774 1.00 0.00 H new ATOM 59 N GLN A 8 -8.879 -21.950 -3.616 1.00 0.00 N ATOM 60 CA GLN A 8 -8.003 -20.888 -3.048 1.00 0.00 C ATOM 61 C GLN A 8 -7.358 -21.448 -1.787 1.00 0.00 C ATOM 62 O GLN A 8 -6.192 -21.265 -1.504 1.00 0.00 O ATOM 63 CB GLN A 8 -8.856 -19.686 -2.631 1.00 0.00 C ATOM 64 CG GLN A 8 -9.602 -19.129 -3.838 1.00 0.00 C ATOM 65 CD GLN A 8 -10.438 -17.919 -3.424 1.00 0.00 C ATOM 66 OE1 GLN A 8 -10.578 -17.625 -2.254 1.00 0.00 O ATOM 67 NE2 GLN A 8 -11.023 -17.211 -4.351 1.00 0.00 N ATOM 0 H GLN A 8 -9.854 -21.687 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.261 -20.584 -3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.567 -19.984 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.222 -18.913 -2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.892 -18.842 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.247 -19.898 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.904 -17.459 -5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.599 -16.409 -4.093 1.00 0.00 H new ATOM 76 N ARG A 9 -8.139 -22.133 -1.025 1.00 0.00 N ATOM 77 CA ARG A 9 -7.640 -22.735 0.236 1.00 0.00 C ATOM 78 C ARG A 9 -6.365 -23.557 -0.018 1.00 0.00 C ATOM 79 O ARG A 9 -5.384 -23.438 0.687 1.00 0.00 O ATOM 80 CB ARG A 9 -8.731 -23.669 0.765 1.00 0.00 C ATOM 81 CG ARG A 9 -8.386 -24.187 2.174 1.00 0.00 C ATOM 82 CD ARG A 9 -8.817 -23.153 3.223 1.00 0.00 C ATOM 83 NE ARG A 9 -8.246 -23.498 4.569 1.00 0.00 N ATOM 84 CZ ARG A 9 -8.446 -24.663 5.133 1.00 0.00 C ATOM 85 NH1 ARG A 9 -9.316 -25.504 4.637 1.00 0.00 N ATOM 86 NH2 ARG A 9 -7.823 -24.956 6.244 1.00 0.00 N ATOM 0 H ARG A 9 -9.124 -22.309 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.405 -21.946 0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.684 -23.141 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.853 -24.512 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.889 -25.137 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.315 -24.374 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.481 -22.160 2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.905 -23.117 3.281 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.684 -22.802 5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.847 -25.255 3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.463 -26.409 5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.187 -24.279 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.973 -25.861 6.690 1.00 0.00 H new ATOM 100 N SER A 10 -6.395 -24.416 -0.999 1.00 0.00 N ATOM 101 CA SER A 10 -5.208 -25.277 -1.284 1.00 0.00 C ATOM 102 C SER A 10 -4.019 -24.474 -1.825 1.00 0.00 C ATOM 103 O SER A 10 -2.904 -24.639 -1.378 1.00 0.00 O ATOM 104 CB SER A 10 -5.586 -26.353 -2.304 1.00 0.00 C ATOM 105 OG SER A 10 -6.557 -27.222 -1.741 1.00 0.00 O ATOM 0 H SER A 10 -7.192 -24.561 -1.619 1.00 0.00 H new ATOM 0 HA SER A 10 -4.905 -25.729 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.979 -25.889 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.701 -26.919 -2.595 1.00 0.00 H new ATOM 0 HG SER A 10 -6.800 -27.910 -2.396 1.00 0.00 H new ATOM 111 N LYS A 11 -4.218 -23.625 -2.800 1.00 0.00 N ATOM 112 CA LYS A 11 -3.051 -22.871 -3.349 1.00 0.00 C ATOM 113 C LYS A 11 -2.433 -21.994 -2.250 1.00 0.00 C ATOM 114 O LYS A 11 -1.235 -21.806 -2.190 1.00 0.00 O ATOM 115 CB LYS A 11 -3.488 -22.008 -4.548 1.00 0.00 C ATOM 116 CG LYS A 11 -4.211 -20.741 -4.079 1.00 0.00 C ATOM 117 CD LYS A 11 -4.813 -20.010 -5.281 1.00 0.00 C ATOM 118 CE LYS A 11 -5.147 -18.567 -4.890 1.00 0.00 C ATOM 119 NZ LYS A 11 -5.959 -18.572 -3.642 1.00 0.00 N ATOM 0 H LYS A 11 -5.119 -23.423 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.300 -23.581 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.615 -21.734 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.145 -22.587 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.997 -21.002 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.514 -20.086 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.110 -20.018 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.713 -20.524 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.230 -17.997 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.697 -18.078 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.929 -18.265 -3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.981 -19.533 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.536 -17.922 -2.950 1.00 0.00 H new ATOM 133 N PHE A 12 -3.236 -21.447 -1.388 1.00 0.00 N ATOM 134 CA PHE A 12 -2.686 -20.585 -0.307 1.00 0.00 C ATOM 135 C PHE A 12 -1.702 -21.378 0.561 1.00 0.00 C ATOM 136 O PHE A 12 -0.623 -20.920 0.865 1.00 0.00 O ATOM 137 CB PHE A 12 -3.855 -20.045 0.533 1.00 0.00 C ATOM 138 CG PHE A 12 -3.380 -19.468 1.846 1.00 0.00 C ATOM 139 CD1 PHE A 12 -3.115 -20.329 2.917 1.00 0.00 C ATOM 140 CD2 PHE A 12 -3.244 -18.082 2.015 1.00 0.00 C ATOM 141 CE1 PHE A 12 -2.706 -19.815 4.148 1.00 0.00 C ATOM 142 CE2 PHE A 12 -2.841 -17.574 3.255 1.00 0.00 C ATOM 143 CZ PHE A 12 -2.571 -18.439 4.319 1.00 0.00 C ATOM 0 H PHE A 12 -4.250 -21.558 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.138 -19.748 -0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.385 -19.277 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.567 -20.848 0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.228 -21.396 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.449 -17.412 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.494 -20.484 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.738 -16.508 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.258 -18.041 5.273 1.00 0.00 H new ATOM 153 N GLU A 13 -2.058 -22.561 0.973 1.00 0.00 N ATOM 154 CA GLU A 13 -1.118 -23.341 1.826 1.00 0.00 C ATOM 155 C GLU A 13 0.044 -23.934 1.027 1.00 0.00 C ATOM 156 O GLU A 13 1.103 -24.158 1.569 1.00 0.00 O ATOM 157 CB GLU A 13 -1.873 -24.466 2.543 1.00 0.00 C ATOM 158 CG GLU A 13 -2.489 -25.418 1.521 1.00 0.00 C ATOM 159 CD GLU A 13 -3.240 -26.535 2.246 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.586 -27.350 2.874 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.457 -26.569 2.145 1.00 0.00 O ATOM 0 H GLU A 13 -2.945 -23.017 0.761 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.696 -22.647 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.193 -25.012 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.654 -24.045 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.170 -24.874 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.709 -25.842 0.888 1.00 0.00 H new ATOM 168 N ASN A 14 -0.146 -24.234 -0.244 1.00 0.00 N ATOM 169 CA ASN A 14 0.966 -24.879 -1.037 1.00 0.00 C ATOM 170 C ASN A 14 1.664 -23.927 -2.026 1.00 0.00 C ATOM 171 O ASN A 14 2.620 -24.319 -2.665 1.00 0.00 O ATOM 172 CB ASN A 14 0.377 -26.066 -1.808 1.00 0.00 C ATOM 173 CG ASN A 14 -0.509 -25.565 -2.952 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.094 -24.761 -3.758 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.731 -26.024 -3.064 1.00 0.00 N ATOM 0 H ASN A 14 -1.008 -24.064 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 14 1.731 -25.190 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.181 -26.686 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.206 -26.693 -1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.328 -25.704 -3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.085 -26.701 -2.388 1.00 0.00 H new ATOM 182 N GLU A 15 1.233 -22.705 -2.186 1.00 0.00 N ATOM 183 CA GLU A 15 1.945 -21.814 -3.165 1.00 0.00 C ATOM 184 C GLU A 15 3.220 -21.238 -2.531 1.00 0.00 C ATOM 185 O GLU A 15 3.190 -20.573 -1.520 1.00 0.00 O ATOM 186 CB GLU A 15 1.027 -20.669 -3.619 1.00 0.00 C ATOM 187 CG GLU A 15 0.035 -21.162 -4.681 1.00 0.00 C ATOM 188 CD GLU A 15 0.756 -21.418 -6.018 1.00 0.00 C ATOM 189 OE1 GLU A 15 1.375 -22.462 -6.156 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.649 -20.575 -6.898 1.00 0.00 O ATOM 0 H GLU A 15 0.440 -22.287 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 15 2.218 -22.411 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.483 -20.270 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.626 -19.854 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.446 -22.079 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.753 -20.422 -4.822 1.00 0.00 H new ATOM 197 N GLU A 16 4.340 -21.498 -3.154 1.00 0.00 N ATOM 198 CA GLU A 16 5.642 -20.988 -2.641 1.00 0.00 C ATOM 199 C GLU A 16 5.814 -19.507 -3.029 1.00 0.00 C ATOM 200 O GLU A 16 6.665 -18.807 -2.528 1.00 0.00 O ATOM 201 CB GLU A 16 6.779 -21.817 -3.251 1.00 0.00 C ATOM 202 CG GLU A 16 8.077 -21.519 -2.506 1.00 0.00 C ATOM 203 CD GLU A 16 9.211 -22.341 -3.107 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.013 -22.902 -4.167 1.00 0.00 O ATOM 205 OE2 GLU A 16 10.268 -22.392 -2.496 1.00 0.00 O ATOM 0 H GLU A 16 4.406 -22.050 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 16 5.665 -21.074 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.545 -22.880 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.891 -21.579 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.310 -20.456 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.964 -21.756 -1.448 1.00 0.00 H new ATOM 212 N PHE A 17 5.021 -19.050 -3.946 1.00 0.00 N ATOM 213 CA PHE A 17 5.123 -17.639 -4.439 1.00 0.00 C ATOM 214 C PHE A 17 5.110 -16.599 -3.297 1.00 0.00 C ATOM 215 O PHE A 17 5.407 -15.443 -3.522 1.00 0.00 O ATOM 216 CB PHE A 17 3.946 -17.423 -5.421 1.00 0.00 C ATOM 217 CG PHE A 17 3.425 -16.000 -5.396 1.00 0.00 C ATOM 218 CD1 PHE A 17 4.237 -14.924 -5.807 1.00 0.00 C ATOM 219 CD2 PHE A 17 2.121 -15.761 -4.956 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.725 -13.616 -5.775 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.616 -14.467 -4.926 1.00 0.00 C ATOM 222 CZ PHE A 17 2.413 -13.392 -5.336 1.00 0.00 C ATOM 0 H PHE A 17 4.286 -19.600 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 17 6.082 -17.491 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.270 -17.670 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.136 -18.108 -5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.247 -15.104 -6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.502 -16.587 -4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.341 -12.786 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.606 -14.290 -4.586 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.016 -12.388 -5.314 1.00 0.00 H new ATOM 232 N PHE A 18 4.753 -16.951 -2.098 1.00 0.00 N ATOM 233 CA PHE A 18 4.731 -15.909 -1.023 1.00 0.00 C ATOM 234 C PHE A 18 6.137 -15.571 -0.531 1.00 0.00 C ATOM 235 O PHE A 18 6.561 -14.439 -0.599 1.00 0.00 O ATOM 236 CB PHE A 18 3.899 -16.406 0.147 1.00 0.00 C ATOM 237 CG PHE A 18 2.595 -16.929 -0.387 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.725 -16.078 -1.088 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.258 -18.270 -0.200 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.525 -16.574 -1.595 1.00 0.00 C ATOM 241 CE2 PHE A 18 1.062 -18.765 -0.710 1.00 0.00 C ATOM 242 CZ PHE A 18 0.196 -17.916 -1.407 1.00 0.00 C ATOM 0 H PHE A 18 4.480 -17.891 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 18 4.294 -15.004 -1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.431 -17.191 0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.722 -15.598 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.986 -15.040 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.926 -18.924 0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.148 -15.921 -2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.802 -19.804 -0.568 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.732 -18.302 -1.802 1.00 0.00 H new ATOM 252 N ARG A 19 6.859 -16.521 -0.021 1.00 0.00 N ATOM 253 CA ARG A 19 8.230 -16.207 0.469 1.00 0.00 C ATOM 254 C ARG A 19 9.061 -15.666 -0.697 1.00 0.00 C ATOM 255 O ARG A 19 9.913 -14.816 -0.529 1.00 0.00 O ATOM 256 CB ARG A 19 8.891 -17.472 1.060 1.00 0.00 C ATOM 257 CG ARG A 19 8.392 -18.730 0.325 1.00 0.00 C ATOM 258 CD ARG A 19 7.159 -19.307 1.044 1.00 0.00 C ATOM 259 NE ARG A 19 7.597 -20.129 2.224 1.00 0.00 N ATOM 260 CZ ARG A 19 8.368 -21.169 2.074 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.628 -21.617 0.887 1.00 0.00 N ATOM 262 NH2 ARG A 19 8.860 -21.787 3.106 1.00 0.00 N ATOM 0 H ARG A 19 6.567 -17.493 0.079 1.00 0.00 H new ATOM 0 HA ARG A 19 8.174 -15.455 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.975 -17.398 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.661 -17.548 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.139 -18.482 -0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.184 -19.478 0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.507 -18.498 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.580 -19.922 0.355 1.00 0.00 H new ATOM 0 HE ARG A 19 7.285 -19.868 3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.229 -21.156 0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.231 -22.431 0.770 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.644 -21.459 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.462 -22.600 2.974 1.00 0.00 H new ATOM 276 N LYS A 20 8.838 -16.164 -1.880 1.00 0.00 N ATOM 277 CA LYS A 20 9.634 -15.699 -3.051 1.00 0.00 C ATOM 278 C LYS A 20 9.394 -14.211 -3.337 1.00 0.00 C ATOM 279 O LYS A 20 10.309 -13.491 -3.688 1.00 0.00 O ATOM 280 CB LYS A 20 9.240 -16.532 -4.277 1.00 0.00 C ATOM 281 CG LYS A 20 9.526 -18.020 -4.001 1.00 0.00 C ATOM 282 CD LYS A 20 11.036 -18.240 -3.804 1.00 0.00 C ATOM 283 CE LYS A 20 11.387 -19.702 -4.072 1.00 0.00 C ATOM 284 NZ LYS A 20 11.212 -19.997 -5.524 1.00 0.00 N ATOM 0 H LYS A 20 8.137 -16.875 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 20 10.693 -15.827 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.183 -16.390 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.800 -16.199 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.984 -18.344 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.167 -18.628 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.598 -17.593 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.323 -17.968 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.415 -19.901 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.748 -20.355 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.868 -20.753 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.234 -20.303 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.412 -19.140 -6.079 1.00 0.00 H new ATOM 298 N LEU A 21 8.173 -13.748 -3.211 1.00 0.00 N ATOM 299 CA LEU A 21 7.864 -12.304 -3.506 1.00 0.00 C ATOM 300 C LEU A 21 7.301 -11.617 -2.259 1.00 0.00 C ATOM 301 O LEU A 21 7.639 -10.489 -1.953 1.00 0.00 O ATOM 302 CB LEU A 21 6.801 -12.251 -4.624 1.00 0.00 C ATOM 303 CG LEU A 21 7.444 -12.184 -6.024 1.00 0.00 C ATOM 304 CD1 LEU A 21 8.034 -10.786 -6.278 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.538 -13.252 -6.171 1.00 0.00 C ATOM 0 H LEU A 21 7.372 -14.306 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 21 8.777 -11.794 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.162 -13.132 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.161 -11.381 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 21 6.668 -12.378 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.484 -10.756 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.242 -10.040 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.795 -10.570 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.978 -13.187 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.311 -13.087 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.102 -14.241 -6.031 1.00 0.00 H new ATOM 317 N SER A 22 6.430 -12.278 -1.564 1.00 0.00 N ATOM 318 CA SER A 22 5.821 -11.661 -0.365 1.00 0.00 C ATOM 319 C SER A 22 6.822 -11.696 0.795 1.00 0.00 C ATOM 320 O SER A 22 6.702 -12.471 1.721 1.00 0.00 O ATOM 321 CB SER A 22 4.524 -12.412 -0.018 1.00 0.00 C ATOM 322 OG SER A 22 4.829 -13.555 0.764 1.00 0.00 O ATOM 0 H SER A 22 6.112 -13.224 -1.776 1.00 0.00 H new ATOM 0 HA SER A 22 5.572 -10.618 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.847 -11.755 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.010 -12.711 -0.931 1.00 0.00 H new ATOM 0 HG SER A 22 5.801 -13.661 0.823 1.00 0.00 H new ATOM 328 N ARG A 23 7.808 -10.842 0.738 1.00 0.00 N ATOM 329 CA ARG A 23 8.831 -10.778 1.818 1.00 0.00 C ATOM 330 C ARG A 23 9.275 -9.324 1.959 1.00 0.00 C ATOM 331 O ARG A 23 8.774 -8.448 1.274 1.00 0.00 O ATOM 332 CB ARG A 23 10.041 -11.664 1.472 1.00 0.00 C ATOM 333 CG ARG A 23 10.838 -11.055 0.317 1.00 0.00 C ATOM 334 CD ARG A 23 11.882 -12.067 -0.159 1.00 0.00 C ATOM 335 NE ARG A 23 12.812 -11.415 -1.136 1.00 0.00 N ATOM 336 CZ ARG A 23 12.368 -10.818 -2.214 1.00 0.00 C ATOM 337 NH1 ARG A 23 11.133 -10.976 -2.604 