USER MOD reduce.3.24.130724 H: found=0, std=0, add=1177, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1177 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 CYS SG : rot 90:sc= -0.291 USER MOD Set 1.2: A 90 THR OG1 : rot 93:sc= 1.13 USER MOD Set 2.1: A 45 CYS SG : rot 141:sc= -4.38 USER MOD Set 2.2: A 69 CYS SG : rot 180:sc= 0.216 USER MOD Set 3.1: A 19 CYS SG : rot 47:sc= 0.816 USER MOD Set 3.2: A 89 GLN : amide:sc= -3.01 K(o=-2.2,f=-2.9!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -166:sc= -0.522 (180deg=-1.15) USER MOD Single : A 20 TYR OH : rot 165:sc= -2.08 USER MOD Single : A 21 CYS SG : rot 180:sc= 0.104 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.31 F(o=-1.1,f=-0.31) USER MOD Single : A 31 MET CE :methyl 144:sc= -1.06 (180deg=-2.54!) USER MOD Single : A 34 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.4) USER MOD Single : A 37 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.8!) USER MOD Single : A 38 THR OG1 : rot -118:sc= 0.879 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= 0.141 (180deg=-0.398) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00623 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -128:sc= -0.135 (180deg=-4.04!) USER MOD Single : A 77 SER OG : rot 140:sc= -1.17 USER MOD Single : A 80 TYR OH : rot 36:sc= -1.34 USER MOD Single : A 82 GLN : amide:sc= -0.0509 X(o=-0.051,f=-0.051) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -21:sc= 0.919 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0981 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.377 F(o=-0.93,f=-0.38) USER MOD Single : A 102 GLN : amide:sc=-0.00397 K(o=-0.004,f=-0.87) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.16) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= -0.233 (180deg=-0.448) USER MOD Single : A 113 MET CE :methyl -109:sc= -3.86! (180deg=-9.57!) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= -0.276 (180deg=-1.05) USER MOD Single : A 115 LYS NZ :NH3+ -153:sc= -0.0087 (180deg=-2.66!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 180:sc= -0.0544 USER MOD Single : A 129 TYR OH : rot 30:sc= -0.218 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.828 K(o=-0.83,f=-4.9!) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 160:sc= -0.0253 (180deg=-0.244) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 81:sc= 0.264 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot -112:sc= 0.433 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 9 -11.153 -11.094 -11.416 1.00 0.00 N ATOM 2 CA HIS A 9 -10.134 -11.013 -12.457 1.00 0.00 C ATOM 3 C HIS A 9 -8.800 -10.558 -11.880 1.00 0.00 C ATOM 4 O HIS A 9 -8.608 -9.377 -11.590 1.00 0.00 O ATOM 5 CB HIS A 9 -10.572 -10.054 -13.564 1.00 0.00 C ATOM 6 CG HIS A 9 -12.006 -10.207 -13.965 1.00 0.00 C ATOM 7 ND1 HIS A 9 -12.927 -9.182 -13.879 1.00 0.00 N ATOM 8 CD2 HIS A 9 -12.679 -11.273 -14.460 1.00 0.00 C ATOM 9 CE1 HIS A 9 -14.101 -9.612 -14.304 1.00 0.00 C ATOM 10 NE2 HIS A 9 -13.979 -10.877 -14.663 1.00 0.00 N ATOM 0 HA HIS A 9 -10.009 -12.010 -12.879 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.405 -9.030 -13.231 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.941 -10.212 -14.439 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.270 -12.253 -14.658 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.008 -9.028 -14.350 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.728 -11.464 -15.031 1.00 0.00 H new ATOM 19 N MET A 10 -7.880 -11.504 -11.722 1.00 0.00 N ATOM 20 CA MET A 10 -6.554 -11.214 -11.184 1.00 0.00 C ATOM 21 C MET A 10 -5.723 -12.491 -11.078 1.00 0.00 C ATOM 22 O MET A 10 -6.269 -13.587 -10.946 1.00 0.00 O ATOM 23 CB MET A 10 -6.664 -10.546 -9.809 1.00 0.00 C ATOM 24 CG MET A 10 -7.249 -11.447 -8.734 1.00 0.00 C ATOM 25 SD MET A 10 -9.023 -11.708 -8.932 1.00 0.00 S ATOM 26 CE MET A 10 -9.666 -10.711 -7.591 1.00 0.00 C ATOM 0 H MET A 10 -8.029 -12.484 -11.960 1.00 0.00 H new ATOM 0 HA MET A 10 -6.055 -10.528 -11.869 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.673 -10.217 -9.495 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.283 -9.653 -9.898 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.740 -12.410 -8.757 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.058 -11.008 -7.755 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.714 -10.960 -7.423 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.096 -10.910 -6.684 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.580 -9.655 -7.849 1.00 0.00 H new ATOM 36 N PRO A 11 -4.385 -12.368 -11.135 1.00 0.00 N ATOM 37 CA PRO A 11 -3.481 -13.519 -11.045 1.00 0.00 C ATOM 38 C PRO A 11 -3.603 -14.246 -9.709 1.00 0.00 C ATOM 39 O PRO A 11 -4.392 -13.855 -8.849 1.00 0.00 O ATOM 40 CB PRO A 11 -2.085 -12.901 -11.192 1.00 0.00 C ATOM 41 CG PRO A 11 -2.262 -11.461 -10.848 1.00 0.00 C ATOM 42 CD PRO A 11 -3.651 -11.102 -11.291 1.00 0.00 C ATOM 0 HA PRO A 11 -3.706 -14.269 -11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.369 -13.381 -10.525 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.705 -13.021 -12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.138 -11.297 -9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.519 -10.844 -11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.078 -10.309 -10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.668 -10.750 -12.323 1.00 0.00 H new ATOM 50 N GLU A 12 -2.818 -15.306 -9.543 1.00 0.00 N ATOM 51 CA GLU A 12 -2.839 -16.086 -8.311 1.00 0.00 C ATOM 52 C GLU A 12 -1.852 -15.524 -7.295 1.00 0.00 C ATOM 53 O GLU A 12 -2.118 -15.514 -6.092 1.00 0.00 O ATOM 54 CB GLU A 12 -2.509 -17.551 -8.605 1.00 0.00 C ATOM 55 CG GLU A 12 -3.551 -18.249 -9.464 1.00 0.00 C ATOM 56 CD GLU A 12 -3.205 -19.700 -9.733 1.00 0.00 C ATOM 57 OE1 GLU A 12 -2.210 -19.953 -10.442 1.00 0.00 O ATOM 58 OE2 GLU A 12 -3.933 -20.585 -9.234 1.00 0.00 O ATOM 0 H GLU A 12 -2.160 -15.644 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.842 -16.025 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.543 -17.603 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.408 -18.088 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.520 -18.196 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.649 -17.720 -10.412 1.00 0.00 H new ATOM 65 N ARG A 13 -0.711 -15.056 -7.788 1.00 0.00 N ATOM 66 CA ARG A 13 0.321 -14.489 -6.926 1.00 0.00 C ATOM 67 C ARG A 13 0.451 -12.988 -7.161 1.00 0.00 C ATOM 68 O ARG A 13 0.609 -12.539 -8.297 1.00 0.00 O ATOM 69 CB ARG A 13 1.664 -15.174 -7.180 1.00 0.00 C ATOM 70 CG ARG A 13 1.556 -16.680 -7.369 1.00 0.00 C ATOM 71 CD ARG A 13 1.523 -17.058 -8.842 1.00 0.00 C ATOM 72 NE ARG A 13 2.606 -17.972 -9.196 1.00 0.00 N ATOM 73 CZ ARG A 13 2.690 -19.227 -8.760 1.00 0.00 C ATOM 74 NH1 ARG A 13 1.759 -19.721 -7.954 1.00 0.00 N ATOM 75 NH2 ARG A 13 3.709 -19.990 -9.131 1.00 0.00 N ATOM 0 H ARG A 13 -0.477 -15.058 -8.781 1.00 0.00 H new ATOM 0 HA ARG A 13 0.029 -14.657 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.123 -14.737 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.331 -14.969 -6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.402 -17.170 -6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.654 -17.045 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.565 -17.523 -9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.596 -16.156 -9.450 1.00 0.00 H new ATOM 0 HE ARG A 13 3.341 -17.628 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.973 -19.138 -7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.829 -20.683 -7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.428 -19.615 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.774 -20.952 -8.797 1.00 0.00 H new ATOM 89 N PHE A 14 0.379 -12.214 -6.083 1.00 0.00 N ATOM 90 CA PHE A 14 0.488 -10.764 -6.179 1.00 0.00 C ATOM 91 C PHE A 14 1.725 -10.261 -5.445 1.00 0.00 C ATOM 92 O PHE A 14 2.487 -11.044 -4.881 1.00 0.00 O ATOM 93 CB PHE A 14 -0.766 -10.102 -5.605 1.00 0.00 C ATOM 94 CG PHE A 14 -1.776 -9.724 -6.652 1.00 0.00 C ATOM 95 CD1 PHE A 14 -1.477 -8.762 -7.603 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.021 -10.330 -6.683 1.00 0.00 C ATOM 97 CE1 PHE A 14 -2.403 -8.410 -8.567 1.00 0.00 C ATOM 98 CE2 PHE A 14 -3.952 -9.982 -7.644 1.00 0.00 C ATOM 99 CZ PHE A 14 -3.643 -9.021 -8.586 1.00 0.00 C ATOM 0 H PHE A 14 0.246 -12.566 -5.135 1.00 0.00 H new ATOM 0 HA PHE A 14 0.582 -10.499 -7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.231 -10.781 -4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.475 -9.209 -5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.510 -8.282 -7.591 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.267 -11.083 -5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.158 -7.659 -9.304 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.920 -10.461 -7.658 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.369 -8.747 -9.337 1.00 0.00 H new ATOM 109 N ASP A 15 1.918 -8.946 -5.460 1.00 0.00 N ATOM 110 CA ASP A 15 3.064 -8.336 -4.797 1.00 0.00 C ATOM 111 C ASP A 15 2.636 -7.610 -3.527 1.00 0.00 C ATOM 112 O ASP A 15 3.083 -7.943 -2.429 1.00 0.00 O ATOM 113 CB ASP A 15 3.770 -7.363 -5.744 1.00 0.00 C ATOM 114 CG ASP A 15 5.277 -7.520 -5.716 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.841 -7.627 -4.607 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.893 -7.537 -6.801 1.00 0.00 O ATOM 0 H ASP A 15 1.296 -8.283 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 15 3.758 -9.130 -4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.410 -7.523 -6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.509 -6.341 -5.471 1.00 0.00 H new ATOM 121 N ALA A 16 1.770 -6.613 -3.681 1.00 0.00 N ATOM 122 CA ALA A 16 1.291 -5.842 -2.539 1.00 0.00 C ATOM 123 C ALA A 16 -0.151 -5.388 -2.732 1.00 0.00 C ATOM 124 O ALA A 16 -0.761 -5.635 -3.774 1.00 0.00 O ATOM 125 CB ALA A 16 2.189 -4.635 -2.309 1.00 0.00 C ATOM 0 H ALA A 16 1.387 -6.321 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 16 1.323 -6.491 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.822 -4.066 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.207 -4.971 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.182 -4.002 -3.196 1.00 0.00 H new ATOM 131 N PHE A 17 -0.682 -4.707 -1.722 1.00 0.00 N ATOM 132 CA PHE A 17 -2.048 -4.198 -1.773 1.00 0.00 C ATOM 133 C PHE A 17 -2.060 -2.680 -1.616 1.00 0.00 C ATOM 134 O PHE A 17 -1.149 -2.102 -1.024 1.00 0.00 O ATOM 135 CB PHE A 17 -2.902 -4.847 -0.683 1.00 0.00 C ATOM 136 CG PHE A 17 -4.343 -4.422 -0.714 1.00 0.00 C ATOM 137 CD1 PHE A 17 -4.737 -3.221 -0.147 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.302 -5.225 -1.309 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.061 -2.828 -0.173 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.629 -4.838 -1.339 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.009 -3.638 -0.770 1.00 0.00 C ATOM 0 H PHE A 17 -0.186 -4.494 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.471 -4.451 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.849 -5.931 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.480 -4.601 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.000 -2.585 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.010 -6.164 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.355 -1.889 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.367 -5.473 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.045 -3.333 -0.791 1.00 0.00 H new ATOM 151 N ILE A 18 -3.091 -2.039 -2.157 1.00 0.00 N ATOM 152 CA ILE A 18 -3.211 -0.587 -2.085 1.00 0.00 C ATOM 153 C ILE A 18 -4.412 -0.163 -1.246 1.00 0.00 C ATOM 154 O ILE A 18 -5.560 -0.324 -1.659 1.00 0.00 O ATOM 155 CB ILE A 18 -3.341 0.035 -3.493 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.111 -0.302 -4.340 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.531 1.545 -3.403 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.848 0.399 -3.884 1.00 0.00 C ATOM 0 H ILE A 18 -3.855 -2.502 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.299 -0.224 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.222 -0.389 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.947 -1.379 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.311 -0.034 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.620 1.961 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.436 1.765 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.672 1.990 