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.190 -10.113 -2.944 1.00 0.00 N ATOM 0 H ARG A 23 7.949 -10.177 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 23 8.406 -11.142 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.682 -11.772 2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.702 -12.663 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.170 -10.790 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.326 -10.135 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.445 -12.451 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.389 -12.920 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 23 13.816 -11.437 -0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.501 -11.570 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.800 -10.505 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.170 -10.030 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.852 -9.645 -3.785 1.00 0.00 H new ATOM 352 N GLU A 24 10.200 -9.046 2.833 1.00 0.00 N ATOM 353 CA GLU A 24 10.666 -7.643 2.967 1.00 0.00 C ATOM 354 C GLU A 24 11.302 -7.244 1.630 1.00 0.00 C ATOM 355 O GLU A 24 12.263 -7.845 1.196 1.00 0.00 O ATOM 356 CB GLU A 24 11.671 -7.553 4.121 1.00 0.00 C ATOM 357 CG GLU A 24 12.911 -8.391 3.815 1.00 0.00 C ATOM 358 CD GLU A 24 13.648 -8.686 5.124 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.631 -7.829 5.993 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.203 -9.762 5.242 1.00 0.00 O ATOM 0 H GLU A 24 10.648 -9.721 3.453 1.00 0.00 H new ATOM 0 HA GLU A 24 9.845 -6.963 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.957 -6.514 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.207 -7.902 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.625 -9.322 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.566 -7.857 3.126 1.00 0.00 H new ATOM 367 N CYS A 25 10.747 -6.260 0.948 1.00 0.00 N ATOM 368 CA CYS A 25 11.302 -5.851 -0.391 1.00 0.00 C ATOM 369 C CYS A 25 11.476 -4.320 -0.467 1.00 0.00 C ATOM 370 O CYS A 25 10.721 -3.577 0.119 1.00 0.00 O ATOM 371 CB CYS A 25 10.326 -6.323 -1.483 1.00 0.00 C ATOM 372 SG CYS A 25 10.412 -8.129 -1.645 1.00 0.00 S ATOM 0 H CYS A 25 9.937 -5.725 1.260 1.00 0.00 H new ATOM 0 HA CYS A 25 12.282 -6.307 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.310 -6.019 -1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.574 -5.851 -2.434 1.00 0.00 H new ATOM 0 HG CYS A 25 9.783 -8.684 -0.652 1.00 0.00 H new ATOM 378 N GLU A 26 12.455 -3.837 -1.201 1.00 0.00 N ATOM 379 CA GLU A 26 12.644 -2.359 -1.314 1.00 0.00 C ATOM 380 C GLU A 26 11.445 -1.789 -2.080 1.00 0.00 C ATOM 381 O GLU A 26 10.957 -2.408 -3.009 1.00 0.00 O ATOM 382 CB GLU A 26 13.938 -2.064 -2.083 1.00 0.00 C ATOM 383 CG GLU A 26 15.135 -2.708 -1.353 1.00 0.00 C ATOM 384 CD GLU A 26 16.442 -2.419 -2.099 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.385 -1.825 -3.160 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.486 -2.807 -1.592 1.00 0.00 O ATOM 0 H GLU A 26 13.125 -4.402 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 26 12.714 -1.905 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.866 -2.454 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.086 -0.987 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.198 -2.322 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.984 -3.785 -1.276 1.00 0.00 H new ATOM 393 N ILE A 27 10.943 -0.637 -1.695 1.00 0.00 N ATOM 394 CA ILE A 27 9.750 -0.066 -2.408 1.00 0.00 C ATOM 395 C ILE A 27 9.920 1.434 -2.634 1.00 0.00 C ATOM 396 O ILE A 27 10.571 2.132 -1.855 1.00 0.00 O ATOM 397 CB ILE A 27 8.501 -0.302 -1.557 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.487 0.604 -0.308 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.490 -1.749 -1.094 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.215 0.346 0.511 1.00 0.00 C ATOM 0 H ILE A 27 11.303 -0.072 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 27 9.653 -0.558 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 27 7.627 -0.072 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.369 0.410 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.531 1.651 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.604 -1.930 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.475 -2.409 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.383 -1.948 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.212 0.989 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.339 0.563 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.189 -0.698 0.824 1.00 0.00 H new ATOM 412 N LYS A 28 9.298 1.956 -3.666 1.00 0.00 N ATOM 413 CA LYS A 28 9.395 3.421 -3.915 1.00 0.00 C ATOM 414 C LYS A 28 8.087 3.952 -4.499 1.00 0.00 C ATOM 415 O LYS A 28 7.461 3.338 -5.356 1.00 0.00 O ATOM 416 CB LYS A 28 10.537 3.711 -4.890 1.00 0.00 C ATOM 417 CG LYS A 28 10.453 2.759 -6.089 1.00 0.00 C ATOM 418 CD LYS A 28 11.415 3.232 -7.180 1.00 0.00 C ATOM 419 CE LYS A 28 12.849 3.203 -6.645 1.00 0.00 C ATOM 420 NZ LYS A 28 13.797 3.065 -7.779 1.00 0.00 N ATOM 0 H LYS A 28 8.735 1.434 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 28 9.590 3.919 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.482 4.745 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.496 3.592 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.706 1.745 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.434 2.731 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.330 2.591 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.154 4.242 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.060 4.117 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.973 2.372 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.772 3.045 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.600 2.181 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.685 3.872 -8.426 1.00 0.00 H new ATOM 434 N TYR A 29 7.678 5.101 -4.027 1.00 0.00 N ATOM 435 CA TYR A 29 6.418 5.742 -4.504 1.00 0.00 C ATOM 436 C TYR A 29 6.554 6.184 -5.970 1.00 0.00 C ATOM 437 O TYR A 29 7.612 6.564 -6.431 1.00 0.00 O ATOM 438 CB TYR A 29 6.146 6.949 -3.603 1.00 0.00 C ATOM 439 CG TYR A 29 4.798 7.558 -3.919 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.666 8.446 -4.991 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.682 7.243 -3.128 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.425 9.018 -5.279 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.435 7.813 -3.419 1.00 0.00 C ATOM 444 CZ TYR A 29 2.310 8.699 -4.494 1.00 0.00 C ATOM 445 OH TYR A 29 1.081 9.247 -4.798 1.00 0.00 O ATOM 0 H TYR A 29 8.177 5.633 -3.314 1.00 0.00 H new ATOM 0 HA TYR A 29 5.591 5.034 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.176 6.643 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.929 7.695 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.526 8.690 -5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.784 6.562 -2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.325 9.705 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.574 7.569 -2.815 1.00 0.00 H new ATOM 0 HH TYR A 29 0.377 8.754 -4.326 1.00 0.00 H new ATOM 455 N THR A 30 5.481 6.125 -6.707 1.00 0.00 N ATOM 456 CA THR A 30 5.531 6.525 -8.144 1.00 0.00 C ATOM 457 C THR A 30 5.521 8.065 -8.255 1.00 0.00 C ATOM 458 O THR A 30 4.632 8.724 -7.761 1.00 0.00 O ATOM 459 CB THR A 30 4.301 5.935 -8.851 1.00 0.00 C ATOM 460 OG1 THR A 30 3.156 6.135 -8.032 1.00 0.00 O ATOM 461 CG2 THR A 30 4.515 4.432 -9.083 1.00 0.00 C ATOM 0 H THR A 30 4.567 5.816 -6.376 1.00 0.00 H new ATOM 0 HA THR A 30 6.442 6.151 -8.611 1.00 0.00 H new ATOM 0 HB THR A 30 4.155 6.428 -9.812 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.044 5.367 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.642 4.013 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.398 4.282 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.657 3.933 -8.125 1.00 0.00 H new ATOM 469 N GLY A 31 6.510 8.649 -8.898 1.00 0.00 N ATOM 470 CA GLY A 31 6.549 10.145 -9.026 1.00 0.00 C ATOM 471 C GLY A 31 7.707 10.539 -9.946 1.00 0.00 C ATOM 472 O GLY A 31 8.561 9.734 -10.252 1.00 0.00 O ATOM 0 H GLY A 31 7.288 8.157 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.606 10.512 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.675 10.603 -8.045 1.00 0.00 H new ATOM 476 N PHE A 32 7.745 11.773 -10.395 1.00 0.00 N ATOM 477 CA PHE A 32 8.852 12.203 -11.301 1.00 0.00 C ATOM 478 C PHE A 32 9.961 12.883 -10.496 1.00 0.00 C ATOM 479 O PHE A 32 9.837 14.012 -10.067 1.00 0.00 O ATOM 480 CB PHE A 32 8.294 13.190 -12.326 1.00 0.00 C ATOM 481 CG PHE A 32 7.386 12.459 -13.287 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.948 11.614 -14.247 1.00 0.00 C ATOM 483 CD2 PHE A 32 6.000 12.630 -13.223 1.00 0.00 C ATOM 484 CE1 PHE A 32 7.124 10.936 -15.150 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.170 11.955 -14.128 1.00 0.00 C ATOM 486 CZ PHE A 32 5.733 11.104 -15.095 1.00 0.00 C ATOM 0 H PHE A 32 7.060 12.495 -10.173 1.00 0.00 H new ATOM 0 HA PHE A 32 9.267 11.330 -11.804 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.743 13.983 -11.820 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.110 13.666 -12.870 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.019 11.485 -14.292 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.569 13.282 -12.477 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.559 10.282 -15.891 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.099 12.088 -14.083 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.096 10.581 -15.793 1.00 0.00 H new ATOM 496 N ARG A 33 11.051 12.197 -10.317 1.00 0.00 N ATOM 497 CA ARG A 33 12.203 12.763 -9.566 1.00 0.00 C ATOM 498 C ARG A 33 12.729 14.008 -10.288 1.00 0.00 C ATOM 499 O ARG A 33 13.640 14.663 -9.818 1.00 0.00 O ATOM 500 CB ARG A 33 13.316 11.707 -9.474 1.00 0.00 C ATOM 501 CG ARG A 33 12.770 10.447 -8.785 1.00 0.00 C ATOM 502 CD ARG A 33 13.923 9.494 -8.419 1.00 0.00 C ATOM 503 NE ARG A 33 13.443 8.071 -8.401 1.00 0.00 N ATOM 504 CZ ARG A 33 12.322 7.717 -7.812 1.00 0.00 C ATOM 505 NH1 ARG A 33 11.673 8.539 -7.043 1.00 0.00 N ATOM 506 NH2 ARG A 33 11.878 6.495 -7.941 1.00 0.00 N ATOM 0 H ARG A 33 11.196 11.250 -10.666 1.00 0.00 H new ATOM 0 HA ARG A 33 11.882 13.042 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.681 11.460 -10.471 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.163 12.103 -8.913 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.220 10.726 -7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.066 9.940 -9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.734 9.601 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.327 9.760 -7.442 1.00 0.00 H new ATOM 0 HE ARG A 33 14.005 7.355 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.031 9.481 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.805 8.242 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.401 5.819 -8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.009 6.217 -7.485 1.00 0.00 H new ATOM 520 N ASP A 34 12.185 14.350 -11.430 1.00 0.00 N ATOM 521 CA ASP A 34 12.698 15.547 -12.149 1.00 0.00 C ATOM 522 C ASP A 34 12.169 16.801 -11.457 1.00 0.00 C ATOM 523 O ASP A 34 12.592 17.902 -11.734 1.00 0.00 O ATOM 524 CB ASP A 34 12.234 15.507 -13.612 1.00 0.00 C ATOM 525 CG ASP A 34 10.719 15.737 -13.707 1.00 0.00 C ATOM 526 OD1 ASP A 34 10.080 15.834 -12.675 1.00 0.00 O ATOM 527 OD2 ASP A 34 10.221 15.796 -14.820 1.00 0.00 O ATOM 0 H ASP A 34 11.418 13.857 -11.887 1.00 0.00 H new ATOM 0 HA ASP A 34 13.788 15.557 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.759 16.270 -14.186 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.489 14.544 -14.053 1.00 0.00 H new ATOM 532 N ARG A 35 11.275 16.635 -10.519 1.00 0.00 N ATOM 533 CA ARG A 35 10.756 17.811 -9.778 1.00 0.00 C ATOM 534 C ARG A 35 11.747 18.123 -8.642 1.00 0.00 C ATOM 535 O ARG A 35 12.182 17.220 -7.962 1.00 0.00 O ATOM 536 CB ARG A 35 9.385 17.469 -9.184 1.00 0.00 C ATOM 537 CG ARG A 35 8.302 17.409 -10.299 1.00 0.00 C ATOM 538 CD ARG A 35 7.034 18.152 -9.857 1.00 0.00 C ATOM 539 NE ARG A 35 5.868 17.626 -10.629 1.00 0.00 N ATOM 540 CZ ARG A 35 5.883 17.597 -11.933 1.00 0.00 C ATOM 541 NH1 ARG A 35 6.793 18.254 -12.597 1.00 0.00 N ATOM 542 NH2 ARG A 35 4.942 16.956 -12.578 1.00 0.00 N ATOM 0 H ARG A 35 10.885 15.736 -10.237 1.00 0.00 H new ATOM 0 HA ARG A 35 10.651 18.671 -10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.436 16.510 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.108 18.217 -8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.690 17.853 -11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.062 16.370 -10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.871 18.015 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.146 19.223 -10.027 1.00 0.00 H new ATOM 0 HE ARG A 35 5.048 17.284 -10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.499 18.795 -12.097 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.799 18.227 -13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.201 16.482 -12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.949 16.930 -13.598 1.00 0.00 H new ATOM 556 N PRO A 36 12.134 19.366 -8.440 1.00 0.00 N ATOM 557 CA PRO A 36 13.111 19.721 -7.364 1.00 0.00 C ATOM 558 C PRO A 36 12.814 19.009 -6.033 1.00 0.00 C ATOM 559 O PRO A 36 11.882 18.236 -5.916 1.00 0.00 O ATOM 560 CB PRO A 36 12.957 21.241 -7.224 1.00 0.00 C ATOM 561 CG PRO A 36 12.523 21.710 -8.576 1.00 0.00 C ATOM 562 CD PRO A 36 11.711 20.561 -9.198 1.00 0.00 C ATOM 0 HA PRO A 36 14.124 19.410 -7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.220 21.495 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.896 21.708 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.919 22.614 -8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.385 21.956 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.639 20.734 -9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.923 20.454 -10.262 1.00 0.00 H new ATOM 570 N HIS A 37 13.593 19.276 -5.019 1.00 0.00 N ATOM 571 CA HIS A 37 13.349 18.623 -3.696 1.00 0.00 C ATOM 572 C HIS A 37 11.931 18.940 -3.252 1.00 0.00 C ATOM 573 O HIS A 37 11.410 18.355 -2.333 1.00 0.00 O ATOM 574 CB HIS A 37 14.330 19.174 -2.657 1.00 0.00 C ATOM 575 CG HIS A 37 14.134 20.653 -2.518 1.00 0.00 C ATOM 576 ND1 HIS A 37 13.749 21.226 -1.321 1.00 0.00 N ATOM 577 CD2 HIS A 37 14.276 21.691 -3.403 1.00 0.00 C ATOM 578 CE1 HIS A 37 13.676 22.553 -1.510 1.00 0.00 C ATOM 579 NE2 HIS A 37 13.986 22.890 -2.760 1.00 0.00 N ATOM 0 H HIS A 37 14.387 19.916 -5.047 1.00 0.00 H new ATOM 0 HA HIS A 37 13.488 17.546 -3.788 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.172 18.684 -1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.355 18.959 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.568 21.593 -4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.400 23.260 -0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.007 23.828 -3.161 1.00 0.00 H new ATOM 587 N GLU A 38 11.308 19.863 -3.912 1.00 0.00 N ATOM 588 CA GLU A 38 9.916 20.236 -3.549 1.00 0.00 C ATOM 589 C GLU A 38 9.011 19.014 -3.672 1.00 0.00 C ATOM 590 O GLU A 38 7.926 18.975 -3.124 1.00 0.00 O ATOM 591 CB GLU A 38 9.434 21.352 -4.486 1.00 0.00 C ATOM 592 CG GLU A 38 9.253 20.824 -5.923 1.00 0.00 C ATOM 593 CD GLU A 38 8.803 21.967 -6.836 1.00 0.00 C ATOM 594 OE1 GLU A 38 7.611 22.225 -6.883 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.655 22.571 -7.469 1.00 0.00 O ATOM 0 H GLU A 38 11.704 20.382 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 38 9.884 20.593 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.490 21.756 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.153 22.171 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.190 20.401 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.515 20.022 -5.936 1.00 0.00 H new ATOM 602 N GLU A 39 9.431 18.024 -4.404 1.00 0.00 N ATOM 603 CA GLU A 39 8.576 16.836 -4.574 1.00 0.00 C ATOM 604 C GLU A 39 8.464 16.064 -3.254 1.00 0.00 C ATOM 605 O GLU A 39 7.495 15.381 -3.015 1.00 0.00 O ATOM 606 CB GLU A 39 9.217 15.962 -5.641 1.00 0.00 C ATOM 607 CG GLU A 39 10.474 15.290 -5.090 1.00 0.00 C ATOM 608 CD GLU A 39 11.279 14.711 -6.251 1.00 0.00 C ATOM 609 OE1 GLU A 39 10.781 14.752 -7.365 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.379 14.243 -6.011 1.00 0.00 O ATOM 0 H GLU A 39 10.328 17.992 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 39 7.570 17.131 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.508 15.205 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.471 16.566 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.076 16.012 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.202 14.500 -4.390 1.00 0.00 H new ATOM 617 N ARG A 40 9.440 16.152 -2.387 1.00 0.00 N ATOM 618 CA ARG A 40 9.324 15.388 -1.113 1.00 0.00 C ATOM 619 C ARG A 40 8.098 15.866 -0.338 1.00 0.00 C ATOM 620 O ARG A 40 7.283 15.080 0.090 1.00 0.00 O ATOM 621 CB ARG A 40 10.593 15.581 -0.260 1.00 0.00 C ATOM 622 CG ARG A 40 10.630 16.998 0.352 1.00 0.00 C ATOM 623 CD ARG A 40 12.028 17.304 0.904 1.00 0.00 C ATOM 624 NE ARG A 40 12.246 16.584 2.198 1.00 0.00 N ATOM 625 CZ ARG A 40 11.508 16.791 3.254 1.00 0.00 C ATOM 626 NH1 ARG A 40 10.563 17.701 3.260 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.753 16.098 4.323 1.00 0.00 N ATOM 0 H ARG A 40 10.290 16.704 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 40 9.214 14.328 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.620 14.836 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.478 15.422 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.361 17.735 -0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.892 17.076 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.786 17.003 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.140 18.378 1.054 1.00 0.00 H new ATOM 0 HE ARG A 40 13.003 15.903 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.392 18.265 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.999 17.845 4.097 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.507 15.411 4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.191 16.240 5.163 1.00 0.00 H new ATOM 641 N GLN A 41 7.944 17.148 -0.160 1.00 0.00 N ATOM 642 CA GLN A 41 6.750 17.639 0.583 1.00 0.00 C ATOM 643 C GLN A 41 5.542 17.694 -0.343 1.00 0.00 C ATOM 644 O GLN A 41 4.478 17.205 -0.024 1.00 0.00 O ATOM 645 CB GLN A 41 7.018 19.037 1.175 1.00 0.00 C ATOM 646 CG GLN A 41 7.533 19.986 0.085 1.00 0.00 C ATOM 647 CD GLN A 41 8.036 21.283 0.717 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.345 21.321 1.892 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.137 22.356 -0.024 1.00 0.00 N ATOM 0 H GLN A 41 8.584 17.869 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 41 6.544 16.946 1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.103 19.436 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.750 18.965 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.337 19.508 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.736 20.203 -0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.877 22.321 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.476 23.227 0.384 1.00 0.00 H new ATOM 658 N THR A 42 5.684 18.306 -1.480 1.00 0.00 N ATOM 659 CA THR A 42 4.523 18.418 -2.396 1.00 0.00 C ATOM 660 C THR A 42 4.016 17.043 -2.831 1.00 0.00 C ATOM 661 O THR A 42 2.826 16.830 -2.922 1.00 0.00 O ATOM 662 CB THR A 42 4.949 19.210 -3.633 1.00 0.00 C ATOM 663 OG1 THR A 42 5.496 20.453 -3.218 1.00 0.00 O ATOM 664 CG2 THR A 42 3.740 19.453 -4.537 1.00 0.00 C ATOM 0 H THR A 42 6.549 18.731 -1.813 1.00 0.00 H new ATOM 0 HA THR A 42 3.714 18.924 -1.869 1.00 0.00 H new ATOM 0 HB THR A 42 5.697 18.646 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.457 20.350 -3.058 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.051 20.018 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.321 18.496 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.985 20.018 -3.991 1.00 0.00 H new ATOM 672 N ARG A 43 4.871 16.109 -3.120 1.00 0.00 N ATOM 673 CA ARG A 43 4.343 14.786 -3.561 1.00 0.00 C ATOM 674 C ARG A 43 3.565 14.148 -2.424 1.00 0.00 C ATOM 675 O ARG A 43 2.511 13.586 -2.619 1.00 0.00 O ATOM 676 CB ARG A 43 5.485 13.848 -3.985 1.00 0.00 C ATOM 677 CG ARG A 43 4.941 12.629 -4.758 1.00 0.00 C ATOM 678 CD ARG A 43 4.787 12.957 -6.253 1.00 0.00 C ATOM 679 NE ARG A 43 6.126 13.281 -6.851 1.00 0.00 N ATOM 680 CZ ARG A 43 6.274 13.305 -8.154 1.00 0.00 C ATOM 681 NH1 ARG A 43 5.253 13.042 -8.924 1.00 0.00 N ATOM 682 NH2 ARG A 43 7.440 13.588 -8.688 1.00 0.00 N ATOM 0 H ARG A 43 5.886 16.194 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 43 3.691 14.946 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.194 14.392 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.030 13.510 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.617 11.783 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.977 12.331 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.342 12.110 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.109 13.801 -6.380 1.00 0.00 H new ATOM 0 HE ARG A 43 6.920 13.482 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.347 12.820 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.361 13.059 -9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.240 13.791 -8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.546 13.604 -9.702 1.00 0.00 H new ATOM 696 N PHE A 44 4.089 14.201 -1.235 1.00 0.00 N ATOM 697 CA PHE A 44 3.407 13.567 -0.084 1.00 0.00 C ATOM 698 C PHE A 44 2.011 14.164 0.133 1.00 0.00 C ATOM 699 O PHE A 44 1.040 13.445 0.255 1.00 0.00 O ATOM 700 CB PHE A 44 4.299 13.758 1.147 1.00 0.00 C ATOM 701 CG PHE A 44 5.413 12.720 1.143 1.00 0.00 C ATOM 702 CD1 PHE A 44 6.293 12.630 0.056 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.571 11.860 2.232 1.00 0.00 C ATOM 704 CE1 PHE A 44 7.323 11.681 0.057 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.600 10.909 2.236 1.00 0.00 C ATOM 706 CZ PHE A 44 7.477 10.820 1.147 1.00 0.00 C ATOM 0 H PHE A 44 4.971 14.662 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 44 3.257 12.504 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.725 14.761 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.705 13.664 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.176 13.296 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.898 11.928 3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 44 7.998 11.615 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.717 10.244 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.271 10.087 1.150 1.00 0.00 H new ATOM 716 N GLN A 45 1.889 15.457 0.198 1.00 0.00 N ATOM 717 CA GLN A 45 0.536 16.061 0.419 1.00 0.00 C ATOM 718 C GLN A 45 -0.364 15.884 -0.812 1.00 0.00 C ATOM 719 O GLN A 45 -1.443 15.332 -0.718 1.00 0.00 O ATOM 720 CB GLN A 45 0.677 17.544 0.762 1.00 0.00 C ATOM 721 CG GLN A 45 1.588 18.259 -0.268 1.00 0.00 C ATOM 722 CD GLN A 45 2.398 19.370 0.419 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.092 20.537 0.269 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.432 19.050 1.159 1.00 0.00 N ATOM 0 H GLN A 45 2.657 16.123 0.109 1.00 0.00 H new ATOM 0 HA GLN A 45 0.065 15.541 1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.306 18.015 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.095 17.653 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.264 17.538 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.981 18.683 -1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.687 18.070 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.982 19.781 1.610 1.00 0.00 H new ATOM 733 N ASN A 46 0.051 16.363 -1.960 1.00 0.00 N ATOM 734 CA ASN A 46 -0.805 16.219 -3.181 1.00 0.00 C ATOM 735 C ASN A 46 -1.144 14.740 -3.378 1.00 0.00 C ATOM 736 O ASN A 46 -2.195 14.378 -3.895 1.00 0.00 O ATOM 737 CB ASN A 46 -0.083 16.777 -4.425 1.00 0.00 C ATOM 738 CG ASN A 46 1.102 15.882 -4.818 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.356 14.887 -4.185 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.860 16.200 -5.836 1.00 0.00 N ATOM 0 H ASN A 46 0.939 16.844 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.723 16.790 -3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.784 16.846 -5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.271 17.788 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.653 15.609 -6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.657 17.038 -6.380 1.00 0.00 H new ATOM 747 N ALA A 47 -0.277 13.865 -2.961 1.00 0.00 N ATOM 748 CA ALA A 47 -0.573 12.426 -3.121 1.00 0.00 C ATOM 749 C ALA A 47 -1.522 11.998 -2.004 1.00 0.00 C ATOM 750 O ALA A 47 -2.346 11.118 -2.172 1.00 0.00 O ATOM 751 CB ALA A 47 0.709 11.609 -2.987 1.00 0.00 C ATOM 0 H ALA A 47 0.616 14.085 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.016 12.259 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.480 10.550 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.418 11.916 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.146 11.777 -2.003 1.00 0.00 H new ATOM 757 N CYS A 48 -1.403 12.609 -0.853 1.00 0.00 N ATOM 758 CA CYS A 48 -2.286 12.230 0.285 1.00 0.00 C ATOM 759 C CYS A 48 -3.745 12.636 0.007 1.00 0.00 C ATOM 760 O CYS A 48 -4.659 11.932 0.375 1.00 0.00 O ATOM 761 CB CYS A 48 -1.794 12.875 1.581 1.00 0.00 C ATOM 762 SG CYS A 48 -2.388 14.584 1.710 1.00 0.00 S ATOM 0 H CYS A 48 -0.733 13.352 -0.655 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.248 11.146 0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.144 12.297 2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.704 12.860 1.610 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.220 15.189 0.572 1.00 0.00 H new ATOM 768 N ARG A 49 -3.977 13.757 -0.643 1.00 0.00 N ATOM 769 CA ARG A 49 -5.395 14.154 -0.936 1.00 0.00 C ATOM 770 C ARG A 49 -5.997 13.099 -1.847 1.00 0.00 C ATOM 771 O ARG A 49 -7.116 12.662 -1.659 1.00 0.00 O ATOM 772 CB ARG A 49 -5.444 15.533 -1.605 1.00 0.00 C ATOM 773 CG ARG A 49 -4.420 15.599 -2.729 1.00 0.00 C ATOM 774 CD ARG A 49 -4.450 16.980 -3.379 1.00 0.00 C ATOM 775 NE ARG A 49 -3.797 17.955 -2.468 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.421 19.117 -2.911 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.599 19.436 -4.167 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.859 19.955 -2.094 1.00 0.00 N ATOM 0 H ARG A 49 -3.261 14.402 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.964 14.220 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.443 15.720 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.241 16.311 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.424 15.393 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.634 14.832 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.933 16.956 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.479 17.281 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.643 17.711 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.035 18.771 -4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.301 20.350 -4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.717 19.698 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.559 20.871 -2.429 1.00 0.00 H new ATOM 792 N ASP A 50 -5.226 12.631 -2.785 1.00 0.00 N ATOM 793 CA ASP A 50 -5.692 11.529 -3.670 1.00 0.00 C ATOM 794 C ASP A 50 -4.995 10.290 -3.134 1.00 0.00 C ATOM 795 O ASP A 50 -3.901 9.939 -3.527 1.00 0.00 O ATOM 796 CB ASP A 50 -5.301 11.797 -5.121 1.00 0.00 C ATOM 797 CG ASP A 50 -3.844 12.213 -5.168 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.241 12.266 -4.114 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.355 12.476 -6.253 1.00 0.00 O ATOM 0 H ASP A 50 -4.283 12.968 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.777 11.423 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.457 10.903 -5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.931 12.581 -5.543 1.00 0.00 H new ATOM 804 N GLY A 51 -5.618 9.671 -2.188 1.00 0.00 N ATOM 805 CA GLY A 51 -5.023 8.485 -1.526 1.00 0.00 C ATOM 806 C GLY A 51 -4.888 7.331 -2.504 1.00 0.00 C ATOM 807 O GLY A 51 -4.687 6.202 -2.109 1.00 0.00 O ATOM 0 H GLY A 51 -6.536 9.940 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.044 8.742 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.646 8.183 -0.684 1.00 0.00 H new ATOM 811 N ARG A 52 -4.974 7.597 -3.781 1.00 0.00 N ATOM 812 CA ARG A 52 -4.819 6.493 -4.773 1.00 0.00 C ATOM 813 C ARG A 52 -3.334 6.396 -5.114 1.00 0.00 C ATOM 814 O ARG A 52 -2.884 6.856 -6.142 1.00 0.00 O ATOM 815 CB ARG A 52 -5.593 6.826 -6.048 1.00 0.00 C ATOM 816 CG ARG A 52 -7.078 6.995 -5.747 1.00 0.00 C ATOM 817 CD ARG A 52 -7.811 7.254 -7.067 1.00 0.00 C ATOM 818 NE ARG A 52 -7.788 6.023 -7.904 1.00 0.00 N ATOM 819 CZ ARG A 52 -8.582 5.933 -8.931 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.381 6.925 -9.217 1.00 0.00 N ATOM 821 NH2 ARG A 52 -8.574 4.864 -9.678 1.00 0.00 N ATOM 0 H ARG A 52 -5.143 8.522 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.198 5.557 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.200 7.742 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.453 6.032 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.471 6.101 -5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.233 7.825 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.841 7.552 -6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.338 8.078 -7.601 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.155 5.257 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.380 7.764 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.006 6.861 -10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.943 4.093 -9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.199 4.799 -10.482 1.00 0.00 H new ATOM 835 N SER A 53 -2.580 5.821 -4.229 1.00 0.00 N ATOM 836 CA SER A 53 -1.114 5.701 -4.443 1.00 0.00 C ATOM 837 C SER A 53 -0.761 4.537 -5.352 1.00 0.00 C ATOM 838 O SER A 53 -1.346 3.472 -5.281 1.00 0.00 O ATOM 839 CB SER A 53 -0.426 5.477 -3.106 1.00 0.00 C ATOM 840 OG SER A 53 0.976 5.371 -3.317 1.00 0.00 O ATOM 0 H SER A 53 -2.919 5.423 -3.353 1.00 0.00 H new ATOM 0 HA SER A 53 -0.780 6.625 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.643 6.303 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.805 4.570 -2.635 1.00 0.00 H new ATOM 0 HG SER A 53 1.304 6.185 -3.754 1.00 0.00 H new ATOM 846 N GLU A 54 0.263 4.714 -6.143 1.00 0.00 N ATOM 847 CA GLU A 54 0.763 3.616 -7.007 1.00 0.00 C ATOM 848 C GLU A 54 2.222 3.400 -6.601 1.00 0.00 C ATOM 849 O GLU A 54 2.987 4.336 -6.474 1.00 0.00 O ATOM 850 CB GLU A 54 0.670 4.014 -8.477 1.00 0.00 C ATOM 851 CG GLU A 54 -0.794 4.297 -8.831 1.00 0.00 C ATOM 852 CD GLU A 54 -0.898 4.675 -10.307 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.069 4.459 -11.020 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.940 5.167 -10.701 1.00 0.00 O ATOM 0 H GLU A 54 0.780 5.589 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 54 0.175 2.707 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.280 4.898 -8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.061 3.216 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.405 3.418 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.180 5.105 -8.210 1.00 0.00 H new ATOM 861 N ILE A 55 2.598 2.181 -6.354 1.00 0.00 N ATOM 862 CA ILE A 55 3.994 1.901 -5.903 1.00 0.00 C ATOM 863 C ILE A 55 4.435 0.538 -6.417 1.00 0.00 C ATOM 864 O ILE A 55 3.627 -0.286 -6.793 1.00 0.00 O ATOM 865 CB ILE A 55 4.027 1.924 -4.368 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.357 1.329 -3.857 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.845 1.110 -3.810 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.657 1.777 -2.409 1.00 0.00 C ATOM 0 H ILE A 55 2.000 1.360 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 55 4.674 2.657 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 55 3.947 2.956 -4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.311 0.241 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.171 1.640 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.872 1.129 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.908 1.545 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.917 0.079 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.600 1.340 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.728 2.864 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.854 1.443 -1.751 1.00 0.00 H new ATOM 880 N ALA A 56 5.725 0.298 -6.452 1.00 0.00 N ATOM 881 CA ALA A 56 6.213 -1.033 -6.965 1.00 0.00 C ATOM 882 C ALA A 56 7.405 -1.565 -6.172 1.00 0.00 C ATOM 883 O ALA A 56 8.048 -0.856 -5.419 1.00 0.00 O ATOM 884 CB ALA A 56 6.631 -0.893 -8.434 1.00 0.00 C ATOM 0 H ALA A 56 6.452 0.949 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 56 5.390 -1.739 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.984 -1.855 -8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.776 -0.567 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.431 -0.157 -8.516 1.00 0.00 H new ATOM 890 N PHE A 57 7.707 -2.826 -6.389 1.00 0.00 N ATOM 891 CA PHE A 57 8.876 -3.466 -5.713 1.00 0.00 C ATOM 892 C PHE A 57 10.103 -3.273 -6.607 1.00 0.00 C ATOM 893 O PHE A 57 10.071 -3.603 -7.776 1.00 0.00 O ATOM 894 CB PHE A 57 8.655 -4.986 -5.562 1.00 0.00 C ATOM 895 CG PHE A 57 7.557 -5.286 -4.560 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.745 -4.992 -3.204 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.360 -5.870 -4.988 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.725 -5.278 -2.278 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.349 -6.158 -4.070 1.00 0.00 C ATOM 900 CZ PHE A 57 5.528 -5.864 -2.716 1.00 0.00 C ATOM 0 H PHE A 57 7.186 -3.442 -7.013 1.00 0.00 H new ATOM 0 HA PHE A 57 9.006 -3.015 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.395 -5.416 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.582 -5.460 -5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.670 -4.547 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.218 -6.099 -6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.863 -5.047 -1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.427 -6.609 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.745 -6.088 -2.007 1.00 0.00 H new ATOM 910 N VAL A 58 11.182 -2.756 -6.096 1.00 0.00 N ATOM 911 CA VAL A 58 12.368 -2.587 -6.974 1.00 0.00 C ATOM 912 C VAL A 58 12.830 -3.959 -7.484 1.00 0.00 C ATOM 913 O VAL A 58 13.236 -4.108 -8.617 1.00 0.00 O ATOM 914 CB VAL A 58 13.505 -1.927 -6.196 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.726 -1.752 -7.111 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.026 -0.566 -5.686 1.00 0.00 C ATOM 0 H VAL A 58 11.294 -2.449 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 58 12.097 -1.954 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 58 13.792 -2.553 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.535 -1.281 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.054 -2.727 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.457 -1.123 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.829 -0.083 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.744 0.061 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.164 -0.705 -5.034 1.00 0.00 H new ATOM 926 N ALA A 59 12.798 -4.953 -6.636 1.00 0.00 N ATOM 927 CA ALA A 59 13.265 -6.311 -7.052 1.00 0.00 C ATOM 928 C ALA A 59 12.462 -6.849 -8.240 1.00 0.00 C ATOM 929 O ALA A 59 13.011 -7.467 -9.135 1.00 0.00 O ATOM 930 CB ALA A 59 13.107 -7.290 -5.882 1.00 0.00 C ATOM 0 H ALA A 59 12.469 -4.885 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 59 14.310 -6.221 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.448 -8.279 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.703 -6.946 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.058 -7.342 -5.590 1.00 0.00 H new ATOM 936 N THR A 60 11.170 -6.652 -8.244 1.00 0.00 N ATOM 937 CA THR A 60 10.312 -7.185 -9.353 1.00 0.00 C ATOM 938 C THR A 60 9.596 -6.035 -10.077 1.00 0.00 C ATOM 939 O THR A 60 9.267 -5.026 -9.490 1.00 0.00 O ATOM 940 CB THR A 60 9.281 -8.144 -8.742 1.00 0.00 C ATOM 941 OG1 THR A 60 9.959 -9.111 -7.946 1.00 0.00 O ATOM 942 CG2 THR A 60 8.515 -8.854 -9.859 1.00 0.00 C ATOM 0 H THR A 60 10.664 -6.140 -7.521 1.00 0.00 H new ATOM 0 HA THR A 60 10.931 -7.709 -10.081 1.00 0.00 H new ATOM 0 HB THR A 60 8.580 -7.582 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.900 -8.857 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.784 -9.534 -9.423 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.002 -8.115 -10.475 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.213 -9.419 -10.477 1.00 0.00 H new ATOM 950 N GLY A 61 9.348 -6.186 -11.357 1.00 0.00 N ATOM 951 CA GLY A 61 8.648 -5.107 -12.113 1.00 0.00 C ATOM 952 C GLY A 61 7.170 -5.120 -11.717 1.00 0.00 C ATOM 953 O GLY A 61 6.352 -4.433 -12.294 1.00 0.00 O ATOM 0 H GLY A 61 9.600 -7.008 -11.906 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.092 -4.137 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.754 -5.266 -13.186 1.00 0.00 H new ATOM 957 N THR A 62 6.832 -5.906 -10.726 1.00 0.00 N ATOM 958 CA THR A 62 5.415 -5.987 -10.266 1.00 0.00 C ATOM 959 C THR A 62 5.015 -4.648 -9.618 1.00 0.00 C ATOM 960 O THR A 62 5.793 -4.035 -8.920 1.00 0.00 O ATOM 961 CB THR A 62 5.285 -7.130 -9.244 1.00 0.00 C ATOM 962 OG1 THR A 62 5.664 -8.362 -9.839 1.00 0.00 O ATOM 963 CG2 THR A 62 3.846 -7.235 -8.747 1.00 0.00 C ATOM 0 H THR A 62 7.484 -6.499 -10.213 1.00 0.00 H new ATOM 0 HA THR A 62 4.756 -6.184 -11.111 1.00 0.00 H new ATOM 0 HB THR A 62 5.943 -6.915 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.580 -9.083 -9.181 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.769 -8.048 -8.025 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.556 -6.298 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.184 -7.434 -9.589 1.00 0.00 H new ATOM 971 N ASN A 63 3.805 -4.184 -9.863 1.00 0.00 N ATOM 972 CA ASN A 63 3.357 -2.876 -9.283 1.00 0.00 C ATOM 973 C ASN A 63 1.918 -2.993 -8.760 1.00 0.00 C ATOM 974 O ASN A 63 1.010 -3.340 -9.490 1.00 0.00 O ATOM 975 CB ASN A 63 3.402 -1.821 -10.385 1.00 0.00 C ATOM 976 CG ASN A 63 2.989 -0.467 -9.813 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.790 0.441 -9.741 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.764 -0.301 -9.395 1.00 0.00 N ATOM 0 H ASN A 63 3.111 -4.658 -10.441 1.00 0.00 H new ATOM 0 HA ASN A 63 4.012 -2.599 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.407 -1.760 -10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.734 -2.102 -11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.475 0.596 -9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.095 -1.068 -9.458 1.00 0.00 H new ATOM 985 N LEU A 64 1.706 -2.699 -7.500 1.00 0.00 N ATOM 986 CA LEU A 64 0.335 -2.797 -6.909 1.00 0.00 C ATOM 987 C LEU A 64 -0.229 -1.403 -6.646 1.00 0.00 C ATOM 988 O LEU A 64 0.448 -0.520 -6.156 1.00 0.00 O ATOM 989 CB LEU A 64 0.402 -3.562 -5.579 1.00 0.00 C ATOM 990 CG LEU A 64 0.641 -5.064 -5.829 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.120 -5.331 -6.105 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.206 -5.865 -4.599 1.00 0.00 C ATOM 0 H LEU A 64 2.431 -2.393 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.311 -3.323 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.204 -3.158 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.527 -3.423 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 64 0.057 -5.370 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.271 -6.396 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.432 -4.771 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.713 -5.016 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.376 -6.927 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.786 -5.545 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.854 -5.694 -4.409 1.00 0.00 H new ATOM 1004 N SER A 65 -1.480 -1.215 -6.965 1.00 0.00 N ATOM 1005 CA SER A 65 -2.144 0.106 -6.740 1.00 0.00 C ATOM 1006 C SER A 65 -3.146 -0.052 -5.603 1.00 0.00 C ATOM 1007 O SER A 65 -3.845 -1.043 -5.530 1.00 0.00 O ATOM 1008 CB SER A 65 -2.901 0.502 -8.005 1.00 0.00 C ATOM 1009 OG SER A 65 -1.987 0.585 -9.090 1.00 0.00 O ATOM 0 H SER A 65 -2.081 -1.929 -7.378 1.00 0.00 H new ATOM 0 HA SER A 65 -1.402 0.867 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.677 -0.231 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.400 1.460 -7.860 1.00 0.00 H new ATOM 0 HG SER A 65 -2.469 0.837 -9.905 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.230 0.905 -4.709 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.209 0.770 -3.576 1.00 0.00 C ATOM 1017 C LEU A 66 -4.814 2.133 -3.200 1.00 0.00 C ATOM 1018 O LEU A 66 -4.271 3.184 -3.504 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.516 0.150 -2.347 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.103 0.737 -2.161 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.609 0.396 -0.747 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.112 0.168 -3.212 1.00 0.00 C ATOM 0 H LEU A 66 -2.675 1.761 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.016 0.115 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.113 0.337 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.452 -0.932 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.151 1.817 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.609 0.806 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.288 0.826 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.579 -0.687 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.125 0.602 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.053 -0.915 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.461 0.417 -4.214 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.952 2.109 -2.529 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.638 3.379 -2.119 1.00 0.00 C ATOM 1036 C GLN A 67 -7.041 3.303 -0.639 1.00 0.00 C ATOM 1037 O GLN A 67 -7.850 2.483 -0.250 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.921 3.518 -2.942 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.605 3.343 -4.427 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.830 3.719 -5.264 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -8.736 3.863 -6.467 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -9.984 3.879 -4.679 1.00 0.00 N ATOM 0 H GLN A 67 -6.434 1.255 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.965 4.221 -2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.650 2.772 -2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.371 4.496 -2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.757 3.969 -4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.318 2.311 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.065 3.759 -3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.806 4.125 -5.231 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.498 4.157 0.191 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.859 4.143 1.650 1.00 0.00 C ATOM 1053 C PHE A 68 -7.974 5.166 1.941 1.00 0.00 C ATOM 1054 O PHE A 68 -9.114 4.805 2.148 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.599 4.450 2.488 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.648 5.286 1.670 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.965 4.687 0.609 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.451 6.643 1.955 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.087 5.431 -0.174 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.564 7.393 1.169 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.882 6.782 0.101 1.00 0.00 C ATOM 0 H PHE A 68 -5.817 4.868 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.235 3.156 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.875 4.980 3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.116 3.522 2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.119 3.640 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.978 7.109 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.565 4.962 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.405 8.439 1.384 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.200 7.359 -0.505 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.649 6.435 1.956 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.673 7.488 2.239 1.00 0.00 C ATOM 1073 C PHE A 69 -8.432 8.680 1.314 1.00 0.00 C ATOM 1074 O PHE A 69 -7.876 9.677 1.723 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.523 7.953 3.690 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.480 9.094 3.966 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.861 8.906 3.820 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -8.984 10.351 4.349 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.740 9.969 4.053 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -9.867 11.410 4.585 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.242 11.219 4.434 1.00 0.00 C ATOM 0 H PHE A 69 -6.709 6.790 1.783 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.672 7.084 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.725 7.125 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.498 8.274 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.247 7.941 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.920 10.500 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.804 9.824 3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.485 12.375 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.922 12.039 4.612 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.845 8.582 0.078 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.672 9.672 -0.919 1.00 0.00 C ATOM 1093 C PRO A 70 -9.846 10.659 -0.912 1.00 0.00 C ATOM 1094 O PRO A 70 -10.990 10.272 -0.801 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.614 8.892 -2.231 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.574 7.763 -2.029 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.520 7.418 -0.524 1.00 0.00 C ATOM 0 HA PRO A 70 -7.797 10.294 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.904 9.514 -3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.607 8.527 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.582 8.051 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.296 6.902 -2.636 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.518 7.276 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.966 6.497 -0.344 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.581 11.934 -1.018 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.704 12.907 -1.002 1.00 0.00 C ATOM 1107 C ALA A 71 -11.659 12.579 -2.152 1.00 0.00 C ATOM 1108 O ALA A 71 -12.849 12.418 -1.955 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.138 14.329 -1.149 1.00 0.00 C ATOM 0 H ALA A 71 -8.649 12.337 -1.114 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.252 12.846 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.956 15.049 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.460 14.538 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.596 14.409 -2.091 1.00 0.00 H new ATOM 1115 N SER A 72 -11.141 12.443 -3.339 1.00 0.00 N ATOM 1116 CA SER A 72 -11.999 12.084 -4.504 1.00 0.00 C ATOM 1117 C SER A 72 -11.142 12.052 -5.769 1.00 0.00 C ATOM 1118 O SER A 72 -10.117 12.700 -5.844 1.00 0.00 O ATOM 1119 CB SER A 72 -13.113 13.111 -4.681 1.00 0.00 C ATOM 1120 OG SER A 72 -13.626 13.011 -6.000 1.00 0.00 O ATOM 0 H SER A 72 -10.152 12.566 -3.555 1.00 0.00 H new ATOM 0 HA SER A 72 -12.444 11.105 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.906 12.936 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.731 14.116 -4.500 1.00 0.00 H new ATOM 0 HG SER A 72 -14.579 12.787 -5.964 1.00 0.00 H new ATOM 1126 N TRP A 73 -11.552 11.322 -6.775 1.00 0.00 N ATOM 1127 CA TRP A 73 -10.740 11.288 -8.030 1.00 0.00 C ATOM 1128 C TRP A 73 -11.091 12.508 -8.897 1.00 0.00 C ATOM 1129 O TRP A 73 -10.394 13.500 -8.892 1.00 0.00 O ATOM 1130 CB TRP A 73 -11.055 9.987 -8.787 1.00 0.00 C ATOM 1131 CG TRP A 73 -10.188 9.835 -10.006 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -8.851 10.080 -10.068 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -10.574 9.358 -11.332 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -8.407 9.802 -11.346 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -9.428 9.354 -12.162 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -11.802 8.941 -11.896 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -9.493 8.950 -13.499 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -11.867 8.536 -13.243 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -10.717 8.539 -14.042 1.00 0.00 C ATOM 0 H TRP A 73 -12.400 10.756 -6.784 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.676 11.320 -7.794 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.906 9.134 -8.125 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.104 9.982 -9.082 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -8.238 10.434 -9.252 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -7.440 9.914 -11.651 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -12.696 8.933 -11.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.603 8.955 -14.