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.019 0.112 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.992 1.478 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.623 0.112 -2.857 1.00 0.00 H new ATOM 170 N CYS A 19 -4.136 0.404 -0.076 1.00 0.00 N ATOM 171 CA CYS A 19 -5.190 0.879 0.811 1.00 0.00 C ATOM 172 C CYS A 19 -5.293 2.398 0.728 1.00 0.00 C ATOM 173 O CYS A 19 -4.537 3.117 1.383 1.00 0.00 O ATOM 174 CB CYS A 19 -4.913 0.446 2.253 1.00 0.00 C ATOM 175 SG CYS A 19 -5.805 -1.041 2.761 1.00 0.00 S ATOM 0 H CYS A 19 -3.190 0.545 0.279 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.137 0.441 0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.843 0.273 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.179 1.263 2.924 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.688 -1.953 1.842 1.00 0.00 H new ATOM 181 N TYR A 20 -6.221 2.885 -0.091 1.00 0.00 N ATOM 182 CA TYR A 20 -6.404 4.320 -0.272 1.00 0.00 C ATOM 183 C TYR A 20 -7.817 4.756 0.097 1.00 0.00 C ATOM 184 O TYR A 20 -8.681 3.929 0.386 1.00 0.00 O ATOM 185 CB TYR A 20 -6.107 4.714 -1.721 1.00 0.00 C ATOM 186 CG TYR A 20 -6.774 3.825 -2.751 1.00 0.00 C ATOM 187 CD1 TYR A 20 -8.131 3.526 -2.678 1.00 0.00 C ATOM 188 CD2 TYR A 20 -6.046 3.290 -3.806 1.00 0.00 C ATOM 189 CE1 TYR A 20 -8.739 2.720 -3.621 1.00 0.00 C ATOM 190 CE2 TYR A 20 -6.647 2.484 -4.755 1.00 0.00 C ATOM 191 CZ TYR A 20 -7.993 2.203 -4.657 1.00 0.00 C ATOM 192 OH TYR A 20 -8.596 1.402 -5.601 1.00 0.00 O ATOM 0 H TYR A 20 -6.857 2.306 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.706 4.826 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.430 5.743 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.029 4.690 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.720 3.932 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.991 3.508 -3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.793 2.497 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.065 2.077 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.009 1.317 -6.381 1.00 0.00 H new ATOM 202 N CYS A 21 -8.044 6.066 0.074 1.00 0.00 N ATOM 203 CA CYS A 21 -9.350 6.627 0.392 1.00 0.00 C ATOM 204 C CYS A 21 -10.099 7.000 -0.887 1.00 0.00 C ATOM 205 O CYS A 21 -9.489 7.429 -1.866 1.00 0.00 O ATOM 206 CB CYS A 21 -9.197 7.859 1.286 1.00 0.00 C ATOM 207 SG CYS A 21 -8.333 9.239 0.501 1.00 0.00 S ATOM 0 H CYS A 21 -7.336 6.761 -0.163 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.926 5.872 0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.187 8.194 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.658 7.574 2.190 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.256 10.233 1.335 1.00 0.00 H new ATOM 213 N PRO A 22 -11.435 6.837 -0.903 1.00 0.00 N ATOM 214 CA PRO A 22 -12.257 7.157 -2.075 1.00 0.00 C ATOM 215 C PRO A 22 -12.328 8.658 -2.359 1.00 0.00 C ATOM 216 O PRO A 22 -12.870 9.078 -3.381 1.00 0.00 O ATOM 217 CB PRO A 22 -13.651 6.623 -1.709 1.00 0.00 C ATOM 218 CG PRO A 22 -13.453 5.776 -0.496 1.00 0.00 C ATOM 219 CD PRO A 22 -12.250 6.329 0.209 1.00 0.00 C ATOM 0 HA PRO A 22 -11.839 6.715 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.343 7.441 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.075 6.042 -2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.331 5.808 0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.298 4.733 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.518 7.120 0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -11.726 5.562 0.779 1.00 0.00 H new ATOM 227 N SER A 23 -11.785 9.465 -1.448 1.00 0.00 N ATOM 228 CA SER A 23 -11.801 10.915 -1.607 1.00 0.00 C ATOM 229 C SER A 23 -10.621 11.392 -2.448 1.00 0.00 C ATOM 230 O SER A 23 -10.711 12.408 -3.137 1.00 0.00 O ATOM 231 CB SER A 23 -11.775 11.596 -0.239 1.00 0.00 C ATOM 232 OG SER A 23 -12.953 11.313 0.495 1.00 0.00 O ATOM 0 H SER A 23 -11.330 9.139 -0.595 1.00 0.00 H new ATOM 0 HA SER A 23 -12.720 11.185 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.904 11.258 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.673 12.674 -0.368 1.00 0.00 H new ATOM 0 HG SER A 23 -12.910 11.759 1.367 1.00 0.00 H new ATOM 238 N ASP A 24 -9.517 10.657 -2.388 1.00 0.00 N ATOM 239 CA ASP A 24 -8.323 11.013 -3.143 1.00 0.00 C ATOM 240 C ASP A 24 -7.655 9.772 -3.728 1.00 0.00 C ATOM 241 O ASP A 24 -6.437 9.613 -3.647 1.00 0.00 O ATOM 242 CB ASP A 24 -7.336 11.769 -2.250 1.00 0.00 C ATOM 243 CG ASP A 24 -6.323 12.565 -3.049 1.00 0.00 C ATOM 244 OD1 ASP A 24 -6.741 13.331 -3.942 1.00 0.00 O ATOM 245 OD2 ASP A 24 -5.111 12.421 -2.782 1.00 0.00 O ATOM 0 H ASP A 24 -9.424 9.812 -1.825 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.625 11.660 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.887 12.443 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.812 11.059 -1.610 1.00 0.00 H new ATOM 250 N ILE A 25 -8.462 8.898 -4.320 1.00 0.00 N ATOM 251 CA ILE A 25 -7.950 7.673 -4.922 1.00 0.00 C ATOM 252 C ILE A 25 -7.159 7.979 -6.190 1.00 0.00 C ATOM 253 O ILE A 25 -6.116 7.378 -6.447 1.00 0.00 O ATOM 254 CB ILE A 25 -9.095 6.689 -5.248 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.548 5.270 -5.436 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.872 7.138 -6.480 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.708 5.090 -6.683 1.00 0.00 C ATOM 0 H ILE A 25 -9.472 9.015 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.286 7.206 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.785 6.682 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.948 5.006 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.384 4.572 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.672 6.426 -6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.301 8.124 -6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.200 7.186 -7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.360 4.059 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.309 5.320 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.850 5.761 -6.644 1.00 0.00 H new ATOM 269 N GLN A 26 -7.667 8.921 -6.980 1.00 0.00 N ATOM 270 CA GLN A 26 -7.019 9.319 -8.227 1.00 0.00 C ATOM 271 C GLN A 26 -5.523 9.543 -8.028 1.00 0.00 C ATOM 272 O GLN A 26 -4.707 9.164 -8.869 1.00 0.00 O ATOM 273 CB GLN A 26 -7.666 10.591 -8.777 1.00 0.00 C ATOM 274 CG GLN A 26 -8.854 10.323 -9.688 1.00 0.00 C ATOM 275 CD GLN A 26 -8.732 11.021 -11.028 1.00 0.00 C ATOM 276 OE1 GLN A 26 -9.273 12.110 -11.226 1.00 0.00 O ATOM 277 NE2 GLN A 26 -8.017 10.398 -11.957 1.00 0.00 N ATOM 0 H GLN A 26 -8.530 9.425 -6.777 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.150 8.508 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.991 11.213 -7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.918 11.161 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.948 9.249 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.768 10.652 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.586 9.497 -11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.898 10.820 -12.878 1.00 0.00 H new ATOM 286 N PHE A 27 -5.172 10.163 -6.909 1.00 0.00 N ATOM 287 CA PHE A 27 -3.775 10.441 -6.594 1.00 0.00 C ATOM 288 C PHE A 27 -3.002 9.144 -6.377 1.00 0.00 C ATOM 289 O PHE A 27 -1.909 8.962 -6.916 1.00 0.00 O ATOM 290 CB PHE A 27 -3.679 11.319 -5.345 1.00 0.00 C ATOM 291 CG PHE A 27 -2.452 12.186 -5.312 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.193 11.620 -5.200 1.00 0.00 C ATOM 293 CD2 PHE A 27 -2.561 13.565 -5.394 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.063 12.415 -5.169 1.00 0.00 C ATOM 295 CE2 PHE A 27 -1.433 14.365 -5.364 1.00 0.00 C ATOM 296 CZ PHE A 27 -0.183 13.789 -5.251 1.00 0.00 C ATOM 0 H PHE A 27 -5.835 10.484 -6.203 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.334 10.971 -7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.564 11.953 -5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.687 10.681 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.093 10.547 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.537 14.020 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.914 11.962 -5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.530 15.439 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.699 14.411 -5.227 1.00 0.00 H new ATOM 306 N VAL A 28 -3.576 8.247 -5.584 1.00 0.00 N ATOM 307 CA VAL A 28 -2.941 6.968 -5.293 1.00 0.00 C ATOM 308 C VAL A 28 -2.799 6.120 -6.552 1.00 0.00 C ATOM 309 O VAL A 28 -1.693 5.730 -6.923 1.00 0.00 O ATOM 310 CB VAL A 28 -3.737 6.172 -4.240 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.960 4.938 -3.806 1.00 0.00 C ATOM 312 CG2 VAL A 28 -4.070 7.049 -3.041 1.00 0.00 C ATOM 0 H VAL A 28 -4.480 8.382 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.950 7.193 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.674 5.846 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.537 4.388 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.779 4.299 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.007 5.242 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.632 6.468 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.147 7.409 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.670 7.899 -3.367 1.00 0.00 H new ATOM 322 N GLN A 29 -3.922 5.835 -7.209 1.00 0.00 N ATOM 323 CA GLN A 29 -3.915 5.031 -8.422 1.00 0.00 C ATOM 324 C GLN A 29 -2.881 5.543 -9.418 1.00 0.00 C ATOM 325 O GLN A 29 -2.276 4.762 -10.152 1.00 0.00 O ATOM 326 CB GLN A 29 -5.305 5.027 -9.058 1.00 0.00 C ATOM 327 CG GLN A 29 -5.832 6.414 -9.384 1.00 0.00 C ATOM 328 CD GLN A 29 -6.717 6.425 -10.615 1.00 0.00 C ATOM 329 OE1 GLN A 29 -8.005 6.679 -10.415 1.00 0.00 O flip ATOM 330 NE2 GLN A 29 -6.249 6.207 -11.733 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.847 6.151 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.643 4.011 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.274 4.435 -9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.003 4.533 -8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.396 6.794 -8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.992 7.091 -9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.253 6.016 -11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.858 6.217 -12.551 1.00 0.00 H new ATOM 339 N GLU A 30 -2.672 6.855 -9.433 1.00 0.00 N ATOM 340 CA GLU A 30 -1.696 7.459 -10.333 1.00 0.00 C ATOM 341 C GLU A 30 -0.290 7.007 -9.958 1.00 0.00 C ATOM 342 O GLU A 30 0.505 6.618 -10.816 1.00 0.00 O ATOM 343 CB GLU A 30 -1.794 8.985 -10.280 1.00 0.00 C ATOM 344 CG GLU A 30 -2.449 9.595 -11.509 1.00 0.00 C ATOM 345 CD GLU A 30 -1.641 9.371 -12.773 1.00 0.00 C ATOM 346 OE1 GLU A 30 -0.815 8.435 -12.790 1.00 0.00 O ATOM 347 OE2 GLU A 30 -1.835 10.132 -13.744 1.00 0.00 O ATOM 0 H GLU A 30 -3.163 7.519 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.911 7.134 -11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.361 9.274 -9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.793 9.402 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.443 9.166 -11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.581 10.665 -11.352 1.00 0.00 H new ATOM 354 N MET A 31 0.004 7.049 -8.665 1.00 0.00 N ATOM 355 CA MET A 31 1.306 6.636 -8.163 1.00 0.00 C ATOM 356 C MET A 31 1.495 5.133 -8.355 1.00 0.00 C ATOM 357 O MET A 31 2.543 4.681 -8.815 1.00 0.00 O ATOM 358 CB MET A 31 1.437 7.000 -6.681 1.00 0.00 C ATOM 359 CG MET A 31 2.672 6.423 -6.005 1.00 0.00 C ATOM 360 SD MET A 31 2.673 6.684 -4.221 1.00 0.00 S ATOM 361 CE MET A 31 1.018 6.146 -3.797 1.00 0.00 C ATOM 0 H MET A 31 -0.644 7.366 -7.944 1.00 0.00 H new ATOM 0 HA MET A 31 2.080 7.159 -8.724 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.458 8.086 -6.585 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.550 6.650 -6.153 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.729 5.354 -6.212 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.564 6.879 -6.436 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.035 5.645 -2.829 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.356 7.011 -3.747 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.654 5.454 -4.557 1.00 0.00 H new ATOM 371 N ILE A 32 0.468 4.365 -8.001 1.00 0.00 N ATOM 372 CA ILE A 32 0.517 2.915 -8.131 1.00 0.00 C ATOM 373 C ILE A 32 0.627 2.492 -9.592 1.00 0.00 C ATOM 374 O ILE A 32 1.574 1.810 -9.978 1.00 0.00 O ATOM 375 CB ILE A 32 -0.727 2.249 -7.508 1.00 0.00 C ATOM 376 CG1 ILE A 32 -0.941 2.739 -6.071 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.592 0.731 -7.542 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.332 2.821 -5.254 1.00 0.00 C ATOM 0 H ILE A 32 -0.408 4.725 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 32 1.405 2.584 -7.593 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.599 2.531 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.407 3.724 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.640 2.070 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.478 0.277 -7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.492 0.398 -8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.291 0.431 -6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.098 3.175 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.789 1.833 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.026 3.513 -5.730 1.00 0.00 H new ATOM 390 N ARG A 33 -0.347 2.898 -10.403 1.00 0.00 N ATOM 391 CA ARG A 33 -0.353 2.555 -11.819 1.00 0.00 C ATOM 392 C ARG A 33 0.992 2.878 -12.465 1.00 0.00 C ATOM 393 O ARG A 33 1.442 2.176 -13.371 1.00 0.00 O ATOM 394 CB ARG A 33 -1.482 3.297 -12.537 1.00 0.00 C ATOM 395 CG ARG A 33 -1.245 4.791 -12.679 1.00 0.00 C ATOM 396 CD ARG A 33 -0.620 5.134 -14.020 1.00 0.00 C ATOM 397 NE ARG A 33 -1.492 4.781 -15.139 1.00 0.00 N ATOM 398 CZ ARG A 33 -1.364 5.282 -16.365 1.00 0.00 C ATOM 399 NH1 ARG A 33 -0.403 6.156 -16.637 1.00 0.00 N ATOM 400 NH2 ARG A 33 -2.199 4.906 -17.325 1.00 0.00 N ATOM 0 H ARG A 33 -1.140 3.464 -10.102 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.522 1.482 -11.910 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.615 2.864 -13.529 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.413 3.137 -11.992 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.191 5.322 -12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.594 5.135 -11.875 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.400 6.201 -14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.330 4.609 -14.122 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.243 4.111 -14.970 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.243 6.448 -15.904 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.311 6.536 -17.579 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.939 4.233 -17.123 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.101 5.290 -18.265 1.00 0.00 H new ATOM 414 N GLN A 34 1.639 3.934 -11.979 1.00 0.00 N ATOM 415 CA GLN A 34 2.939 4.333 -12.500 1.00 0.00 C ATOM 416 C GLN A 34 4.017 3.385 -11.987 1.00 0.00 C ATOM 417 O GLN A 34 5.043 3.183 -12.636 1.00 0.00 O ATOM 418 CB GLN A 34 3.263 5.769 -12.087 1.00 0.00 C ATOM 419 CG GLN A 34 4.319 6.428 -12.961 1.00 0.00 C ATOM 420 CD GLN A 34 3.937 7.836 -13.376 1.00 0.00 C ATOM 421 OE1 GLN A 34 4.648 8.796 -13.079 1.00 0.00 O ATOM 422 NE2 GLN A 34 2.810 7.963 -14.066 1.00 0.00 N ATOM 0 H GLN A 34 1.284 4.526 -11.228 1.00 0.00 H new ATOM 0 HA GLN A 34 2.909 4.284 -13.588 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.350 6.364 -12.123 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.605 5.773 -11.052 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.266 6.456 -12.422 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.478 5.821 -13.852 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.253 7.138 -14.289 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.501 8.885 -14.373 1.00 0.00 H new ATOM 431 N LEU A 35 3.767 2.804 -10.819 1.00 0.00 N ATOM 432 CA LEU A 35 4.700 1.873 -10.209 1.00 0.00 C ATOM 433 C LEU A 35 4.554 0.480 -10.815 1.00 0.00 C ATOM 434 O LEU A 35 5.534 -0.254 -10.952 1.00 0.00 O ATOM 435 CB LEU A 35 4.464 1.809 -8.699 1.00 0.00 C ATOM 436 CG LEU A 35 5.008 2.995 -7.904 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.756 2.800 -6.416 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.490 3.181 -8.177 1.00 0.00 C ATOM 0 H LEU A 35 2.919 2.965 -10.275 1.00 0.00 H new ATOM 0 HA LEU A 35 5.712 2.229 -10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.392 1.732 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.918 0.896 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 35 4.484 3.896 -8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.150 3.654 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.684 2.716 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.253 1.890 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.862 4.030 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.030 2.280 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.644 3.366 -9.240 1.00 0.00 H new ATOM 450 N GLU A 36 3.325 0.121 -11.171 1.00 0.00 N ATOM 451 CA GLU A 36 3.047 -1.186 -11.758 1.00 0.00 C ATOM 452 C GLU A 36 3.627 -1.293 -13.163 1.00 0.00 C ATOM 453 O GLU A 36 4.134 -2.342 -13.560 1.00 0.00 O ATOM 454 CB GLU A 36 1.538 -1.440 -11.801 1.00 0.00 C ATOM 455 CG GLU A 36 0.860 -1.325 -10.445 1.00 0.00 C ATOM 456 CD GLU A 36 -0.613 -1.683 -10.498 1.00 0.00 C ATOM 457 OE1 GLU A 36 -1.342 -1.081 -11.313 1.00 0.00 O ATOM 458 OE2 GLU A 36 -1.036 -2.567 -9.724 1.00 0.00 O ATOM 0 H GLU A 36 2.504 0.717 -11.063 1.00 0.00 H new ATOM 0 HA GLU A 36 3.522 -1.941 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.078 -0.730 -12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.358 -2.436 -12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.364 -1.980 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.970 -0.306 -10.073 1.00 0.00 H new ATOM 465 N GLN A 37 3.541 -0.203 -13.915 1.00 0.00 N ATOM 466 CA GLN A 37 4.050 -0.170 -15.278 1.00 0.00 C ATOM 467 C GLN A 37 5.562 -0.389 -15.321 1.00 0.00 C ATOM 468 O GLN A 37 6.121 -0.687 -16.376 1.00 0.00 O ATOM 469 CB GLN A 37 3.698 1.166 -15.929 1.00 0.00 C ATOM 470 CG GLN A 37 4.143 2.374 -15.119 1.00 0.00 C ATOM 471 CD GLN A 37 4.171 3.647 -15.940 1.00 0.00 C ATOM 472 OE1 GLN A 37 3.337 4.535 -15.760 1.00 0.00 O ATOM 473 NE2 GLN A 37 5.135 3.744 -16.849 1.00 0.00 N ATOM 0 H GLN A 37 3.122 0.672 -13.601 1.00 0.00 H new ATOM 0 HA GLN A 37 3.581 -0.983 -15.831 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.158 1.212 -16.916 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.619 1.216 -16.077 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.470 2.507 -14.272 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.136 2.187 -14.711 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.805 2.984 -16.965 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.205 4.579 -17.431 1.00 0.00 H new ATOM 482 N THR A 38 6.221 -0.236 -14.174 1.00 0.00 N ATOM 483 CA THR A 38 7.668 -0.417 -14.095 1.00 0.00 C ATOM 484 C THR A 38 8.082 -1.792 -14.611 1.00 0.00 C ATOM 485 O THR A 38 8.154 -2.756 -13.849 1.00 0.00 O ATOM 486 CB THR A 38 8.148 -0.238 -12.653 1.00 0.00 C ATOM 487 OG1 THR A 38 7.624 -1.256 -11.820 1.00 0.00 O ATOM 488 CG2 THR A 38 7.758 1.095 -12.053 1.00 0.00 C ATOM 0 H THR A 38 5.777 0.012 -13.290 1.00 0.00 H new ATOM 0 HA THR A 38 8.133 0.340 -14.726 1.00 0.00 H new ATOM 0 HB THR A 38 9.236 -0.290 -12.702 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.059 -0.854 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.129 1.156 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.191 1.901 -12.645 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.672 1.189 -12.051 1.00 0.00 H new ATOM 496 N ASN A 39 8.353 -1.873 -15.910 1.00 0.00 N ATOM 497 CA ASN A 39 8.763 -3.129 -16.532 1.00 0.00 C ATOM 498 C ASN A 39 7.681 -4.199 -16.398 1.00 0.00 C ATOM 499 O ASN A 39 7.951 -5.388 -16.568 1.00 0.00 O ATOM 500 CB ASN A 39 10.067 -3.627 -15.907 1.00 0.00 C ATOM 501 CG ASN A 39 11.218 -2.666 -16.127 1.00 0.00 C ATOM 502 OD1 ASN A 39 11.303 -2.005 -17.163 1.00 0.00 O ATOM 503 ND2 ASN A 39 12.113 -2.581 -15.149 1.00 0.00 N ATOM 0 H ASN A 39 8.296 -1.084 -16.553 1.00 0.00 H new ATOM 0 HA ASN A 39 8.920 -2.938 -17.594 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.920 -3.775 -14.837 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.322 -4.598 -16.331 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.909 -1.950 -15.240 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.004 -3.147 -14.307 1.00 0.00 H new ATOM 510 N TYR A 40 6.454 -3.775 -16.096 1.00 0.00 N ATOM 511 CA TYR A 40 5.335 -4.702 -15.944 1.00 0.00 C ATOM 512 C TYR A 40 5.715 -5.897 -15.072 1.00 0.00 C ATOM 513 O TYR A 40 5.465 -7.047 -15.434 1.00 0.00 O ATOM 514 CB TYR A 40 4.860 -5.187 -17.316 1.00 0.00 C ATOM 515 CG TYR A 40 4.092 -4.146 -18.097 1.00 0.00 C ATOM 516 CD1 TYR A 40 4.754 -3.134 -18.782 1.00 0.00 C ATOM 517 CD2 TYR A 40 2.703 -4.173 -18.149 1.00 0.00 C ATOM 518 CE1 TYR A 40 4.055 -2.181 -19.498 1.00 0.00 C ATOM 519 CE2 TYR A 40 1.997 -3.223 -18.862 1.00 0.00 C ATOM 520 CZ TYR A 40 2.677 -2.229 -19.535 1.00 0.00 C ATOM 521 OH TYR A 40 1.977 -1.282 -20.245 1.00 0.00 O ATOM 0 H TYR A 40 6.211 -2.795 -15.952 1.00 0.00 H new ATOM 0 HA TYR A 40 4.524 -4.167 -15.450 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.725 -5.501 -17.900 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.230 -6.066 -17.182 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.833 -3.092 -18.754 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.167 -4.949 -17.623 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.585 -1.402 -20.026 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.918 -3.258 -18.892 1.00 0.00 H new ATOM 0 HH TYR A 40 1.016 -1.460 -20.169 1.00 0.00 H new ATOM 531 N ARG A 41 6.320 -5.619 -13.921 1.00 0.00 N ATOM 532 CA ARG A 41 6.734 -6.674 -13.001 1.00 0.00 C ATOM 533 C ARG A 41 6.008 -6.551 -11.666 1.00 0.00 C ATOM 534 O ARG A 41 5.626 -7.554 -11.061 1.00 0.00 O ATOM 535 CB ARG A 41 8.250 -6.624 -12.781 1.00 0.00 C ATOM 536 CG ARG A 41 8.712 -5.407 -11.995 1.00 0.00 C ATOM 537 CD ARG A 41 10.222 -5.404 -11.807 1.00 0.00 C ATOM 538 NE ARG A 41 10.600 -5.625 -10.414 1.00 0.00 N ATOM 539 CZ ARG A 41 11.791 -5.311 -9.909 1.00 0.00 C ATOM 540 NH1 ARG A 41 12.724 -4.763 -10.680 1.00 0.00 N ATOM 541 NH2 ARG A 41 12.050 -5.544 -8.629 1.00 0.00 N ATOM 0 H ARG A 41 6.534 -4.674 -13.603 1.00 0.00 H new ATOM 0 HA ARG A 41 6.471 -7.633 -13.447 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.562 -7.526 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.750 -6.631 -13.750 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.407 -4.499 -12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.223 -5.395 -11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.667 -6.180 -12.431 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.628 -4.451 -12.146 1.00 0.00 H new ATOM 0 HE ARG A 41 9.910 -6.045 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.530 -4.581 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.635 -4.525 -10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.337 -5.963 -8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.962 -5.304 -8.241 1.00 0.00 H new ATOM 555 N LEU A 42 5.824 -5.317 -11.207 1.00 0.00 N ATOM 556 CA LEU A 42 5.145 -5.065 -9.940 1.00 0.00 C ATOM 557 C LEU A 42 3.649 -5.337 -10.056 1.00 0.00 C ATOM 558 O LEU A 42 2.981 -4.821 -10.953 1.00 0.00 O ATOM 559 CB LEU A 42 5.380 -3.622 -9.491 1.00 0.00 C ATOM 560 CG LEU A 42 4.772 -3.258 -8.135 1.00 0.00 C ATOM 561 CD1 LEU A 42 5.751 -3.565 -7.012 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.369 -1.792 -8.108 1.00 0.00 C ATOM 0 H LEU A 42 6.135 -4.476 -11.693 1.00 0.00 H new ATOM 0 HA LEU A 42 5.560 -5.744 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.454 -3.441 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.971 -2.951 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 42 3.877 -3.862 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.302 -3.300 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.990 -4.628 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.664 -2.987 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.938 -1.551 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.247 -1.170 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.632 -1.603 -8.888 1.00 0.00 H new ATOM 574 N LYS A 43 3.130 -6.147 -9.140 1.00 0.00 N ATOM 575 CA LYS A 43 1.712 -6.488 -9.131 1.00 0.00 C ATOM 576 C LYS A 43 1.059 -6.043 -7.827 1.00 0.00 C ATOM 577 O LYS A 43 1.292 -6.635 -6.771 1.00 0.00 O ATOM 578 CB LYS A 43 1.527 -7.994 -9.324 1.00 0.00 C ATOM 579 CG LYS A 43 2.414 -8.584 -10.409 1.00 0.00 C ATOM 580 CD LYS A 43 1.857 -8.309 -11.798 1.00 0.00 C ATOM 581 CE LYS A 43 2.632 -7.207 -12.505 1.00 0.00 C ATOM 582 NZ LYS A 