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -12.811 8.221 -13.663 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.774 8.225 -15.074 1.00 0.00 H new ATOM 1150 N GLN A 74 -12.169 12.436 -9.627 1.00 0.00 N ATOM 1151 CA GLN A 74 -12.586 13.584 -10.494 1.00 0.00 C ATOM 1152 C GLN A 74 -13.563 14.501 -9.755 1.00 0.00 C ATOM 1153 O GLN A 74 -14.178 15.362 -10.352 1.00 0.00 O ATOM 1154 CB GLN A 74 -13.273 13.047 -11.752 1.00 0.00 C ATOM 1155 CG GLN A 74 -12.269 12.283 -12.621 1.00 0.00 C ATOM 1156 CD GLN A 74 -11.176 13.227 -13.131 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -10.076 12.799 -13.414 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -11.430 14.502 -13.247 1.00 0.00 N ATOM 0 H GLN A 74 -12.787 11.626 -9.663 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.695 14.154 -10.758 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.096 12.390 -11.472 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.702 13.872 -12.320 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.820 11.475 -12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.784 11.824 -13.465 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.354 14.862 -13.009 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.704 15.139 -13.576 1.00 0.00 H new ATOM 1167 N GLY A 75 -13.746 14.321 -8.477 1.00 0.00 N ATOM 1168 CA GLY A 75 -14.711 15.188 -7.755 1.00 0.00 C ATOM 1169 C GLY A 75 -14.130 16.582 -7.579 1.00 0.00 C ATOM 1170 O GLY A 75 -12.938 16.769 -7.421 1.00 0.00 O ATOM 0 H GLY A 75 -13.274 13.618 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.648 15.243 -8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.942 14.756 -6.781 1.00 0.00 H new ATOM 1174 N GLU A 76 -14.987 17.558 -7.600 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.562 18.975 -7.430 1.00 0.00 C ATOM 1176 C GLU A 76 -14.724 19.378 -5.957 1.00 0.00 C ATOM 1177 O GLU A 76 -14.756 20.547 -5.624 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.441 19.864 -8.317 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.878 19.886 -7.785 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.797 20.561 -8.807 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.423 21.608 -9.313 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.855 20.016 -9.070 1.00 0.00 O ATOM 0 H GLU A 76 -15.991 17.432 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.518 19.093 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.039 20.877 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.430 19.492 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.219 18.869 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.917 20.422 -6.837 1.00 0.00 H new ATOM 1189 N GLN A 77 -14.851 18.414 -5.079 1.00 0.00 N ATOM 1190 CA GLN A 77 -15.038 18.724 -3.627 1.00 0.00 C ATOM 1191 C GLN A 77 -13.856 19.534 -3.104 1.00 0.00 C ATOM 1192 O GLN A 77 -13.273 20.329 -3.813 1.00 0.00 O ATOM 1193 CB GLN A 77 -15.176 17.415 -2.837 1.00 0.00 C ATOM 1194 CG GLN A 77 -13.894 16.581 -2.938 1.00 0.00 C ATOM 1195 CD GLN A 77 -14.101 15.282 -2.166 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -15.033 14.549 -2.425 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -13.270 14.967 -1.214 1.00 0.00 N ATOM 0 H GLN A 77 -14.833 17.420 -5.307 1.00 0.00 H new ATOM 0 HA GLN A 77 -15.945 19.316 -3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -15.390 17.637 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -16.020 16.841 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.661 16.369 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.049 17.134 -2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.487 15.583 -0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.402 14.104 -0.686 1.00 0.00 H new ATOM 1206 N ARG A 78 -13.511 19.371 -1.863 1.00 0.00 N ATOM 1207 CA ARG A 78 -12.386 20.169 -1.298 1.00 0.00 C ATOM 1208 C ARG A 78 -11.071 19.406 -1.459 1.00 0.00 C ATOM 1209 O ARG A 78 -10.994 18.209 -1.251 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.666 20.415 0.185 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.856 21.381 0.321 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.429 21.310 1.743 1.00 0.00 C ATOM 1213 NE ARG A 78 -13.487 21.949 2.710 1.00 0.00 N ATOM 1214 CZ ARG A 78 -13.879 22.221 3.930 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.093 21.933 4.317 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -13.060 22.798 4.768 1.00 0.00 N ATOM 0 H ARG A 78 -13.955 18.722 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.301 21.119 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.887 19.473 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.784 20.835 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.536 22.399 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.628 21.125 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.396 21.813 1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.600 20.270 2.023 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.536 22.174 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.744 21.493 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.389 22.148 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.113 23.038 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.367 23.009 5.718 1.00 0.00 H new ATOM 1230 N GLN A 79 -10.037 20.103 -1.841 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.706 19.452 -2.030 1.00 0.00 C ATOM 1232 C GLN A 79 -7.980 19.373 -0.682 1.00 0.00 C ATOM 1233 O GLN A 79 -6.777 19.533 -0.602 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.869 20.263 -3.038 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.148 21.760 -2.865 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.422 22.139 -3.631 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.513 21.914 -4.823 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.412 22.700 -2.994 1.00 0.00 N ATOM 0 H GLN A 79 -10.055 21.105 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.845 18.443 -2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.808 20.062 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.110 19.955 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.263 21.999 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.303 22.342 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.334 22.888 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.264 22.951 -3.495 1.00 0.00 H new ATOM 1247 N THR A 80 -8.695 19.123 0.378 1.00 0.00 N ATOM 1248 CA THR A 80 -8.028 19.033 1.702 1.00 0.00 C ATOM 1249 C THR A 80 -7.246 17.711 1.764 1.00 0.00 C ATOM 1250 O THR A 80 -7.698 16.703 1.255 1.00 0.00 O ATOM 1251 CB THR A 80 -9.084 19.086 2.816 1.00 0.00 C ATOM 1252 OG1 THR A 80 -8.441 19.002 4.075 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.079 17.930 2.672 1.00 0.00 C ATOM 0 H THR A 80 -9.705 18.978 0.384 1.00 0.00 H new ATOM 0 HA THR A 80 -7.342 19.869 1.839 1.00 0.00 H new ATOM 0 HB THR A 80 -9.630 20.026 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.112 19.037 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.819 17.985 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.581 18.000 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.546 16.981 2.736 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.073 17.699 2.351 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.245 16.458 2.424 1.00 0.00 C ATOM 1263 C PRO A 81 -5.861 15.426 3.364 1.00 0.00 C ATOM 1264 O PRO A 81 -6.836 15.684 4.039 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.889 16.950 2.954 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.214 18.184 3.736 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.401 18.834 3.020 1.00 0.00 C ATOM 0 HA PRO A 81 -5.165 15.956 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.412 16.197 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.200 17.168 2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.467 17.938 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.360 18.861 3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.067 19.335 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.073 19.585 2.301 1.00 0.00 H new ATOM 1275 N SER A 82 -5.291 14.254 3.415 1.00 0.00 N ATOM 1276 CA SER A 82 -5.828 13.201 4.320 1.00 0.00 C ATOM 1277 C SER A 82 -5.224 13.403 5.703 1.00 0.00 C ATOM 1278 O SER A 82 -4.036 13.239 5.901 1.00 0.00 O ATOM 1279 CB SER A 82 -5.441 11.821 3.774 1.00 0.00 C ATOM 1280 OG SER A 82 -5.429 10.873 4.837 1.00 0.00 O ATOM 0 H SER A 82 -4.475 13.980 2.868 1.00 0.00 H new ATOM 0 HA SER A 82 -6.914 13.265 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.149 11.511 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.459 11.867 3.303 1.00 0.00 H new ATOM 0 HG SER A 82 -5.183 9.992 4.486 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.023 13.777 6.657 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.476 14.000 8.024 1.00 0.00 C ATOM 1288 C ARG A 83 -4.847 12.712 8.516 1.00 0.00 C ATOM 1289 O ARG A 83 -3.858 12.709 9.222 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.593 14.424 8.975 1.00 0.00 C ATOM 1291 CG ARG A 83 -5.984 14.797 10.331 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.089 15.268 11.286 1.00 0.00 C ATOM 1293 NE ARG A 83 -6.484 15.801 12.553 1.00 0.00 N ATOM 1294 CZ ARG A 83 -5.630 15.108 13.253 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -5.484 13.832 13.040 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -4.970 15.684 14.224 1.00 0.00 N ATOM 0 H ARG A 83 -7.025 13.938 6.554 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.727 14.791 7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.137 15.273 8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.312 13.613 9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.466 13.937 10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.242 15.585 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.689 16.042 10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.760 14.440 11.515 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.749 16.732 12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.040 13.368 12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.814 13.296 13.592 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.125 16.671 14.431 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.301 15.146 14.775 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.422 11.611 8.131 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.882 10.291 8.539 1.00 0.00 C ATOM 1312 C GLU A 84 -3.422 10.170 8.086 1.00 0.00 C ATOM 1313 O GLU A 84 -2.637 9.472 8.691 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.729 9.184 7.895 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.137 9.206 8.509 1.00 0.00 C ATOM 1316 CD GLU A 84 -8.004 8.115 7.889 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.553 7.489 6.942 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.114 7.925 8.368 1.00 0.00 O ATOM 0 H GLU A 84 -6.254 11.570 7.543 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.922 10.192 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.787 9.334 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.263 8.212 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.073 9.060 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.596 10.181 8.346 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.047 10.824 7.008 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.630 10.712 6.532 1.00 0.00 C ATOM 1327 C TYR A 85 -0.707 11.484 7.480 1.00 0.00 C ATOM 1328 O TYR A 85 0.391 11.054 7.782 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.528 11.199 5.046 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.684 12.465 4.841 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.707 12.436 5.031 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.298 13.656 4.405 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.473 13.592 4.789 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.527 14.807 4.167 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.857 14.774 4.358 1.00 0.00 C ATOM 1336 OH TYR A 85 1.622 15.910 4.127 1.00 0.00 O ATOM 0 H TYR A 85 -3.652 11.422 6.445 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.305 9.672 6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.105 10.395 4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.534 11.385 4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.189 11.528 5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.367 13.685 4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.543 13.567 4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.005 15.717 3.836 1.00 0.00 H new ATOM 0 HH TYR A 85 1.040 16.642 3.832 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.150 12.605 7.970 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.307 13.412 8.903 1.00 0.00 C ATOM 1348 C VAL A 86 -0.499 12.956 10.352 1.00 0.00 C ATOM 1349 O VAL A 86 0.051 13.540 11.269 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.689 14.897 8.751 1.00 0.00 C ATOM 1351 CG1 VAL A 86 -0.001 15.742 9.840 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.281 15.407 7.341 1.00 0.00 C ATOM 0 H VAL A 86 -2.066 13.003 7.765 1.00 0.00 H new ATOM 0 HA VAL A 86 0.744 13.271 8.653 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.768 14.995 8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.281 16.789 9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.315 15.394 10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.081 15.643 9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.554 16.457 7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.796 15.298 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.798 14.823 6.579 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.243 11.908 10.573 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.434 11.406 11.973 1.00 0.00 C ATOM 1364 C ASP A 87 -0.420 10.285 12.218 1.00 0.00 C ATOM 1365 O ASP A 87 -0.303 9.760 13.311 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.880 10.900 12.154 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.066 9.487 11.579 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.172 9.008 10.913 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.112 8.911 11.819 1.00 0.00 O ATOM 0 H ASP A 87 -1.728 11.375 9.851 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.271 12.205 12.696 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.134 10.898 13.214 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.570 11.586 11.662 1.00 0.00 H new ATOM 1374 N LEU A 88 0.335 9.939 11.194 1.00 0.00 N ATOM 1375 CA LEU A 88 1.378 8.871 11.331 1.00 0.00 C ATOM 1376 C LEU A 88 2.717 9.462 10.909 1.00 0.00 C ATOM 1377 O LEU A 88 3.758 8.863 11.086 1.00 0.00 O ATOM 1378 CB LEU A 88 1.039 7.626 10.480 1.00 0.00 C ATOM 1379 CG LEU A 88 0.272 7.995 9.195 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.244 8.456 8.108 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.474 6.753 8.701 1.00 0.00 C ATOM 0 H LEU A 88 0.270 10.356 10.265 1.00 0.00 H new ATOM 0 HA LEU A 88 1.419 8.538 12.368 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.960 7.106 10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.441 6.934 11.073 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.426 8.804 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.687 8.713 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.792 9.331 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.946 7.653 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.023 6.996 7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.242 5.958 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.173 6.419 9.468 1.00 0.00 H new ATOM 1393 N GLU A 89 2.704 10.658 10.393 1.00 0.00 N ATOM 1394 CA GLU A 89 3.977 11.310 10.007 1.00 0.00 C ATOM 1395 C GLU A 89 4.501 11.988 11.265 1.00 0.00 C ATOM 1396 O GLU A 89 5.681 12.176 11.452 1.00 0.00 O ATOM 1397 CB GLU A 89 3.703 12.330 8.877 1.00 0.00 C ATOM 1398 CG GLU A 89 3.350 13.729 9.427 1.00 0.00 C ATOM 1399 CD GLU A 89 2.960 14.658 8.270 1.00 0.00 C ATOM 1400 OE1 GLU A 89 2.981 14.207 7.142 1.00 0.00 O ATOM 1401 OE2 GLU A 89 2.661 15.810 8.532 1.00 0.00 O ATOM 0 H GLU A 89 1.863 11.210 10.223 1.00 0.00 H new ATOM 0 HA GLU A 89 4.714 10.602 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.582 12.404 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.884 11.969 8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.527 13.653 10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.201 14.143 9.967 1.00 0.00 H new ATOM 1408 N ARG A 90 3.601 12.326 12.141 1.00 0.00 N ATOM 1409 CA ARG A 90 3.989 12.969 13.424 1.00 0.00 C ATOM 1410 C ARG A 90 4.842 11.991 14.231 1.00 0.00 C ATOM 1411 O ARG A 90 5.655 12.377 15.049 1.00 0.00 O ATOM 1412 CB ARG A 90 2.730 13.349 14.222 1.00 0.00 C ATOM 1413 CG ARG A 90 3.106 14.226 15.437 1.00 0.00 C ATOM 1414 CD ARG A 90 3.250 15.703 15.022 1.00 0.00 C ATOM 1415 NE ARG A 90 1.922 16.375 15.113 1.00 0.00 N ATOM 1416 CZ ARG A 90 1.851 17.675 15.037 1.00 0.00 C ATOM 1417 NH1 ARG A 90 2.944 18.365 14.858 1.00 0.00 N ATOM 1418 NH2 ARG A 90 0.697 18.284 15.116 1.00 0.00 N ATOM 0 H ARG A 90 2.598 12.182 12.021 1.00 0.00 H new ATOM 0 HA ARG A 90 4.561 13.875 13.222 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.033 13.887 13.579 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.220 12.447 14.561 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.342 14.133 16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.041 13.873 15.871 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.969 16.205 15.669 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.635 15.770 14.004 1.00 0.00 H new ATOM 0 HE ARG A 90 1.074 15.821 15.234 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.842 17.887 14.779 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.901 19.382 14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.158 17.742 15.238 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.652 19.301 15.055 1.00 0.00 H new ATOM 1432 N GLU A 91 4.614 10.724 14.051 1.00 0.00 N ATOM 1433 CA GLU A 91 5.363 9.703 14.852 1.00 0.00 C ATOM 1434 C GLU A 91 6.812 9.502 14.347 1.00 0.00 C ATOM 1435 O GLU A 91 7.678 10.322 14.580 1.00 