43 3.038 -7.610 -13.880 1.00 0.00 N ATOM 0 H LYS A 43 3.671 -6.581 -8.392 1.00 0.00 H new ATOM 0 HA LYS A 43 1.229 -5.964 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.735 -8.501 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.484 -8.195 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.417 -8.164 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.506 -9.660 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.896 -9.221 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.808 -8.024 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.019 -6.307 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.519 -6.956 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.076 -7.615 -13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.673 -8.562 -14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.650 -6.934 -14.569 1.00 0.00 H new ATOM 596 N LEU A 44 0.248 -4.994 -7.904 1.00 0.00 N ATOM 597 CA LEU A 44 -0.431 -4.467 -6.725 1.00 0.00 C ATOM 598 C LEU A 44 -1.937 -4.697 -6.803 1.00 0.00 C ATOM 599 O LEU A 44 -2.475 -5.013 -7.864 1.00 0.00 O ATOM 600 CB LEU A 44 -0.140 -2.973 -6.572 1.00 0.00 C ATOM 601 CG LEU A 44 1.123 -2.641 -5.778 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.685 -1.298 -6.206 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.833 -2.639 -4.289 1.00 0.00 C ATOM 0 H LEU A 44 0.045 -4.492 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.050 -5.000 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.054 -2.531 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.993 -2.500 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 44 1.867 -3.410 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.584 -1.079 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.933 -1.329 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.942 -0.520 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.745 -2.401 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.071 -1.892 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.475 -3.623 -3.987 1.00 0.00 H new ATOM 615 N CYS A 45 -2.607 -4.531 -5.668 1.00 0.00 N ATOM 616 CA CYS A 45 -4.052 -4.713 -5.592 1.00 0.00 C ATOM 617 C CYS A 45 -4.714 -3.494 -4.962 1.00 0.00 C ATOM 618 O CYS A 45 -4.034 -2.614 -4.438 1.00 0.00 O ATOM 619 CB CYS A 45 -4.382 -5.962 -4.775 1.00 0.00 C ATOM 620 SG CYS A 45 -3.571 -7.479 -5.375 1.00 0.00 S ATOM 0 H CYS A 45 -2.170 -4.270 -4.784 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.437 -4.835 -6.605 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.090 -5.793 -3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.461 -6.113 -4.782 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.182 -8.193 -4.361 1.00 0.00 H new ATOM 625 N VAL A 46 -6.041 -3.445 -5.010 1.00 0.00 N ATOM 626 CA VAL A 46 -6.774 -2.326 -4.431 1.00 0.00 C ATOM 627 C VAL A 46 -8.035 -2.800 -3.711 1.00 0.00 C ATOM 628 O VAL A 46 -8.296 -3.999 -3.618 1.00 0.00 O ATOM 629 CB VAL A 46 -7.149 -1.275 -5.496 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.911 -0.835 -6.264 1.00 0.00 C ATOM 631 CG2 VAL A 46 -8.212 -1.810 -6.446 1.00 0.00 C ATOM 0 H VAL A 46 -6.627 -4.161 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.108 -1.859 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.567 -0.408 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.191 -0.093 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.190 -0.399 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.464 -1.697 -6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.456 -1.047 -7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.834 -2.698 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.108 -2.068 -5.881 1.00 0.00 H new ATOM 641 N SER A 47 -8.810 -1.849 -3.199 1.00 0.00 N ATOM 642 CA SER A 47 -10.042 -2.166 -2.483 1.00 0.00 C ATOM 643 C SER A 47 -11.012 -2.937 -3.374 1.00 0.00 C ATOM 644 O SER A 47 -11.123 -4.158 -3.273 1.00 0.00 O ATOM 645 CB SER A 47 -10.704 -0.885 -1.974 1.00 0.00 C ATOM 646 OG SER A 47 -11.999 -1.149 -1.461 1.00 0.00 O ATOM 0 H SER A 47 -8.607 -0.852 -3.266 1.00 0.00 H new ATOM 0 HA SER A 47 -9.784 -2.797 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.086 -0.437 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.772 -0.160 -2.785 1.00 0.00 H new ATOM 0 HG SER A 47 -12.400 -0.314 -1.140 1.00 0.00 H new ATOM 652 N ASP A 48 -11.713 -2.218 -4.246 1.00 0.00 N ATOM 653 CA ASP A 48 -12.674 -2.837 -5.149 1.00 0.00 C ATOM 654 C ASP A 48 -12.857 -1.996 -6.410 1.00 0.00 C ATOM 655 O ASP A 48 -12.090 -1.070 -6.667 1.00 0.00 O ATOM 656 CB ASP A 48 -14.020 -3.025 -4.442 1.00 0.00 C ATOM 657 CG ASP A 48 -14.544 -4.443 -4.564 1.00 0.00 C ATOM 658 OD1 ASP A 48 -13.737 -5.387 -4.440 1.00 0.00 O ATOM 659 OD2 ASP A 48 -15.763 -4.606 -4.782 1.00 0.00 O ATOM 0 H ASP A 48 -11.632 -1.206 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.286 -3.813 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.912 -2.770 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.749 -2.334 -4.865 1.00 0.00 H new ATOM 664 N ARG A 49 -13.880 -2.326 -7.191 1.00 0.00 N ATOM 665 CA ARG A 49 -14.164 -1.602 -8.424 1.00 0.00 C ATOM 666 C ARG A 49 -15.216 -0.520 -8.190 1.00 0.00 C ATOM 667 O ARG A 49 -16.330 -0.600 -8.709 1.00 0.00 O ATOM 668 CB ARG A 49 -14.639 -2.568 -9.513 1.00 0.00 C ATOM 669 CG ARG A 49 -14.338 -2.091 -10.923 1.00 0.00 C ATOM 670 CD ARG A 49 -15.161 -2.844 -11.957 1.00 0.00 C ATOM 671 NE ARG A 49 -14.322 -3.444 -12.993 1.00 0.00 N ATOM 672 CZ ARG A 49 -13.596 -4.545 -12.814 1.00 0.00 C ATOM 673 NH1 ARG A 49 -13.604 -5.169 -11.643 1.00 0.00 N ATOM 674 NH2 ARG A 49 -12.861 -5.022 -13.808 1.00 0.00 N ATOM 0 H ARG A 49 -14.526 -3.090 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.243 -1.122 -8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.166 -3.538 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.714 -2.717 -9.411 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.546 -1.024 -10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.277 -2.225 -11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.739 -3.624 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.875 -2.162 -12.419 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.291 -2.992 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.168 -4.805 -10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.046 -6.012 -11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.852 -4.545 -14.710 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.304 -5.866 -13.671 1.00 0.00 H new ATOM 688 N ASP A 50 -14.855 0.487 -7.404 1.00 0.00 N ATOM 689 CA ASP A 50 -15.764 1.585 -7.101 1.00 0.00 C ATOM 690 C ASP A 50 -14.989 2.862 -6.790 1.00 0.00 C ATOM 691 O ASP A 50 -15.379 3.643 -5.923 1.00 0.00 O ATOM 692 CB ASP A 50 -16.663 1.219 -5.917 1.00 0.00 C ATOM 693 CG ASP A 50 -18.100 1.651 -6.128 1.00 0.00 C ATOM 694 OD1 ASP A 50 -18.426 2.812 -5.798 1.00 0.00 O ATOM 695 OD2 ASP A 50 -18.901 0.830 -6.623 1.00 0.00 O ATOM 0 H ASP A 50 -13.938 0.566 -6.964 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.385 1.763 -7.979 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -16.630 0.141 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.275 1.686 -5.012 1.00 0.00 H new ATOM 700 N VAL A 51 -13.888 3.066 -7.505 1.00 0.00 N ATOM 701 CA VAL A 51 -13.055 4.247 -7.304 1.00 0.00 C ATOM 702 C VAL A 51 -12.436 4.720 -8.615 1.00 0.00 C ATOM 703 O VAL A 51 -12.419 5.916 -8.909 1.00 0.00 O ATOM 704 CB VAL A 51 -11.929 3.986 -6.281 1.00 0.00 C ATOM 705 CG1 VAL A 51 -12.416 4.272 -4.868 1.00 0.00 C ATOM 706 CG2 VAL A 51 -11.408 2.559 -6.394 1.00 0.00 C ATOM 0 H VAL A 51 -13.552 2.430 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.712 5.025 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.104 4.662 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.609 4.083 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.727 5.314 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.262 3.624 -4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.616 2.402 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.221 1.859 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.014 2.394 -7.397 1.00 0.00 H new ATOM 716 N LEU A 52 -11.926 3.778 -9.403 1.00 0.00 N ATOM 717 CA LEU A 52 -11.306 4.104 -10.681 1.00 0.00 C ATOM 718 C LEU A 52 -12.335 4.069 -11.813 1.00 0.00 C ATOM 719 O LEU A 52 -12.843 3.004 -12.163 1.00 0.00 O ATOM 720 CB LEU A 52 -10.170 3.125 -10.984 1.00 0.00 C ATOM 721 CG LEU A 52 -8.941 3.260 -10.083 1.00 0.00 C ATOM 722 CD1 LEU A 52 -9.277 2.843 -8.661 1.00 0.00 C ATOM 723 CD2 LEU A 52 -7.788 2.430 -10.626 1.00 0.00 C ATOM 0 H LEU A 52 -11.930 2.783 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.901 5.114 -10.612 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.554 2.109 -10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.859 3.262 -12.020 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.634 4.306 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.392 2.945 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.072 3.480 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.608 1.805 -8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.922 2.538 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.083 1.381 -10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.532 2.775 -11.628 1.00 0.00 H new ATOM 735 N PRO A 53 -12.659 5.236 -12.401 1.00 0.00 N ATOM 736 CA PRO A 53 -13.633 5.321 -13.495 1.00 0.00 C ATOM 737 C PRO A 53 -13.288 4.386 -14.649 1.00 0.00 C ATOM 738 O PRO A 53 -12.293 4.586 -15.347 1.00 0.00 O ATOM 739 CB PRO A 53 -13.541 6.782 -13.947 1.00 0.00 C ATOM 740 CG PRO A 53 -13.023 7.515 -12.759 1.00 0.00 C ATOM 741 CD PRO A 53 -12.105 6.558 -12.051 1.00 0.00 C ATOM 0 HA PRO A 53 -14.631 5.024 -13.173 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.873 6.891 -14.801 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.515 7.163 -14.254 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.490 8.417 -13.059 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.839 7.828 -12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.074 6.665 -12.389 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.106 6.722 -10.973 1.00 0.00 H new ATOM 749 N GLY A 54 -14.117 3.366 -14.846 1.00 0.00 N ATOM 750 CA GLY A 54 -13.883 2.417 -15.919 1.00 0.00 C ATOM 751 C GLY A 54 -13.813 0.986 -15.420 1.00 0.00 C ATOM 752 O GLY A 54 -13.929 0.733 -14.221 1.00 0.00 O ATOM 0 H GLY A 54 -14.946 3.180 -14.282 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.681 2.503 -16.657 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.951 2.668 -16.426 1.00 0.00 H new ATOM 756 N THR A 55 -13.620 0.049 -16.344 1.00 0.00 N ATOM 757 CA THR A 55 -13.534 -1.364 -15.992 1.00 0.00 C ATOM 758 C THR A 55 -12.292 -2.003 -16.609 1.00 0.00 C ATOM 759 O THR A 55 -12.382 -2.720 -17.605 1.00 0.00 O ATOM 760 CB THR A 55 -14.789 -2.103 -16.458 1.00 0.00 C ATOM 761 OG1 THR A 55 -14.653 -3.499 -16.253 1.00 0.00 O ATOM 762 CG2 THR A 55 -15.107 -1.882 -17.920 1.00 0.00 C ATOM 0 H THR A 55 -13.520 0.243 -17.340 1.00 0.00 H new ATOM 0 HA THR A 55 -13.458 -1.440 -14.907 1.00 0.00 H new ATOM 0 HB THR A 55 -15.604 -1.693 -15.861 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.466 -3.955 -16.556 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.009 -2.435 -18.184 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.267 -0.819 -18.101 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.275 -2.233 -18.530 1.00 0.00 H new ATOM 770 N CYS A 56 -11.136 -1.736 -16.012 1.00 0.00 N ATOM 771 CA CYS A 56 -9.877 -2.284 -16.503 1.00 0.00 C ATOM 772 C CYS A 56 -8.718 -1.882 -15.597 1.00 0.00 C ATOM 773 O CYS A 56 -7.716 -1.334 -16.059 1.00 0.00 O ATOM 774 CB CYS A 56 -9.615 -1.811 -17.934 1.00 0.00 C ATOM 775 SG CYS A 56 -8.549 -2.913 -18.892 1.00 0.00 S ATOM 0 H CYS A 56 -11.045 -1.143 -15.187 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.955 -3.371 -16.498 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.569 -1.706 -18.451 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.160 -0.821 -17.900 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.388 -2.429 -20.088 1.00 0.00 H new ATOM 781 N VAL A 57 -8.861 -2.155 -14.304 1.00 0.00 N ATOM 782 CA VAL A 57 -7.826 -1.820 -13.334 1.00 0.00 C ATOM 783 C VAL A 57 -7.457 -3.033 -12.486 1.00 0.00 C ATOM 784 O VAL A 57 -8.104 -4.077 -12.560 1.00 0.00 O ATOM 785 CB VAL A 57 -8.273 -0.676 -12.405 1.00 0.00 C ATOM 786 CG1 VAL A 57 -8.450 0.614 -13.192 1.00 0.00 C ATOM 787 CG2 VAL A 57 -9.561 -1.049 -11.683 1.00 0.00 C ATOM 0 H VAL A 57 -9.683 -2.607 -13.904 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.954 -1.495 -13.902 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.496 -0.514 -11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.766 1.411 -12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.504 0.888 -13.659 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.207 0.469 -13.963 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.863 -0.230 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.346 -1.239 -12.415 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.397 -1.946 -11.086 1.00 0.00 H new ATOM 797 N TRP A 58 -6.409 -2.886 -11.680 1.00 0.00 N ATOM 798 CA TRP A 58 -5.951 -3.968 -10.817 1.00 0.00 C ATOM 799 C TRP A 58 -6.688 -3.949 -9.481 1.00 0.00 C ATOM 800 O TRP A 58 -6.570 -2.996 -8.711 1.00 0.00 O ATOM 801 CB TRP A 58 -4.442 -3.855 -10.587 1.00 0.00 C ATOM 802 CG TRP A 58 -3.679 -5.051 -11.065 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.967 -6.361 -10.807 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.502 -5.051 -11.880 1.00 0.00 C ATOM 805 NE1 TRP A 58 -3.040 -7.174 -11.413 1.00 0.00 N ATOM 806 CE2 TRP A 58 -2.131 -6.394 -12.078 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.728 -4.044 -12.463 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -1.019 -6.755 -12.834 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.624 -4.405 -13.213 1.00 0.00 C ATOM 810 CH2 TRP A 58 -0.279 -5.750 -13.394 1.00 0.00 C ATOM 0 H TRP A 58 -5.862 -2.028 -11.607 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.167 -4.915 -11.313 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.069 -2.967 -11.097 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.253 -3.714 -9.523 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.801 -6.707 -10.214 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.030 -8.193 -11.374 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.987 -3.004 -12.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.750 -7.792 -12.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.017 -3.636 -13.667 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.588 -5.999 -13.987 1.00 0.00 H new ATOM 821 N SER A 59 -7.446 -5.007 -9.213 1.00 0.00 N ATOM 822 CA SER A 59 -8.201 -5.110 -7.970 1.00 0.00 C ATOM 823 C SER A 59 -8.123 -6.522 -7.402 1.00 0.00 C ATOM 824 O SER A 59 -7.847 -7.479 -8.125 1.00 0.00 O ATOM 825 CB SER A 59 -9.662 -4.721 -8.205 1.00 0.00 C ATOM 826 OG SER A 59 -10.040 -4.947 -9.552 1.00 0.00 O ATOM 0 H SER A 59 -7.554 -5.805 -9.840 1.00 0.00 H new ATOM 0 HA SER A 59 -7.761 -4.423 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.306 -5.298 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.806 -3.670 -7.955 1.00 0.00 H new ATOM 0 HG SER A 59 -10.978 -4.692 -9.676 1.00 0.00 H new ATOM 832 N ILE A 60 -8.368 -6.647 -6.101 1.00 0.00 N ATOM 833 CA ILE A 60 -8.325 -7.941 -5.437 1.00 0.00 C ATOM 834 C ILE A 60 -9.243 -7.966 -4.216 1.00 0.00 C ATOM 835 O ILE A 60 -9.647 -6.918 -3.710 1.00 0.00 O ATOM 836 CB ILE A 60 -6.882 -8.306 -5.007 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.627 -9.804 -5.219 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.623 -7.908 -3.555 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.504 -10.365 -4.370 1.00 0.00 C ATOM 0 H ILE A 60 -8.598 -5.866 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.674 -8.681 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.186 -7.745 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.543 -10.352 -5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.395 -9.977 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.603 -8.176 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.758 -6.832 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.323 -8.431 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.387 -11.428 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.575 -9.845 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.741 -10.226 -3.315 1.00 0.00 H new ATOM 851 N ALA A 61 -9.555 -9.166 -3.741 1.00 0.00 N ATOM 852 CA ALA A 61 -10.409 -9.325 -2.573 1.00 0.00 C ATOM 853 C ALA A 61 -9.586 -9.226 -1.294 1.00 0.00 C ATOM 854 O ALA A 61 -8.409 -9.588 -1.274 1.00 0.00 O ATOM 855 CB ALA A 61 -11.147 -10.653 -2.633 1.00 0.00 C ATOM 0 H ALA A 61 -9.229 -10.043 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.146 -8.522 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.781 -10.757 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.764 -10.686 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.425 -11.469 -2.659 1.00 0.00 H new ATOM 861 N SER A 62 -10.204 -8.728 -0.231 1.00 0.00 N ATOM 862 CA SER A 62 -9.518 -8.576 1.048 1.00 0.00 C ATOM 863 C SER A 62 -9.160 -9.931 1.657 1.00 0.00 C ATOM 864 O SER A 62 -8.361 -10.006 2.590 1.00 0.00 O ATOM 865 CB SER A 62 -10.387 -7.780 2.023 1.00 0.00 C ATOM 866 OG SER A 62 -10.627 -6.470 1.540 1.00 0.00 O ATOM 0 H SER A 62 -11.177 -8.423 -0.228 1.00 0.00 H new ATOM 0 HA SER A 62 -8.591 -8.033 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.336 -8.295 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.895 -7.728 2.994 1.00 0.00 H new ATOM 0 HG SER A 62 -11.186 -5.983 2.180 1.00 0.00 H new ATOM 872 N GLU A 63 -9.753 -11.000 1.131 1.00 0.00 N ATOM 873 CA GLU A 63 -9.486 -12.341 1.636 1.00 0.00 C ATOM 874 C GLU A 63 -8.281 -12.967 0.937 1.00 0.00 C ATOM 875 O GLU A 63 -7.695 -13.927 1.439 1.00 0.00 O ATOM 876 CB GLU A 63 -10.717 -13.232 1.454 1.00 0.00 C ATOM 877 CG GLU A 63 -11.283 -13.205 0.044 1.00 0.00 C ATOM 878 CD GLU A 63 -11.699 -14.580 -0.444 1.00 0.00 C ATOM 879 OE1 GLU A 63 -10.822 -15.461 -0.554 1.00 0.00 O ATOM 880 OE2 GLU A 63 -12.902 -14.774 -0.715 1.00 0.00 O ATOM 0 H GLU A 63 -10.418 -10.963 0.359 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.258 -12.258 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.454 -14.258 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.491 -12.916 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.144 -12.537 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.537 -12.793 -0.635 1.00 0.00 H new ATOM 887 N LEU A 64 -7.916 -12.424 -0.221 1.00 0.00 N ATOM 888 CA LEU A 64 -6.787 -12.937 -0.979 1.00 0.00 C ATOM 889 C LEU A 64 -5.504 -12.172 -0.657 1.00 0.00 C ATOM 890 O LEU A 64 -4.443 -12.471 -1.204 1.00 0.00 O ATOM 891 CB LEU A 64 -7.072 -12.851 -2.479 1.00 0.00 C ATOM 892 CG LEU A 64 -8.549 -12.791 -2.867 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.701 -12.637 -4.374 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.275 -14.033 -2.381 1.00 0.00 C ATOM 0 H LEU A 64 -8.388 -11.629 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.645 -13.980 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.574 -11.966 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.621 -13.715 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.996 -11.920 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.760 -12.596 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.214 -11.717 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.239 -13.487 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.326 -13.975 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.825 -14.917 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.196 -14.100 -1.296 1.00 0.00 H new ATOM 906 N ILE A 65 -5.603 -11.181 0.226 1.00 0.00 N ATOM 907 CA ILE A 65 -4.445 -10.382 0.602 1.00 0.00 C ATOM 908 C ILE A 65 -3.446 -11.203 1.414 1.00 0.00 C ATOM 909 O ILE A 65 -2.311 -11.413 0.990 1.00 0.00 O ATOM 910 CB ILE A 65 -4.854 -9.140 1.418 1.00 0.00 C ATOM 911 CG1 ILE A 65 -5.951 -8.364 0.686 1.00 0.00 C ATOM 912 CG2 ILE A 65 -3.645 -8.251 1.671 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.371 -7.095 1.397 1.00 0.00 C ATOM 0 H ILE A 65 -6.471 -10.915 0.692 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.975 -10.058 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.246 -9.467 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.600 -8.111 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.822 -9.008 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.950 -7.378 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.893 -8.810 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.225 -7.928 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.151 -6.597 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.753 -7.342 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.512 -6.431 1.494 1.00 0.00 H new ATOM 925 N GLU A 66 -3.877 -11.658 2.585 1.00 0.00 N ATOM 926 CA GLU A 66 -3.027 -12.449 3.461 1.00 0.00 C ATOM 927 C GLU A 66 -2.643 -13.782 2.821 1.00 0.00 C ATOM 928 O GLU A 66 -1.711 -14.447 3.270 1.00 0.00 O ATOM 929 CB GLU A 66 -3.745 -12.697 4.787 1.00 0.00 C ATOM 930 CG GLU A 66 -5.063 -13.439 4.638 1.00 0.00 C ATOM 931 CD GLU A 66 -5.937 -13.329 5.871 1.00 0.00 C ATOM 932 OE1 GLU A 66 -5.705 -14.091 6.834 1.00 0.00 O ATOM 933 OE2 GLU A 66 -6.854 -12.480 5.875 1.00 0.00 O ATOM 0 H GLU A 66 -4.815 -11.490 2.949 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.109 -11.888 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.089 -13.268 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.930 -11.740 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.603 -13.043 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.862 -14.490 4.432 1.00 0.00 H new ATOM 940 N LYS A 67 -3.367 -14.172 1.774 1.00 0.00 N ATOM 941 CA LYS A 67 -3.094 -15.431 1.088 1.00 0.00 C ATOM 942 C LYS A 67 -2.222 -15.215 -0.145 1.00 0.00 C ATOM 943 O LYS A 67 -1.230 -15.916 -0.345 1.00 0.00 O ATOM 944 CB LYS A 67 -4.404 -16.108 0.684 1.00 0.00 C ATOM 945 CG LYS A 67 -5.414 -16.207 1.816 1.00 0.00 C ATOM 946 CD LYS A 67 -5.355 -17.562 2.504 1.00 0.00 C ATOM 947 CE LYS A 67 -6.701 -18.268 2.466 1.00 0.00 C ATOM 948 NZ LYS A 67 -6.566 -19.737 2.679 1.00 0.00 N ATOM 0 H LYS A 67 -4.143 -13.637 1.384 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.552 -16.076 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.850 -15.554 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.186 -17.110 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.222 -15.420 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.418 -16.041 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.603 -18.185 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.041 -17.432 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.352 -17.849 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.180 -18.083 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.506 -20.180 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.965 -20.142 1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.132 -19.915 3.607 1.00 0.00 H new ATOM 962 N ARG A 68 -2.601 -14.248 -0.973 1.00 0.00 N ATOM 963 CA ARG A 68 -1.854 -13.950 -2.192 1.00 0.00 C ATOM 964 C ARG A 68 -0.899 -12.780 -1.987 1.00 0.00 C ATOM 965 O ARG A 68 0.316 -12.928 -2.124 1.00 0.00 O ATOM 966 CB ARG A 68 -2.819 -13.642 -3.339 1.00 0.00 C ATOM 967 CG ARG A 68 -3.972 -14.627 -3.442 1.00 0.00 C ATOM 968 CD ARG A 68 -4.510 -14.712 -4.862 1.00 0.00 C ATOM 969 NE ARG A 68 -4.647 -16.097 -5.313 1.00 0.00 N ATOM 970 CZ ARG A 68 -5.610 -16.918 -4.902 1.00 0.00 C ATOM 971 NH1 ARG A 68 -6.521 -16.502 -4.032 1.00 0.00 N ATOM 972 NH2 ARG A 68 -5.661 -18.160 -5.363 1.00 0.00 N ATOM 0 H ARG A 68 -3.419 -13.657 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.261 -14.829 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.220 -12.637 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.266 -13.642 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.639 -15.613 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.772 -14.324 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.479 -14.216 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.842 -14.175 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.964 -16.454 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.486 -15.548 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.257 -17.137 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.963 -18.485 -6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.399 -18.791 -5.049 1.00 0.00 H new ATOM 986 N CYS A 69 -1.450 -11.614 -1.662 1.00 0.00 N ATOM 987 CA CYS A 69 -0.639 -10.420 -1.443 1.00 0.00 C ATOM 988 C CYS A 69 0.416 -10.668 -0.368 1.00 0.00 C ATOM 989 O CYS A 69 0.140 -11.294 0.654 1.00 0.00 O ATOM 990 CB CYS A 69 -1.526 -9.240 -1.041 1.00 0.00 C ATOM 991 SG CYS A 69 -2.732 -8.764 -2.302 1.00 0.00 S ATOM 0 H CYS A 69 -2.453 -11.470 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.131 -10.181 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.056 -9.493 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.892 -8.382 -0.817 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.437 -7.760 -1.871 1.00 0.00 H new ATOM 997 N ARG A 70 1.625 -10.176 -0.610 1.00 0.00 N ATOM 998 CA ARG A 70 2.722 -10.349 0.335 1.00 0.00 C ATOM 999 C ARG A 70 2.853 -9.141 1.258 1.00 0.00 C ATOM 1000 O ARG A 70 3.050 -9.291 2.465 1.00 0.00 O ATOM 1001 CB ARG A 70 4.036 -10.582 -0.414 1.00 0.00 C ATOM 1002 CG ARG A 70 4.531 -12.018 -0.340 1.00 0.00 C ATOM 1003 CD ARG A 70 5.302 -12.275 0.945 1.00 0.00 C ATOM 1004 NE ARG A 70 4.710 -13.355 1.731 1.00 0.00 N ATOM 1005 CZ ARG A 70 4.647 -14.619 1.324 1.00 0.00 C ATOM 1006 NH1 ARG A 70 5.143 -14.971 0.144 1.00 0.00 N ATOM 1007 NH2 ARG A 70 4.087 -15.538 2.101 1.00 0.00 N ATOM 0 H ARG A 70 1.871 -9.655 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 70 2.501 -11.222 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.903 -10.306 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.800 -9.921 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.683 -12.700 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.170 -12.229 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.335 -12.526 0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.326 -11.363 1.542 1.00 0.00 H new ATOM 0 HE ARG A 70 4.322 -13.126 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.576 -14.270 -0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.091 -15.943 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.705 -15.274 3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.038 -16.508 1.790 1.00 0.00 H new ATOM 1021 N ARG A 71 2.748 -7.944 0.689 1.00 0.00 N ATOM 1022 CA ARG A 71 2.859 -6.716 1.471 1.00 0.00 C ATOM 1023 C ARG A 71 1.660 -5.800 1.237 1.00 0.00 C ATOM 1024 O ARG A 71 0.813 -6.070 0.385 1.00 0.00 O ATOM 1025 CB ARG A 71 4.160 -5.978 1.135 1.00 0.00 C ATOM 1026 CG ARG A 71 4.594 -6.117 -0.317 1.00 0.00 C ATOM 1027 CD ARG A 71 5.728 -7.119 -0.468 1.00 0.00 C ATOM 1028 NE ARG A 71 6.853 -6.812 0.412 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.959 -7.548 0.484 1.00 0.00 C ATOM 1030 NH1 ARG A 71 8.094 -8.633 -0.268 1.00 0.00 N ATOM 1031 NH2 ARG A 71 8.935 -7.199 1.312 1.00 0.00 N ATOM 0 H ARG A 71 2.587 -7.798 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 71 2.874 -6.995 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.036 -4.920 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.955 -6.354 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.745 -6.434 -0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.912 -5.146 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.358 -8.120 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.069 -7.126 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 71 6.787 -5.985 1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.347 -8.907 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.945 -9.193 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.837 -6.367 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.783 -7.763 1.367 1.00 0.00 H new ATOM 1045 N MET A 72 1.591 -4.717 2.004 1.00 0.00 N ATOM 1046 CA MET A 72 0.491 -3.767 1.884 1.00 0.00 C ATOM 1047 C MET A 72 1.006 -2.338 1.740 1.00 0.00 C ATOM 1048 O MET A 72 2.086 -1.998 2.224 1.00 0.00 O ATOM 1049 CB MET A 72 -0.428 -3.871 3.104 1.00 0.00 C ATOM 1050 CG MET A 72 -1.773 -4.510 2.797 1.00 0.00 C ATOM 1051 SD MET A 72 -2.552 -5.226 4.257 1.00 0.00 S ATOM 1052 CE MET A 72 -1.921 -6.900 4.191 1.00 0.00 C ATOM 0 H MET A 72 2.282 -4.476 2.714 1.00 0.00 H new ATOM 0 HA MET A 72 -0.072 -4.016 0.985 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.073 -4.452 3.878 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.593 -2.873 3.511 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.437 -3.760 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.638 -5.287 2.044 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.750 -7.604 4.255 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.388 -7.051 3.252 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.240 -7.065 5.026 1.00 0.00 H new ATOM 1062 N VAL A 73 0.215 -1.505 1.077 1.00 0.00 N ATOM 1063 CA VAL A 73 0.568 -0.108 0.868 1.00 0.00 C ATOM 1064 C VAL A 73 -0.578 0.788 1.312 1.00 0.00 C ATOM 1065 O VAL A 73 -1.525 1.020 0.560 1.00 0.00 O ATOM 1066 CB VAL A 73 0.898 0.178 -0.609 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.355 1.618 -0.789 1.00 0.00 C ATOM 1068 CG2 VAL A 73 1.954 -0.791 -1.116 1.00 0.00 C ATOM 0 H VAL A 73 -0.681 -1.776 0.672 1.00 0.00 H new ATOM 0 HA VAL A 73 1.457 0.102 1.463 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.008 0.035 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.583 1.799 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.562 2.294 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.247 1.794 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.175 -0.574 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.862 -0.682 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.583 -1.812 -1.028 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.498 1.274 2.544 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.543 2.125 3.095 1.00 0.00 C ATOM 1080 C VAL A 74 -1.294 3.593 2.781 1.00 0.00 C ATOM 1081 O VAL A 74 -0.155 4.059 2.784 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.665 1.949 4.622 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -3.001 2.480 5.114 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.490 0.487 5.012 1.00 0.00 C ATOM 0 H VAL A 74 0.279 1.093 3.180 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.476 1.816 2.623 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.871 2.524 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.070 2.348 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.083 3.540 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.810 1.934 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.580 0.386 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.259 -0.114 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.506 0.141 4.696 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.374 4.317 2.510 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.289 5.736 2.196 1.00 0.00 C ATOM 1096 C VAL A 75 -2.920 6.568 3.308 1.00 0.00 C ATOM 1097 O VAL A 75 -4.121 6.838 3.286 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.989 6.057 0.862 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.804 7.522 0.494 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -2.469 5.151 -0.246 1.00 0.00 C ATOM 0 H VAL A 75 -3.322 3.941 2.502 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.232 5.988 2.106 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.056 5.872 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.307 7.726 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.232 8.150 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.741 7.741 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.975 5.392 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.396 5.301 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.663 4.110 0.014 1.00 0.00 H new ATOM 1110 N VAL A 76 -2.106 6.964 4.280 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.593 7.757 5.404 1.00 0.00 C ATOM 1112 C VAL A 76 -2.687 9.235 5.046 1.00 0.00 C ATOM 1113 O VAL A 76 -1.697 9.965 5.089 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.693 7.589 6.645 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.272 8.041 6.347 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.268 8.350 7.830 1.00 0.00 C ATOM 0 H VAL A 76 -1.109 6.750 4.313 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.591 7.386 5.638 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.661 6.531 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.345 7.913 7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.137 7.442 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.278 9.092 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.619 8.219 8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.335 9.410 7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.262 7.967 8.061 1.00 0.00 H new ATOM 1126 N SER A 77 -3.892 9.672 4.700 1.00 0.00 N ATOM 1127 CA SER A 77 -4.128 11.064 4.342 1.00 0.00 C ATOM 1128 C SER A 77 -5.314 11.627 5.116 1.00 0.00 C ATOM 1129 O SER A 77 -6.238 10.896 5.472 1.00 0.00 O ATOM 1130 CB SER A 77 -4.374 11.190 2.839 1.00 0.00 C ATOM 1131 OG SER A 77 -3.830 10.086 2.135 1.00 0.00 O ATOM 0 H SER A 77 -4.722 9.080 4.660 1.00 0.00 H new ATOM 0 HA SER A 77 -3.240 11.639 4.605 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.445 11.254 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.928 12.114 2.471 1.00 0.00 H new ATOM 0 HG SER A 77 -4.447 9.816 1.423 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.281 12.935 5.370 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.354 13.617 6.099 1.00 0.00 C ATOM 1139 C ASP A 78 -7.733 13.109 5.683 1.00 0.00 C ATOM 1140 O ASP A 78 -8.517 12.640 6.508 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.275 15.123 5.837 1.00 0.00 C ATOM 1142 CG ASP A 78 -6.117 15.926 7.108 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -4.986 15.987 7.629 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -7.121 16.497 7.581 1.00 0.00 O ATOM 0 H ASP A 78 -4.519 13.548 5.080 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.220 13.407 7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.435 15.329 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.177 15.446 5.317 1.00 0.00 H new ATOM 1149 N ASP A 79 -8.017 13.229 4.395 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.298 12.813 3.832 1.00 0.00 C ATOM 1151 C ASP A 79 -9.559 11.316 4.014 1.00 0.00 C ATOM 1152 O ASP A 79 -10.686 10.856 3.830 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.351 13.166 2.344 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.755 14.608 2.107 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -9.315 15.484 2.883 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -10.512 14.863 1.147 1.00 0.00 O ATOM 0 H ASP A 79 -7.369 13.617 3.709 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.077 13.349 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.374 12.987 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.058 12.506 1.842 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.528 10.558 4.376 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.681 9.122 4.576 1.00 0.00 C ATOM 1163 C TYR A 80 -9.039 8.823 6.024 1.00 0.00 C ATOM 1164 O TYR A 80 -9.723 7.842 6.319 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.393 8.391 4.192 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.440 6.896 4.429 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -8.598 6.169 4.181 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.326 6.215 4.901 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -8.645 4.805 4.397 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.363 4.850 5.120 1.00 0.00 C ATOM 1171 CZ TYR A 80 -7.524 4.149 4.866 1.00 0.00 C ATOM 1172 OH TYR A 80 -7.563 2.791 5.080 1.00 0.00 O ATOM 0 H TYR A 80 -7.585 10.912 4.536 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.489 8.769 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.183 8.575 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.564 8.813 4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.476 6.679 3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.415 6.760 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.553 4.255 4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.488 4.335 5.488 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.122 2.368 4.395 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.568 9.675 6.924 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.827 9.515 8.340 1.00 0.00 C ATOM 1184 C LEU A 81 -10.220 10.014 8.695 1.00 0.00 C ATOM 1185 O LEU A 81 -10.912 9.426 9.525 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.781 10.282 9.137 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.358 9.757 9.007 