0.00 O ATOM 1436 CB GLU A 91 4.592 8.383 14.778 1.00 0.00 C ATOM 1437 CG GLU A 91 5.157 7.389 15.798 1.00 0.00 C ATOM 1438 CD GLU A 91 4.761 7.835 17.209 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.647 8.308 17.366 1.00 0.00 O ATOM 1440 OE2 GLU A 91 5.575 7.690 18.107 1.00 0.00 O ATOM 0 H GLU A 91 3.942 10.344 13.385 1.00 0.00 H new ATOM 0 HA GLU A 91 5.439 10.055 15.881 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.535 8.558 14.976 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.664 7.966 13.773 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.774 6.388 15.599 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.242 7.338 15.711 1.00 0.00 H new ATOM 1447 N ALA A 92 7.087 8.398 13.699 1.00 0.00 N ATOM 1448 CA ALA A 92 8.473 8.110 13.213 1.00 0.00 C ATOM 1449 C ALA A 92 8.967 9.190 12.246 1.00 0.00 C ATOM 1450 O ALA A 92 10.107 9.165 11.826 1.00 0.00 O ATOM 1451 CB ALA A 92 8.478 6.761 12.491 1.00 0.00 C ATOM 0 H ALA A 92 6.402 7.674 13.483 1.00 0.00 H new ATOM 0 HA ALA A 92 9.138 8.092 14.076 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.484 6.543 12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.161 5.978 13.180 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.793 6.799 11.644 1.00 0.00 H new ATOM 1457 N GLY A 93 8.129 10.111 11.865 1.00 0.00 N ATOM 1458 CA GLY A 93 8.578 11.162 10.901 1.00 0.00 C ATOM 1459 C GLY A 93 8.532 10.558 9.506 1.00 0.00 C ATOM 1460 O GLY A 93 9.172 11.033 8.589 1.00 0.00 O ATOM 0 H GLY A 93 7.160 10.185 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.931 12.037 10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.588 11.495 11.141 1.00 0.00 H new ATOM 1464 N LYS A 94 7.785 9.501 9.357 1.00 0.00 N ATOM 1465 CA LYS A 94 7.676 8.814 8.044 1.00 0.00 C ATOM 1466 C LYS A 94 6.201 8.681 7.700 1.00 0.00 C ATOM 1467 O LYS A 94 5.358 8.624 8.575 1.00 0.00 O ATOM 1468 CB LYS A 94 8.265 7.395 8.173 1.00 0.00 C ATOM 1469 CG LYS A 94 9.643 7.449 8.829 1.00 0.00 C ATOM 1470 CD LYS A 94 10.315 6.076 8.720 1.00 0.00 C ATOM 1471 CE LYS A 94 11.673 6.109 9.428 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.605 7.003 8.683 1.00 0.00 N ATOM 0 H LYS A 94 7.236 9.078 10.105 1.00 0.00 H new ATOM 0 HA LYS A 94 8.208 9.378 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.597 6.770 8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.342 6.935 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.259 8.207 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.548 7.737 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.679 5.312 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.447 5.807 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.552 6.465 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.088 5.103 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.587 6.752 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.452 6.890 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.427 7.992 8.952 1.00 0.00 H new ATOM 1486 N VAL A 95 5.878 8.596 6.441 1.00 0.00 N ATOM 1487 CA VAL A 95 4.455 8.430 6.022 1.00 0.00 C ATOM 1488 C VAL A 95 4.277 7.037 5.431 1.00 0.00 C ATOM 1489 O VAL A 95 4.931 6.685 4.464 1.00 0.00 O ATOM 1490 CB VAL A 95 4.125 9.473 4.953 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.677 9.287 4.495 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.309 10.887 5.531 1.00 0.00 C ATOM 0 H VAL A 95 6.547 8.635 5.672 1.00 0.00 H new ATOM 0 HA VAL A 95 3.795 8.559 6.880 1.00 0.00 H new ATOM 0 HB VAL A 95 4.795 9.346 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.438 10.029 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.552 8.287 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.007 9.412 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.073 11.626 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.643 11.021 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.342 11.016 5.854 1.00 0.00 H new ATOM 1502 N TYR A 96 3.392 6.244 5.982 1.00 0.00 N ATOM 1503 CA TYR A 96 3.177 4.869 5.427 1.00 0.00 C ATOM 1504 C TYR A 96 1.699 4.533 5.360 1.00 0.00 C ATOM 1505 O TYR A 96 0.877 5.135 6.024 1.00 0.00 O ATOM 1506 CB TYR A 96 3.922 3.848 6.282 1.00 0.00 C ATOM 1507 CG TYR A 96 3.321 3.686 7.656 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.678 4.570 8.676 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.461 2.610 7.923 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.168 4.393 9.967 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.956 2.422 9.212 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.306 3.312 10.239 1.00 0.00 C ATOM 1513 OH TYR A 96 1.808 3.127 11.514 1.00 0.00 O ATOM 0 H TYR A 96 2.812 6.485 6.786 1.00 0.00 H new ATOM 0 HA TYR A 96 3.570 4.838 4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.919 2.884 5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.964 4.154 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.348 5.391 8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.189 1.927 7.132 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.435 5.084 10.753 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.296 1.592 9.418 1.00 0.00 H new ATOM 0 HH TYR A 96 1.229 2.336 11.528 1.00 0.00 H new ATOM 1523 N LEU A 97 1.358 3.575 4.526 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.071 3.178 4.359 1.00 0.00 C ATOM 1525 C LEU A 97 -0.193 1.640 4.417 1.00 0.00 C ATOM 1526 O LEU A 97 0.695 0.913 3.994 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.590 3.700 2.992 1.00 0.00 C ATOM 1528 CG LEU A 97 0.557 3.767 1.943 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.005 3.562 0.532 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.248 5.139 1.975 1.00 0.00 C ATOM 0 H LEU A 97 2.018 3.050 3.952 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.668 3.611 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.382 3.046 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.027 4.690 3.120 1.00 0.00 H new ATOM 0 HG LEU A 97 1.273 2.983 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.807 3.611 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.488 2.587 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.734 4.342 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.046 5.162 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.520 5.918 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.668 5.312 2.966 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.297 1.151 4.937 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.520 -0.328 5.039 1.00 0.00 C ATOM 1544 C LYS A 98 -2.916 -0.653 4.487 1.00 0.00 C ATOM 1545 O LYS A 98 -3.861 0.076 4.723 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.388 -0.734 6.523 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.617 -0.263 7.315 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.380 -0.444 8.830 1.00 0.00 C ATOM 1549 CE LYS A 98 -1.250 0.473 9.331 1.00 0.00 C ATOM 1550 NZ LYS A 98 -1.525 0.869 10.748 1.00 0.00 N ATOM 0 H LYS A 98 -2.061 1.722 5.299 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.785 -0.886 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.288 -1.816 6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.484 -0.298 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.820 0.785 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.496 -0.830 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.299 -0.223 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.128 -1.484 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.292 -0.042 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.179 1.360 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.763 1.489 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.432 1.376 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.572 0.018 11.344 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.064 -1.720 3.721 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.420 -2.025 3.156 1.00 0.00 C ATOM 1566 C ALA A 99 -4.549 -3.514 2.760 1.00 0.00 C ATOM 1567 O ALA A 99 -3.640 -4.073 2.183 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.633 -1.166 1.909 1.00 0.00 C ATOM 0 H ALA A 99 -2.323 -2.374 3.470 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.168 -1.808 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.615 -1.376 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.572 -0.112 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.864 -1.397 1.172 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.687 -4.145 3.016 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.938 -5.567 2.622 1.00 0.00 C ATOM 1576 C PRO A 100 -6.513 -5.652 1.195 1.00 0.00 C ATOM 1577 O PRO A 100 -7.686 -5.420 0.975 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.982 -6.010 3.641 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.823 -4.791 3.835 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.867 -3.592 3.727 1.00 0.00 C ATOM 0 HA PRO A 100 -5.036 -6.179 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.572 -6.849 3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.520 -6.331 4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.607 -4.734 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.317 -4.809 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.318 -2.769 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.597 -3.205 4.710 1.00 0.00 H new ATOM 1588 N MET A 101 -5.688 -5.958 0.224 1.00 0.00 N ATOM 1589 CA MET A 101 -6.182 -6.027 -1.201 1.00 0.00 C ATOM 1590 C MET A 101 -6.398 -7.487 -1.643 1.00 0.00 C ATOM 1591 O MET A 101 -5.502 -8.299 -1.567 1.00 0.00 O ATOM 1592 CB MET A 101 -5.123 -5.368 -2.102 1.00 0.00 C ATOM 1593 CG MET A 101 -5.630 -5.285 -3.547 1.00 0.00 C ATOM 1594 SD MET A 101 -6.974 -4.070 -3.655 1.00 0.00 S ATOM 1595 CE MET A 101 -5.988 -2.548 -3.546 1.00 0.00 C ATOM 0 H MET A 101 -4.697 -6.163 0.348 1.00 0.00 H new ATOM 0 HA MET A 101 -7.138 -5.510 -1.279 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.892 -4.369 -1.733 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.197 -5.942 -2.067 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.815 -5.000 -4.213 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.983 -6.263 -3.875 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.288 -1.982 -2.664 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.931 -2.804 -3.471 1.00 0.00 H new ATOM 0 HE3 MET A 101 -6.152 -1.943 -4.438 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.579 -7.820 -2.148 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.823 -9.221 -2.629 1.00 0.00 C ATOM 1607 C ILE A 102 -7.370 -9.370 -4.081 1.00 0.00 C ATOM 1608 O ILE A 102 -7.809 -8.672 -4.976 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.309 -9.628 -2.456 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.241 -8.436 -2.680 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.545 -10.151 -1.038 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.695 -8.913 -2.592 1.00 0.00 C ATOM 0 H ILE A 102 -8.371 -7.184 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.231 -9.900 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.524 -10.400 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -10.052 -7.665 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.051 -7.988 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.591 -10.435 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.912 -11.020 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.300 -9.371 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.365 -8.068 -2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.877 -9.669 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.878 -9.341 -1.607 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.479 -10.298 -4.294 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.940 -10.570 -5.647 1.00 0.00 C ATOM 1626 C LEU A 103 -6.752 -11.717 -6.230 1.00 0.00 C ATOM 1627 O LEU A 103 -7.699 -12.171 -5.622 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.462 -10.981 -5.528 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.572 -9.733 -5.413 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -4.061 -8.828 -4.271 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.133 -10.175 -5.121 1.00 0.00 C ATOM 0 H LEU A 103 -6.094 -10.894 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.006 -9.689 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.323 -11.617 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.169 -11.567 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.617 -9.176 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.420 -7.949 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.086 -8.515 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.024 -9.377 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.493 -9.297 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.107 -10.734 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.775 -10.809 -5.932 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.412 -12.183 -7.400 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.182 -13.310 -7.996 1.00 0.00 C ATOM 1645 C ASN A 104 -7.009 -14.545 -7.101 1.00 0.00 C ATOM 1646 O ASN A 104 -6.598 -15.598 -7.545 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.649 -13.606 -9.404 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.421 -14.784 -10.010 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -6.882 -15.862 -10.162 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.669 -14.623 -10.363 1.00 0.00 N ATOM 0 H ASN A 104 -5.639 -11.834 -7.966 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.238 -13.050 -8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.755 -12.725 -10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.585 -13.840 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.190 -15.402 -10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.122 -13.718 -10.236 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.321 -14.411 -5.838 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.186 -15.555 -4.897 1.00 0.00 C ATOM 1659 C GLY A 105 -7.836 -15.198 -3.562 1.00 0.00 C ATOM 1660 O GLY A 105 -8.994 -15.469 -3.327 1.00 0.00 O ATOM 0 H GLY A 105 -7.667 -13.548 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.658 -16.443 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.133 -15.795 -4.748 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.084 -14.587 -2.682 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.627 -14.204 -1.343 1.00 0.00 C ATOM 1666 C VAL A 106 -6.963 -12.890 -0.899 1.00 0.00 C ATOM 1667 O VAL A 106 -6.174 -12.324 -1.623 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.323 -15.324 -0.330 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.324 -15.285 0.827 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.439 -16.679 -1.022 1.00 0.00 C ATOM 0 H VAL A 106 -6.108 -14.335 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.707 -14.064 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.314 -15.177 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.095 -16.083 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.258 -14.322 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.333 -15.422 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.224 -17.473 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.450 -16.804 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.726 -16.730 -1.845 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.283 -12.390 0.269 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.684 -11.105 0.725 1.00 0.00 C ATOM 1682 C CYS A 107 -5.211 -11.262 1.095 1.00 0.00 C ATOM 1683 O CYS A 107 -4.776 -12.258 1.620 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.461 -10.593 1.946 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.947 -11.997 2.967 1.00 0.00 S ATOM 0 H CYS A 107 -7.935 -12.820 0.925 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.747 -10.394 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.844 -9.904 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.343 -10.038 1.625 1.00 0.00 H new ATOM 0 HG CYS A 107 -8.666 -12.819 2.261 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.466 -10.221 0.841 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.028 -10.175 1.188 1.00 0.00 C ATOM 1693 C VAL A 108 -2.823 -8.837 1.900 1.00 0.00 C ATOM 1694 O VAL A 108 -3.518 -7.881 1.612 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.183 -10.251 -0.084 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.325 -8.958 -0.901 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.720 -10.483 0.301 1.00 0.00 C ATOM 0 H VAL A 108 -4.813 -9.374 0.391 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.728 -11.011 1.820 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.531 -11.079 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.717 -9.029 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.370 -8.815 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.989 -8.111 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.111 -10.538 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.372 -9.659 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.633 -11.418 0.855 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.929 -8.748 2.847 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.766 -7.452 3.586 1.00 0.00 C ATOM 1709 C ILE A 109 -0.561 -6.675 3.048 1.00 0.00 C ATOM 1710 O ILE A 109 0.574 -7.084 3.173 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.592 -7.782 5.084 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.872 -6.541 5.948 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.165 -8.275 5.366 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.911 -6.963 7.421 1.00 0.00 C ATOM 0 H ILE A 109 -1.309 -9.503 3.142 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.643 -6.820 3.446 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.304 -8.568 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.098 -5.790 5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.820 -6.087 5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.062 -8.503 6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.032 -9.174 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.549 -7.499 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.109 -6.091 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.700 -7.700 7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.951 -7.398 7.700 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.826 -5.547 2.453 1.00 0.00 N ATOM 1727 CA TRP A 110 0.262 -4.699 1.899 1.00 0.00 C ATOM 1728 C TRP A 110 0.497 -3.523 2.856 1.00 0.00 C ATOM 1729 O TRP A 110 -0.417 -2.796 3.192 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.183 -4.183 0.524 1.00 0.00 C ATOM 1731 CG TRP A 110 0.989 -3.628 -0.234 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.713 -4.294 -1.171 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.579 -2.297 -0.140 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.710 -3.456 -1.649 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.667 -2.214 -1.044 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.281 -1.165 0.639 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.425 -1.045 -1.173 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.043 0.006 0.511 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.110 0.067 -0.389 1.00 0.00 C ATOM 0 H TRP A 110 -1.766 -5.172 2.326 1.00 0.00 H new ATOM 0 HA TRP A 110 1.187 -5.266 1.792 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.641 -4.993 -0.044 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.943 -3.411 0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.540 -5.311 -1.492 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.391 -3.724 -2.360 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.460 -1.197 1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.247 -1.003 -1.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.802 0.869 1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.691 0.973 -0.478 1.00 0.00 H new ATOM 1750 N LYS A 111 1.710 -3.310 3.289 1.00 0.00 N ATOM 1751 CA LYS A 111 1.983 -2.156 4.210 1.00 0.00 C ATOM 1752 C LYS A 111 3.377 -1.606 3.966 1.00 0.00 C ATOM 1753 O LYS A 111 4.300 -1.835 4.719 1.00 0.00 O ATOM 1754 CB LYS A 111 1.823 -2.577 5.671 1.00 0.00 C ATOM 1755 CG LYS A 111 2.519 -3.913 5.905 1.00 0.00 C ATOM 1756 CD LYS A 111 2.263 -4.373 7.337 1.00 0.00 C ATOM 1757 CE LYS A 111 3.067 -5.644 7.616 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.561 -6.764 6.771 1.00 0.00 N ATOM 0 H LYS A 111 2.523 -3.878 3.050 1.00 0.00 H new ATOM 0 HA LYS A 111 1.256 -1.371 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.247 -1.816 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.765 -2.659 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.148 -4.657 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.590 -3.813 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.547 -3.589 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.200 -4.563 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.123 -5.469 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.989 -5.909 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.979 -7.659 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.525 -6.818 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.825 -6.597 5.779 1.00 0.00 H new ATOM 1772 N GLY A 112 3.508 -0.857 2.919 1.00 0.00 N ATOM 1773 CA GLY A 112 4.816 -0.238 2.599 1.00 0.00 C ATOM 1774 C GLY A 112 5.011 1.020 3.439 1.00 0.00 C ATOM 1775 O GLY A 112 4.057 1.609 3.907 1.00 0.00 O ATOM 0 H GLY A 112 2.757 -0.643 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.621 -0.946 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.861 0.011 1.539 1.00 0.00 H new ATOM 1779 N TRP A 113 6.230 1.476 3.587 1.00 0.00 N ATOM 1780 CA TRP A 113 6.479 2.744 4.344 1.00 0.00 C ATOM 1781 C TRP A 113 7.604 3.512 3.676 1.00 0.00 C ATOM 1782 O TRP A 113 8.395 2.972 2.933 1.00 0.00 O ATOM 1783 CB TRP A 113 6.840 2.497 5.826 1.00 0.00 C ATOM 1784 CG TRP A 113 7.982 1.546 5.997 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.858 0.256 6.378 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.412 1.792 5.852 1.00 0.00 C ATOM 1787 NE1 TRP A 113 9.118 -0.307 6.471 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.107 0.595 6.149 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.166 2.923 5.493 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.497 0.519 6.082 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.569 2.849 5.424 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.233 1.649 5.722 1.00 0.00 C ATOM 0 H TRP A 113 7.066 1.025 3.216 1.00 0.00 H new ATOM 0 HA TRP A 113 5.552 3.317 4.329 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.092 3.447 6.296 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.966 2.105 6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.927 -0.253 6.578 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.293 -1.274 6.745 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.665 3.853 5.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 12.002 -0.409 6.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.139 3.721 5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.311 1.600 5.673 1.00 0.00 H new ATOM 1803 N ILE A 114 7.673 4.780 3.941 1.00 0.00 N ATOM 1804 CA ILE A 114 8.729 5.616 3.322 1.00 0.00 C ATOM 1805 C ILE A 114 8.952 6.836 4.208 1.00 0.00 C ATOM 1806 O ILE A 114 8.034 7.362 4.815 1.00 0.00 O ATOM 1807 CB ILE A 114 8.261 6.054 1.918 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.754 6.344 1.981 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.549 4.965 0.867 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.294 6.946 0.659 1.00 0.00 C ATOM 0 H ILE A 114 7.038 5.278 4.565 1.00 0.00 H new ATOM 0 HA ILE A 114 9.661 5.058 3.226 1.00 0.00 H new ATOM 0 HB ILE A 114 8.808 6.948 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.205 5.425 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.539 7.031 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.208 5.304 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.621 4.770 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.023 4.050 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.224 7.151 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.834 7.875 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.494 6.243 -0.150 1.00 0.00 H new ATOM 1822 N ASP A 115 10.169 7.291 4.304 1.00 0.00 N ATOM 1823 CA ASP A 115 10.439 8.461 5.157 1.00 0.00 C ATOM 1824 C ASP A 115 9.945 9.707 4.423 1.00 0.00 C ATOM 1825 O ASP A 115 9.621 9.661 3.251 1.00 0.00 O ATOM 1826 CB ASP A 115 11.946 8.531 5.452 1.00 0.00 C ATOM 1827 CG ASP A 115 12.191 9.297 6.761 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.279 9.974 7.210 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.291 9.194 7.290 1.00 0.00 O ATOM 0 H ASP A 115 10.981 6.899 3.827 1.00 0.00 H new ATOM 0 HA ASP A 115 9.918 8.388 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.357 7.524 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.463 9.025 4.630 1.00 0.00 H new ATOM 1834 N LEU A 116 9.831 10.797 5.110 1.00 0.00 N ATOM 1835 CA LEU A 116 9.301 12.037 4.471 1.00 0.00 C ATOM 1836 C LEU A 116 10.292 12.604 3.429 1.00 0.00 C ATOM 1837 O LEU A 116 9.930 13.446 2.636 1.00 0.00 O ATOM 1838 CB LEU A 116 9.038 13.091 5.563 1.00 0.00 C ATOM 1839 CG LEU A 116 7.938 14.093 5.120 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.400 14.807 6.365 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.493 15.140 4.116 1.00 0.00 C ATOM 0 H LEU A 116 10.082 10.891 6.094 1.00 0.00 H new ATOM 0 HA LEU A 116 8.375 11.790 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.733 12.596 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.959 13.631 5.781 1.00 0.00 H new ATOM 0 HG LEU A 116 7.142 13.543 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.625 15.516 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.979 14.073 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.212 15.341 6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.696 15.825 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.302 15.701 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.871 14.630 3.230 1.00 0.00 H new ATOM 1853 N HIS A 117 11.538 12.174 3.428 1.00 0.00 N ATOM 1854 CA HIS A 117 12.527 12.728 2.440 1.00 0.00 C ATOM 1855 C HIS A 117 12.779 11.734 1.299 1.00 0.00 C ATOM 1856 O HIS A 117 12.554 12.044 0.149 1.00 0.00 O ATOM 1857 CB HIS A 117 13.850 13.068 3.154 1.00 0.00 C ATOM 1858 CG HIS A 117 14.326 11.908 3.996 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.582 11.330 3.833 1.00 0.00 N ATOM 1860 CD2 HIS A 117 13.743 11.241 5.044 1.00 0.00 C ATOM 1861 CE1 HIS A 117 15.707 10.366 4.770 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.618 10.273 5.531 1.00 0.00 N ATOM 0 H HIS A 117 11.910 11.469 4.064 1.00 0.00 H new ATOM 0 HA HIS A 117 12.110 13.638 2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.611 13.322 2.416 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.712 13.946 3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 117 12.755 11.437 5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 117 16.583 9.746 4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 117 14.459 9.629 6.306 1.00 0.00 H new ATOM 1870 N ARG A 118 13.249 10.549 1.592 1.00 0.00 N ATOM 1871 CA ARG A 118 13.526 9.559 0.497 1.00 0.00 C ATOM 1872 C ARG A 118 12.397 8.539 0.342 1.00 0.00 C ATOM 1873 O ARG A 118 12.076 7.798 1.244 1.00 0.00 O ATOM 1874 CB ARG A 118 14.830 8.833 0.810 1.00 0.00 C ATOM 1875 CG ARG A 118 14.740 8.150 2.185 1.00 0.00 C ATOM 1876 CD ARG A 118 16.145 7.857 2.711 1.00 0.00 C ATOM 1877 NE ARG A 118 16.804 6.857 1.829 1.00 0.00 N ATOM 1878 CZ ARG A 118 18.093 6.690 1.892 1.00 0.00 C ATOM 1879 NH1 ARG A 118 18.796 7.379 2.746 1.00 0.00 N ATOM 1880 NH2 ARG A 118 18.679 5.843 1.097 1.00 0.00 N ATOM 0 H ARG A 118 13.454 10.221 2.536 1.00 0.00 H new ATOM 0 HA ARG A 118 13.602 10.105 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.035 8.090 0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.660 9.540 0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.206 8.792 2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.171 7.224 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.733 8.775 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.092 7.479 3.732 1.00 0.00 H new ATOM 0 HE ARG A 118 16.248 6.304 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 118 18.336 8.048 3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 118 19.806 7.250 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 118 18.128 5.310 0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 118 19.689 5.712 1.146 1.00 0.00 H new ATOM 1894 N LEU A 119 11.811 8.492 -0.827 1.00 0.00 N ATOM 1895 CA LEU A 119 10.716 7.517 -1.099 1.00 0.00 C ATOM 1896 C LEU A 119 11.302 6.198 -1.635 1.00 0.00 C ATOM 1897 O LEU A 119 10.885 5.696 -2.651 1.00 0.00 O ATOM 1898 CB LEU A 119 9.681 8.115 -2.094 1.00 0.00 C ATOM 1899 CG LEU A 119 10.332 9.109 -3.078 1.00 0.00 C ATOM 1900 CD1 LEU A 119 10.740 10.415 -2.352 1.00 0.00 C ATOM 1901 CD2 LEU A 119 11.532 8.447 -3.795 1.00 0.00 C ATOM 0 H LEU A 119 12.049 9.096 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 119 10.195 7.306 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 119 9.208 7.308 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.893 8.621 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 119 9.601 9.380 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 119 11.197 11.101 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.856 10.881 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 119 11.455 10.184 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 119 11.981 9.160 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 119 12.273 8.141 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 119 11.188 7.573 -4.348 1.00 0.00 H new ATOM 1913 N ASP A 120 12.254 5.623 -0.936 1.00 0.00 N ATOM 1914 CA ASP A 120 12.852 4.305 -1.366 1.00 0.00 C ATOM 1915 C ASP A 120 12.832 3.396 -0.140 1.00 0.00 C ATOM 1916 O ASP A 120 13.770 2.675 0.151 1.00 0.00 O ATOM 1917 CB ASP A 120 14.292 4.498 -1.838 1.00 0.00 C ATOM 1918 CG ASP A 120 15.150 4.998 -0.677 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.589 5.545 0.256 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.354 4.820 -0.738 1.00 0.00 O ATOM 0 H ASP A 120 12.649 6.009 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 120 12.286 3.876 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.690 3.557 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.323 5.213 -2.660 1.00 0.00 H new ATOM 1925 N GLY A 121 11.763 3.478 0.600 1.00 0.00 N ATOM 1926 CA GLY A 121 11.611 2.696 1.859 1.00 0.00 C ATOM 1927 C GLY A 121 11.632 1.196 1.610 1.00 0.00 C ATOM 1928 O GLY A 121 12.255 0.696 0.697 1.00 0.00 O ATOM 0 H GLY A 121 10.964 4.072 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.414 2.959 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.673 2.969 2.343 1.00 0.00 H new ATOM 1932 N MET A 122 10.932 0.490 2.450 1.00 0.00 N ATOM 1933 CA MET A 122 10.845 -0.994 2.356 1.00 0.00 C ATOM 1934 C MET A 122 9.395 -1.371 2.656 1.00 0.00 C ATOM 1935 O MET A 122 8.696 -0.648 3.333 1.00 0.00 O ATOM 1936 CB MET A 122 11.757 -1.611 3.416 1.00 0.00 C ATOM 1937 CG MET A 122 11.956 -3.111 3.159 1.00 0.00 C ATOM 1938 SD MET A 122 13.222 -3.366 1.891 1.00 0.00 S ATOM 1939 CE MET A 122 14.671 -3.185 2.965 1.00 0.00 C ATOM 0 H MET A 122 10.400 0.892 3.222 1.00 0.00 H new ATOM 0 HA MET A 122 11.148 -1.351 1.372 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.723 -1.105 3.410 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.325 -1.461 4.405 1.00 0.00 H new ATOM 0 HG2 MET A 122 12.250 -3.610 4.082 1.00 0.00 H new ATOM 0 HG3 MET A 122 11.016 -3.561 2.840 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.430 -2.591 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.379 -2.685 3.889 1.00 0.00 H new ATOM 0 HE3 MET A 122 15.077 -4.170 3.198 1.00 0.00 H new ATOM 1949 N GLY A 123 8.923 -2.479 2.162 1.00 0.00 N ATOM 1950 CA GLY A 123 7.506 -2.852 2.427 1.00 0.00 C ATOM 1951 C GLY A 123 7.347 -4.368 2.370 1.00 0.00 C ATOM 1952 O GLY A 123 7.452 -4.982 1.327 1.00 0.00 O ATOM 0 H GLY A 123 9.451 -3.139 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.201 -2.483 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.854 -2.382 1.691 1.00 0.00 H new ATOM 1956 N CYS A 124 7.105 -4.964 3.500 1.00 0.00 N ATOM 1957 CA CYS A 124 6.931 -6.438 3.558 1.00 0.00 C ATOM 1958 C CYS A 124 5.516 -6.820 3.124 1.00 0.00 C ATOM 1959 O CYS A 124 4.552 -6.190 3.499 1.00 0.00 O ATOM 1960 CB CYS A 124 7.172 -6.901 4.996 1.00 0.00 C ATOM 1961 SG CYS A 124 8.799 -6.347 5.564 1.00 0.00 S ATOM 0 H CYS A 124 7.019 -4.486 4.397 1.00 0.00 H new ATOM 0 HA CYS A 124 7.641 -6.918 2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.395 -6.503 5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 124 7.110 -7.988 5.052 1.00 0.00 H new ATOM 0 HG CYS A 124 8.990 -6.745 6.787 1.00 0.00 H new ATOM 1967 N LEU A 125 5.398 -7.872 2.349 1.00 0.00 N ATOM 1968 CA LEU A 125 4.049 -8.352 1.886 1.00 0.00 C ATOM 1969 C LEU A 125 3.894 -9.813 2.313 1.00 0.00 C ATOM 1970 O LEU A 125 4.810 -10.603 2.203 1.00 0.00 O ATOM 1971 CB LEU A 125 3.970 -8.179 0.367 1.00 0.00 C ATOM 1972 CG LEU A 125 2.679 -8.752 -0.223 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.483 -7.924 0.243 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.771 -8.689 -1.749 1.00 0.00 C ATOM 0 H LEU A 125 6.185 -8.427 2.012 1.00 0.00 H new ATOM 0 HA LEU A 125 3.235 -7.779 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.039 -7.119 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.826 -8.670 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 125 2.549 -9.783 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.567 -8.337 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.424 -7.951 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.603 -6.893 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.858 -9.094 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.895 -7.653 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.626 -9.275 -2.086 1.00 0.00 H new ATOM 1986 N GLU A 126 2.750 -10.173 2.844 1.00 0.00 N ATOM 1987 CA GLU A 126 2.552 -11.592 3.316 1.00 0.00 C ATOM 1988 C GLU A 126 1.058 -12.002 3.244 1.00 0.00 C ATOM 1989 O GLU A 126 0.183 -11.277 3.659 1.00 0.00 O ATOM 1990 CB GLU A 126 3.001 -11.712 4.787 1.00 0.00 C ATOM 1991 CG GLU A 126 4.469 -11.300 4.936 1.00 0.00 C ATOM 1992 CD GLU A 126 4.963 -11.632 6.350 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.214 -12.249 7.095 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.081 -11.265 6.667 1.00 0.00 O ATOM 0 H GLU A 126 1.948 -9.556 2.973 1.00 0.00 H new ATOM 0 HA GLU A 126 3.141 -12.243 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.374 -11.081 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.868 -12.738 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.079 -11.820 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.577 -10.232 4.745 1.00 0.00 H new ATOM 2001 N PHE A 127 0.772 -13.192 2.757 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.648 -13.685 2.703 1.00 0.00 C ATOM 2003 C PHE A 127 -1.004 -14.310 4.079 1.00 0.00 C ATOM 2004 O PHE A 127 -0.806 -15.492 4.292 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.747 -14.745 1.572 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.474 -14.207 0.347 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.870 -14.328 0.251 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -0.754 -13.634 -0.721 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -3.537 -13.875 -0.893 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -1.431 -13.187 -1.870 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.823 -13.309 -1.951 1.00 0.00 C ATOM 0 H PHE A 127 1.465 -13.846 2.393 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.346 -12.874 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.255 -15.065 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.269 -15.626 1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.430 -14.771 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.320 -13.538 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -4.611 -13.964 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.878 -12.750 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.345 -12.965 -2.832 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.529 -13.545 5.015 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.879 -14.140 6.360 1.00 0.00 C ATOM 2023 C ASP A 128 -3.077 -13.419 6.992 1.00 0.00 C ATOM 2024 O ASP A 128 -3.226 -13.372 8.199 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.668 -14.042 7.301 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.921 -14.893 8.548 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.982 -15.486 8.631 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.043 -14.947 9.395 1.00 0.00 O ATOM 0 H ASP A 128 -1.729 -12.550 4.912 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.148 -15.185 6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.232 -14.385 6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.497 -13.003 7.585 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.926 -12.849 6.191 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.107 -12.108 6.733 1.00 0.00 C ATOM 2035 C GLU A 129 -6.156 -13.065 7.346 1.00 0.00 C ATOM 2036 O GLU A 129 -6.624 -14.020 6.728 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.745 -11.309 5.594 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.741 -10.313 5.019 1.00 0.00 C ATOM 2039 CD GLU A 129 -3.662 -11.080 4.260 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -3.966 -12.144 3.758 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -2.542 -10.603 4.213 1.00 0.00 O ATOM 0 H GLU A 129 -3.857 -12.861 5.173 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.765 -11.445 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.085 -11.987 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.624 -10.779 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -5.245 -9.612 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.293 -9.725 5.820 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.572 -12.784 8.554 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.611 -13.637 9.181 1.00 0.00 C ATOM 2050 C GLU A 130 -8.889 -13.556 8.337 1.00 0.00 C ATOM 2051 O GLU A 130 -9.661 -14.488 8.267 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.866 -13.179 10.627 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.549 -11.802 10.645 1.00 0.00 C ATOM 2054 CD GLU A 130 -7.563 -10.734 10.164 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -6.603 -10.478 10.870 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.778 -10.201 9.088 1.00 0.00 O ATOM 0 H GLU A 130 -6.238 -12.007 9.124 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.277 -14.674 9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.492 -13.909 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.923 -13.130 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.430 -11.813 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.892 -11.568 11.653 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.125 -12.451 7.682 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.356 -12.369 6.857 1.00 0.00 C ATOM 2065 C ARG A 131 -10.179 -13.322 5.679 1.00 0.00 C ATOM 2066 O ARG A 131 -11.111 -13.642 4.966 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.607 -10.928 6.371 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.688 -10.583 5.192 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.494 -9.064 5.099 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.757 -8.357 5.510 1.00 0.00 N ATOM 2071 CZ ARG A 131 -11.889 -8.576 4.892 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -11.914 -9.339 3.834 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.987 -8.003 5.303 1.00 0.00 N ATOM 0 H ARG A 131 -8.532 -11.621 7.683 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.227 -12.653 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.649 -10.817 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.435 -10.228 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.723 -11.073 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -10.118 -10.960 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -8.669 -8.755 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -9.227 -8.785 4.080 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.730 -7.694 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -11.052 -9.763 3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -12.795 -9.511 3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -12.966 -7.380 6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -13.866 -8.178 4.817 1.00 0.00 H new ATOM 2087 N ALA A 132 -8.979 -13.783 5.473 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.736 -14.722 4.359 1.00 0.00 C ATOM 2089 C ALA A 132 -9.453 -16.027 4.649 1.00 0.00 C ATOM 2090 O ALA A 132 -10.126 -16.581 3.799 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.238 -14.982 4.217 1.00 0.00 C ATOM 0 H ALA A 132 -8.159 -13.547 6.031 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.111 -14.292 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.065 -15.675 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.723 -14.043 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.854 -15.414 5.141 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.318 -16.527 5.838 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.015 -17.814 6.144 1.00 0.00 C ATOM 2099 C GLN A 133 -11.537 -17.606 6.013 1.00 0.00 C ATOM 2100 O GLN A 133 -12.246 -18.458 5.507 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.648 -18.295 7.563 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.498 -17.580 8.623 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.831 -17.696 9.998 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.630 -17.574 10.121 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.571 -17.943 11.044 1.00 0.00 N ATOM 0 H GLN A 133 -8.773 -16.120 6.598 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.698 -18.581 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.799 -19.372 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.591 -18.108 7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.619 -16.530 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.496 -18.017 8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.581 -18.046 10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.140 -18.033 11.964 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.054 -16.481 6.460 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.537 -16.268 6.342 1.00 0.00 C ATOM 2116 C GLN A 134 -13.926 -15.864 4.909 1.00 0.00 C ATOM 2117 O GLN A 134 -14.872 -16.385 4.357 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.029 -15.204 7.360 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.906 -13.790 6.787 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.136 -12.763 7.891 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.665 -12.925 8.998 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.852 -11.708 7.635 1.00 0.00 N ATOM 0 H GLN A 134 -11.530 -15.719 6.891 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.027 -17.214 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.068 -15.403 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.446 -15.279 8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.918 -13.650 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.633 -13.647 5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.247 -11.573 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.018 -11.015 8.365 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.229 -14.928 4.300 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.619 -14.513 2.917 1.00 0.00 C ATOM 2133 C GLU A 135 -13.399 -15.660 1.936 1.00 0.00 C ATOM 2134 O GLU A 135 -14.145 -15.834 0.997 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.811 -13.269 2.477 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.520 -13.672 1.759 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.632 -12.439 1.597 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -10.999 -11.398 2.113 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.614 -12.551 0.945 1.00 0.00 O ATOM 0 H GLU A 135 -12.423 -14.444 4.695 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.678 -14.255 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.420 -12.652 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.570 -12.661 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.997 -14.440 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.750 -14.100 0.783 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.375 -16.442 2.133 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.133 -17.546 1.188 1.00 0.00 C ATOM 2148 C ASP A 136 -13.338 -18.482 1.215 1.00 0.00 C ATOM 2149 O ASP A 136 -13.785 -18.956 0.188 1.00 0.00 O ATOM 2150 CB ASP A 136 -10.878 -18.297 1.605 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.541 -19.336 0.535 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.354 -19.531 -0.348 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.474 -19.918 0.617 1.00 0.00 O ATOM 0 H ASP A 136 -11.707 -16.360 2.900 1.00 0.00 H new ATOM 0 HA ASP A 136 -11.994 -17.159 0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.047 -17.602 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.033 -18.784 2.567 1.00 0.00 H new ATOM 2158 N ALA A 137 -13.895 -18.721 2.370 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.101 -19.592 2.425 1.00 0.00 C ATOM 2160 C ALA A 137 -16.247 -18.875 1.703 1.00 0.00 C ATOM 2161 O ALA A 137 -17.000 -19.467 0.958 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.487 -19.857 3.881 1.00 0.00 C ATOM 0 H ALA A 137 -13.573 -18.356 3.266 1.00 0.00 H new ATOM 0 HA ALA A 137 -14.895 -20.548 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.370 -20.495 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -14.662 -20.354 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -15.704 -18.911 4.378 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.383 -17.595 1.932 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.481 -16.814 1.278 1.00 0.00 C ATOM 2170 C LEU A 138 -17.084 -16.407 -0.148 1.00 0.00 C ATOM 2171 O LEU A 138 -17.894 -15.906 -0.907 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.783 -15.573 2.118 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.150 -15.985 3.559 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.462 -14.728 4.386 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.361 -16.946 3.555 1.00 0.00 C ATOM 0 H LEU A 138 -15.778 -17.052 2.548 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.373 -17.438 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.916 -14.912 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.604 -15.013 1.671 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.306 -16.508 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.721 -15.018 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.587 -14.079 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.299 -14.195 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.606 -17.227 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.218 -16.450 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.114 -17.840 2.983 1.00 0.00 H new ATOM 2187 N ALA A 139 -15.852 -16.617 -0.520 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.402 -16.252 -1.894 1.00 0.00 C ATOM 2189 C ALA A 139 -16.231 -17.041 -2.908 1.00 0.00 C ATOM 2190 O ALA A 139 -16.398 -16.634 -4.043 1.00 0.00 O ATOM 2191 CB ALA A 139 -13.933 -16.629 -2.041 1.00 0.00 C ATOM 0 H ALA A 139 -15.132 -17.029 0.073 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.529 -15.183 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.589 -16.368 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.343 -16.088 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.815 -17.701 -1.885 1.00 0.00 H new ATOM 2197 N GLN A 140 -16.753 -18.160 -2.501 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.578 -18.987 -3.421 1.00 0.00 C ATOM 2199 C GLN A 140 -18.908 -18.291 -3.663 1.00 0.00 C ATOM 2200 O GLN A 140 -19.345 -17.475 -2.877 1.00 0.00 O ATOM 2201 CB GLN A 140 -17.818 -20.353 -2.786 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.480 -21.064 -2.611 1.00 0.00 C ATOM 2203 CD GLN A 140 -16.720 -22.445 -2.011 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -17.523 -22.596 -1.113 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.055 -23.466 -2.481 1.00 0.00 N ATOM 0 H GLN A 140 -16.643 -18.541 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.060 -19.116 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.312 -20.238 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.481 -20.948 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -15.975 -21.155 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -15.827 -20.481 -1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -15.382 -23.333 -3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -16.209 -24.397 -2.094 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.549 -18.602 -4.756 1.00 0.00 N ATOM 2215 CA GLN A 141 -20.852 -17.961 -5.075 1.00 0.00 C ATOM 2216 C GLN A 141 -21.991 -18.808 -4.503 1.00 0.00 C ATOM 2217 O GLN A 141 -21.891 -20.026 -4.564 1.00 0.00 O ATOM 2218 CB GLN A 141 -20.990 -17.849 -6.597 1.00 0.00 C ATOM 2219 CG GLN A 141 -22.268 -17.082 -6.941 1.00 0.00 C ATOM 2220 CD GLN A 141 -22.405 -16.976 -8.460 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -22.282 -17.965 -9.150 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -22.661 -15.823 -9.020 1.00 0.00 N ATOM 2223 OXT GLN A 141 -22.939 -18.224 -4.014 1.00 0.00 O ATOM 0 H GLN A 141 -19.222 -19.278 -5.446 1.00 0.00 H new ATOM 0 HA GLN A 141 -20.898 -16.966 -4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -20.123 -17.337 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -21.019 -18.843 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -23.135 -17.592 -6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -22.238 -16.087 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -22.765 -14.988 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -22.756 -15.758 -10.033 1.00 0.00 H new TER 2232 GLN A 141