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -5.344 10.850 9.302 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -6.156 8.592 9.943 1.00 0.00 C ATOM 0 H LEU A 81 -8.000 10.490 6.691 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.771 8.455 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.798 11.325 8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.064 10.264 10.190 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.206 9.425 7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.336 10.448 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.479 11.671 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.489 11.216 10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.136 8.220 9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.328 8.916 10.969 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.858 7.797 9.691 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.626 11.106 8.055 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.934 11.691 8.294 1.00 0.00 C ATOM 1203 C GLN A 82 -13.046 10.674 8.043 1.00 0.00 C ATOM 1204 O GLN A 82 -14.163 10.828 8.536 1.00 0.00 O ATOM 1205 CB GLN A 82 -12.127 12.914 7.398 1.00 0.00 C ATOM 1206 CG GLN A 82 -12.225 12.579 5.919 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.752 13.736 5.094 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -12.213 14.842 5.139 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -13.809 13.486 4.332 1.00 0.00 N ATOM 0 H GLN A 82 -10.063 11.603 7.365 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.987 11.997 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.033 13.438 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.295 13.601 7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.241 12.292 5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.878 11.717 5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.224 12.554 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.206 14.226 3.753 1.00 0.00 H new ATOM 1218 N SER A 83 -12.732 9.636 7.271 1.00 0.00 N ATOM 1219 CA SER A 83 -13.707 8.599 6.957 1.00 0.00 C ATOM 1220 C SER A 83 -13.518 7.381 7.856 1.00 0.00 C ATOM 1221 O SER A 83 -12.422 7.132 8.359 1.00 0.00 O ATOM 1222 CB SER A 83 -13.588 8.188 5.488 1.00 0.00 C ATOM 1223 OG SER A 83 -14.863 8.130 4.870 1.00 0.00 O ATOM 0 H SER A 83 -11.813 9.492 6.853 1.00 0.00 H new ATOM 0 HA SER A 83 -14.703 9.006 7.135 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.955 8.900 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.101 7.215 5.417 1.00 0.00 H new ATOM 0 HG SER A 83 -14.760 7.867 3.932 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.594 6.627 8.055 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.553 5.438 8.890 1.00 0.00 C ATOM 1231 C LYS A 84 -13.813 4.301 8.191 1.00 0.00 C ATOM 1232 O LYS A 84 -13.337 3.369 8.838 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.974 5.000 9.239 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.851 4.749 8.023 1.00 0.00 C ATOM 1235 CD LYS A 84 -18.250 5.312 8.218 1.00 0.00 C ATOM 1236 CE LYS A 84 -18.312 6.787 7.855 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.600 6.990 6.407 1.00 0.00 N ATOM 0 H LYS A 84 -15.508 6.822 7.646 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.014 5.681 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.928 4.090 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.439 5.766 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.394 5.203 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.912 3.678 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.957 4.755 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.556 5.178 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.083 7.276 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.365 7.263 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.634 8.008 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.851 6.546 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.516 6.558 6.171 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.719 4.385 6.866 1.00 0.00 N ATOM 1252 CA GLU A 85 -13.036 3.363 6.081 1.00 0.00 C ATOM 1253 C GLU A 85 -11.624 3.130 6.603 1.00 0.00 C ATOM 1254 O GLU A 85 -11.104 2.016 6.545 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.989 3.769 4.606 1.00 0.00 C ATOM 1256 CG GLU A 85 -14.337 3.692 3.910 1.00 0.00 C ATOM 1257 CD GLU A 85 -14.237 3.133 2.505 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.340 2.300 2.260 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -15.054 3.529 1.647 1.00 0.00 O ATOM 0 H GLU A 85 -14.107 5.150 6.315 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.596 2.433 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.608 4.788 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.282 3.125 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.010 3.068 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.778 4.688 3.870 1.00 0.00 H new ATOM 1266 N CYS A 86 -11.010 4.188 7.121 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.661 4.098 7.663 1.00 0.00 C ATOM 1268 C CYS A 86 -9.691 3.517 9.070 1.00 0.00 C ATOM 1269 O CYS A 86 -8.762 2.825 9.485 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.996 5.477 7.673 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.337 5.495 8.391 1.00 0.00 S ATOM 0 H CYS A 86 -11.426 5.118 7.177 1.00 0.00 H new ATOM 0 HA CYS A 86 -9.077 3.435 7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.941 5.849 6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.628 6.169 8.230 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.459 5.270 7.460 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.769 3.794 9.797 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.919 3.287 11.155 1.00 0.00 C ATOM 1279 C ASP A 87 -10.942 1.765 11.148 1.00 0.00 C ATOM 1280 O ASP A 87 -10.357 1.119 12.018 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.200 3.829 11.793 1.00 0.00 C ATOM 1282 CG ASP A 87 -12.069 4.005 13.293 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.179 3.365 13.890 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.858 4.782 13.871 1.00 0.00 O ATOM 0 H ASP A 87 -11.548 4.365 9.469 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.068 3.625 11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.452 4.787 11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.025 3.149 11.580 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.602 1.202 10.145 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.685 -0.244 10.003 1.00 0.00 C ATOM 1291 C PHE A 88 -10.357 -0.779 9.487 1.00 0.00 C ATOM 1292 O PHE A 88 -9.865 -1.812 9.944 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.815 -0.625 9.048 1.00 0.00 C ATOM 1294 CG PHE A 88 -13.148 -2.089 9.063 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.971 -2.615 10.045 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.636 -2.940 8.096 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -14.280 -3.962 10.062 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.940 -4.288 8.108 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.762 -4.799 9.092 1.00 0.00 C ATOM 0 H PHE A 88 -12.088 1.726 9.417 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.898 -0.685 10.977 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.707 -0.056 9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.536 -0.335 8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -14.376 -1.965 10.806 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.992 -2.545 7.324 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.925 -4.360 10.832 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.535 -4.941 7.349 1.00 0.00 H new ATOM 0 HZ PHE A 88 -14.000 -5.852 9.104 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.771 -0.047 8.545 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.488 -0.424 7.974 1.00 0.00 C ATOM 1311 C GLN A 89 -7.422 -0.420 9.060 1.00 0.00 C ATOM 1312 O GLN A 89 -6.514 -1.245 9.052 1.00 0.00 O ATOM 1313 CB GLN A 89 -8.101 0.540 6.850 1.00 0.00 C ATOM 1314 CG GLN A 89 -7.244 -0.098 5.767 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.866 -0.482 6.264 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -5.428 -1.621 6.099 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -5.171 0.470 6.877 1.00 0.00 N ATOM 0 H GLN A 89 -10.167 0.811 8.162 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.568 -1.427 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.008 0.938 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.561 1.385 7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.749 -0.986 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.145 0.596 4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.572 1.401 6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.236 0.270 7.232 1.00 0.00 H new ATOM 1326 N THR A 90 -7.557 0.510 10.000 1.00 0.00 N ATOM 1327 CA THR A 90 -6.624 0.623 11.112 1.00 0.00 C ATOM 1328 C THR A 90 -6.676 -0.615 11.980 1.00 0.00 C ATOM 1329 O THR A 90 -5.705 -1.351 12.056 1.00 0.00 O ATOM 1330 CB THR A 90 -6.940 1.865 11.944 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.941 3.027 11.132 1.00 0.00 O ATOM 1332 CG2 THR A 90 -5.958 2.096 13.068 1.00 0.00 C ATOM 0 H THR A 90 -8.309 1.199 10.012 1.00 0.00 H new ATOM 0 HA THR A 90 -5.616 0.718 10.707 1.00 0.00 H new ATOM 0 HB THR A 90 -7.925 1.681 12.373 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.851 3.203 10.814 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.240 2.993 13.619 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.967 1.239 13.741 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.957 2.223 12.656 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.807 -0.846 12.628 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.951 -2.010 13.496 1.00 0.00 C ATOM 1342 C LYS A 91 -7.476 -3.282 12.804 1.00 0.00 C ATOM 1343 O LYS A 91 -7.021 -4.220 13.458 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.402 -2.165 13.954 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.748 -1.325 15.173 1.00 0.00 C ATOM 1346 CD LYS A 91 -9.448 0.147 14.938 1.00 0.00 C ATOM 1347 CE LYS A 91 -9.638 0.963 16.207 1.00 0.00 C ATOM 1348 NZ LYS A 91 -8.693 2.112 16.274 1.00 0.00 N ATOM 0 H LYS A 91 -8.633 -0.250 12.572 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.322 -1.848 14.372 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.065 -1.890 13.133 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.593 -3.214 14.180 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.804 -1.448 15.414 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.181 -1.680 16.034 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.424 0.259 14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.101 0.532 14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.663 1.332 16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.492 0.322 17.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.854 2.643 17.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.715 1.759 16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.849 2.738 15.458 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.569 -3.305 11.482 1.00 0.00 N ATOM 1363 CA PHE A 92 -7.129 -4.462 10.719 1.00 0.00 C ATOM 1364 C PHE A 92 -5.677 -4.295 10.282 1.00 0.00 C ATOM 1365 O PHE A 92 -4.974 -5.275 10.033 1.00 0.00 O ATOM 1366 CB PHE A 92 -8.028 -4.671 9.498 1.00 0.00 C ATOM 1367 CG PHE A 92 -8.393 -6.109 9.261 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -7.430 -7.030 8.882 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -9.702 -6.539 9.415 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -7.765 -8.352 8.661 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -10.042 -7.860 9.196 1.00 0.00 C ATOM 1372 CZ PHE A 92 -9.071 -8.769 8.818 1.00 0.00 C ATOM 0 H PHE A 92 -7.943 -2.541 10.919 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.200 -5.341 11.359 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.941 -4.089 9.625 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.523 -4.282 8.614 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.406 -6.711 8.758 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -10.465 -5.833 9.710 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.004 -9.059 8.365 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.065 -8.182 9.320 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.334 -9.802 8.646 1.00 0.00 H new ATOM 1382 N ALA A 93 -5.234 -3.045 10.193 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.869 -2.738 9.788 1.00 0.00 C ATOM 1384 C ALA A 93 -2.938 -2.635 10.991 1.00 0.00 C ATOM 1385 O ALA A 93 -1.737 -2.880 10.882 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.833 -1.450 8.986 1.00 0.00 C ATOM 0 H ALA A 93 -5.805 -2.225 10.397 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.517 -3.558 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.806 -1.234 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.452 -1.559 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.215 -0.631 9.595 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.498 -2.266 12.140 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.723 -2.125 13.358 1.00 0.00 C ATOM 1394 C LEU A 94 -2.565 -3.471 14.035 1.00 0.00 C ATOM 1395 O LEU A 94 -1.474 -3.867 14.442 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.414 -1.138 14.293 1.00 0.00 C ATOM 1397 CG LEU A 94 -4.879 -1.434 14.636 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -4.979 -2.418 15.776 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.612 -0.145 14.985 1.00 0.00 C ATOM 0 H LEU A 94 -4.491 -2.060 12.248 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.732 -1.745 13.111 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.847 -1.095 15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.362 -0.147 13.842 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.349 -1.880 13.760 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.028 -2.611 15.999 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.490 -3.351 15.495 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.490 -2.004 16.658 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.651 -0.371 15.226 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.134 0.324 15.845 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.577 0.535 14.134 1.00 0.00 H new ATOM 1411 N SER A 95 -3.680 -4.162 14.135 1.00 0.00 N ATOM 1412 CA SER A 95 -3.723 -5.485 14.750 1.00 0.00 C ATOM 1413 C SER A 95 -4.073 -6.545 13.711 1.00 0.00 C ATOM 1414 O SER A 95 -5.062 -7.266 13.848 1.00 0.00 O ATOM 1415 CB SER A 95 -4.738 -5.520 15.897 1.00 0.00 C ATOM 1416 OG SER A 95 -6.069 -5.461 15.409 1.00 0.00 O ATOM 0 H SER A 95 -4.583 -3.830 13.796 1.00 0.00 H new ATOM 0 HA SER A 95 -2.735 -5.701 15.156 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.602 -6.432 16.479 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.558 -4.682 16.571 1.00 0.00 H new ATOM 0 HG SER A 95 -6.069 -5.086 14.504 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.254 -6.626 12.670 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.474 -7.594 11.599 1.00 0.00 C ATOM 1424 C LEU A 96 -2.946 -8.971 11.991 1.00 0.00 C ATOM 1425 O LEU A 96 -3.706 -9.843 12.413 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.819 -7.138 10.282 1.00 0.00 C ATOM 1427 CG LEU A 96 -2.024 -5.831 10.341 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.657 -6.059 10.968 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.876 -5.246 8.950 1.00 0.00 C ATOM 0 H LEU A 96 -2.432 -6.035 12.543 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.551 -7.660 11.441 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.153 -7.929 9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.600 -7.030 9.530 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.571 -5.123 10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.110 -5.117 11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.781 -6.441 11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.100 -6.783 10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.309 -4.317 9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.350 -5.955 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.863 -5.045 8.533 1.00 0.00 H new ATOM 1441 N SER A 97 -1.639 -9.160 11.849 1.00 0.00 N ATOM 1442 CA SER A 97 -1.001 -10.426 12.183 1.00 0.00 C ATOM 1443 C SER A 97 -0.143 -10.287 13.439 1.00 0.00 C ATOM 1444 O SER A 97 0.047 -9.182 13.949 1.00 0.00 O ATOM 1445 CB SER A 97 -0.145 -10.911 11.011 1.00 0.00 C ATOM 1446 OG SER A 97 -0.705 -12.067 10.413 1.00 0.00 O ATOM 0 H SER A 97 -0.998 -8.447 11.502 1.00 0.00 H new ATOM 0 HA SER A 97 -1.781 -11.161 12.381 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.059 -10.119 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.864 -11.131 11.360 1.00 0.00 H new ATOM 0 HG SER A 97 -0.140 -12.355 9.666 1.00 0.00 H new ATOM 1452 N PRO A 98 0.384 -11.410 13.957 1.00 0.00 N ATOM 1453 CA PRO A 98 1.220 -11.405 15.161 1.00 0.00 C ATOM 1454 C PRO A 98 2.638 -10.911 14.887 1.00 0.00 C ATOM 1455 O PRO A 98 3.612 -11.625 15.130 1.00 0.00 O ATOM 1456 CB PRO A 98 1.236 -12.876 15.573 1.00 0.00 C ATOM 1457 CG PRO A 98 1.083 -13.622 14.294 1.00 0.00 C ATOM 1458 CD PRO A 98 0.204 -12.772 13.415 1.00 0.00 C ATOM 0 HA PRO A 98 0.834 -10.732 15.927 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.167 -13.137 16.076 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.425 -13.103 16.265 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.052 -13.794 13.825 1.00 0.00 H new ATOM 0 HG3 PRO A 98 0.633 -14.600 14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.506 -12.831 12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.838 -13.089 13.464 1.00 0.00 H new ATOM 1466 N GLY A 99 2.750 -9.686 14.385 1.00 0.00 N ATOM 1467 CA GLY A 99 4.056 -9.121 14.094 1.00 0.00 C ATOM 1468 C GLY A 99 4.164 -8.587 12.679 1.00 0.00 C ATOM 1469 O GLY A 99 5.125 -8.883 11.969 1.00 0.00 O ATOM 0 H GLY A 99 1.961 -9.074 14.174 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.263 -8.315 14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 99 4.819 -9.884 14.249 1.00 0.00 H new ATOM 1473 N ALA A 100 3.178 -7.795 12.269 1.00 0.00 N ATOM 1474 CA ALA A 100 3.172 -7.218 10.930 1.00 0.00 C ATOM 1475 C ALA A 100 2.697 -5.769 10.960 1.00 0.00 C ATOM 1476 O ALA A 100 1.859 -5.363 10.157 1.00 0.00 O ATOM 1477 CB ALA A 100 2.293 -8.047 10.004 1.00 0.00 C ATOM 0 H ALA A 100 2.375 -7.539 12.843 1.00 0.00 H new ATOM 0 HA ALA A 100 4.193 -7.229 10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.297 -7.606 9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.678 -9.065 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.273 -8.064 10.389 1.00 0.00 H new ATOM 1483 N HIS A 101 3.237 -4.992 11.894 1.00 0.00 N ATOM 1484 CA HIS A 101 2.867 -3.588 12.027 1.00 0.00 C ATOM 1485 C HIS A 101 3.603 -2.733 11.001 1.00 0.00 C ATOM 1486 O HIS A 101 3.062 -1.753 10.489 1.00 0.00 O ATOM 1487 CB HIS A 101 3.172 -3.091 13.439 1.00 0.00 C ATOM 1488 CG HIS A 101 2.769 -1.669 13.676 1.00 0.00 C ATOM 1489 ND1 HIS A 101 3.399 -0.507 13.379 1.00 0.00 N flip ATOM 1490 CD2 HIS A 101 1.585 -1.314 14.290 1.00 0.00 C flip ATOM 1491 CE1 HIS A 101 2.593 0.517 13.814 1.00 0.00 C flip ATOM 1492 NE2 HIS A 101 1.505 0.004 14.360 1.00 0.00 N flip ATOM 0 H HIS A 101 3.932 -5.311 12.569 1.00 0.00 H new ATOM 0 HA HIS A 101 1.796 -3.500 11.844 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.659 -3.730 14.158 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.241 -3.193 13.628 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.840 -2.005 14.656 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.813 1.570 13.724 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.734 0.534 14.766 1.00 0.00 H new ATOM 1501 N GLN A 102 4.842 -3.111 10.707 1.00 0.00 N ATOM 1502 CA GLN A 102 5.655 -2.383 9.741 1.00 0.00 C ATOM 1503 C GLN A 102 6.632 -3.321 9.041 1.00 0.00 C ATOM 1504 O GLN A 102 7.753 -2.933 8.711 1.00 0.00 O ATOM 1505 CB GLN A 102 6.420 -1.254 10.435 1.00 0.00 C ATOM 1506 CG GLN A 102 7.342 -1.736 11.544 1.00 0.00 C ATOM 1507 CD GLN A 102 8.202 -0.622 12.111 1.00 0.00 C ATOM 1508 OE1 GLN A 102 8.562 0.321 11.406 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.536 -0.728 13.393 1.00 0.00 N ATOM 0 H GLN A 102 5.305 -3.918 11.124 1.00 0.00 H new ATOM 0 HA GLN A 102 4.990 -1.953 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.009 -0.715 9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.705 -0.544 10.851 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.745 -2.172 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.985 -2.527 11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.215 -1.527 13.939 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.113 -0.010 13.831 1.00 0.00 H new ATOM 1518 N LYS A 103 6.200 -4.557 8.821 1.00 0.00 N ATOM 1519 CA LYS A 103 7.035 -5.555 8.164 1.00 0.00 C ATOM 1520 C LYS A 103 6.505 -5.882 6.771 1.00 0.00 C ATOM 1521 O LYS A 103 7.263 -6.270 5.883 1.00 0.00 O ATOM 1522 CB LYS A 103 7.096 -6.828 9.009 1.00 0.00 C ATOM 1523 CG LYS A 103 8.256 -6.850 9.991 1.00 0.00 C ATOM 1524 CD LYS A 103 7.796 -6.548 11.408 1.00 0.00 C ATOM 1525 CE LYS A 103 8.803 -7.029 12.438 1.00 0.00 C ATOM 1526 NZ LYS A 103 8.424 -8.351 13.010 1.00 0.00 N ATOM 0 H LYS A 103 5.275 -4.892 9.089 1.00 0.00 H new ATOM 0 HA LYS A 103 8.039 -5.142 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.162 -6.933 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.175 -7.690 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.737 -7.828 9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.004 -6.118 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.644 -5.475 11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.834 -7.027 11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.788 -7.102 11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.881 -6.295 13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.136 -8.644 13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.496 -8.276 13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.375 -9.058 12.248 1.00 0.00 H new ATOM 1540 N ARG A 104 5.196 -5.733 6.587 1.00 0.00 N ATOM 1541 CA ARG A 104 4.568 -6.021 5.301 1.00 0.00 C ATOM 1542 C ARG A 104 3.842 -4.798 4.751 1.00 0.00 C ATOM 1543 O ARG A 104 3.859 -4.548 3.546 1.00 0.00 O ATOM 1544 CB ARG A 104 3.587 -7.186 5.444 1.00 0.00 C ATOM 1545 CG ARG A 104 4.160 -8.374 6.200 1.00 0.00 C ATOM 1546 CD ARG A 104 3.083 -9.396 6.533 1.00 0.00 C ATOM 1547 NE ARG A 104 3.218 -10.612 5.734 1.00 0.00 N ATOM 1548 CZ ARG A 104 4.249 -11.448 5.826 1.00 0.00 C ATOM 1549 NH1 ARG A 104 5.237 -11.206 6.679 1.00 0.00 N ATOM 1550 NH2 ARG A 104 4.293 -12.533 5.064 1.00 0.00 N ATOM 0 H ARG A 104 4.551 -5.415 7.310 1.00 0.00 H new ATOM 0 HA ARG A 104 5.355 -6.293 4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.692 -6.836 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.277 -7.513 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.938 -8.846 5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.631 -8.028 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.138 -9.650 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.100 -8.956 6.362 1.00 0.00 H new ATOM 0 HE ARG A 104 2.479 -10.833 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.209 -10.375 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.024 -11.851 6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.537 -12.726 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.083 -13.174 5.134 1.00 0.00 H new ATOM 1564 N LEU A 105 3.201 -4.041 5.635 1.00 0.00 N ATOM 1565 CA LEU A 105 2.467 -2.850 5.226 1.00 0.00 C ATOM 1566 C LEU A 105 3.291 -1.591 5.462 1.00 0.00 C ATOM 1567 O LEU A 105 4.136 -1.545 6.356 1.00 0.00 O ATOM 1568 CB LEU A 105 1.141 -2.752 5.984 1.00 0.00 C ATOM 1569 CG LEU A 105 1.170 -3.265 7.424 1.00 0.00 C ATOM 1570 CD1 LEU A 105 0.210 -2.467 8.293 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.823 -4.745 7.468 1.00 0.00 C ATOM 0 H LEU A 105 3.175 -4.231 6.637 1.00 0.00 H new ATOM 0 HA LEU A 105 2.263 -2.934 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.824 -1.709 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.384 -3.310 5.432 1.00 0.00 H new ATOM 0 HG LEU A 105 2.179 -3.135 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.244 -2.846 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.500 -1.416 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.803 -2.566 7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.848 -5.094 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.175 -4.897 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.547 -5.306 6.877 1.00 0.00 H new ATOM 1583 N ILE A 106 3.036 -0.567 4.654 1.00 0.00 N ATOM 1584 CA ILE A 106 3.754 0.697 4.776 1.00 0.00 C ATOM 1585 C ILE A 106 2.855 1.879 4.412 1.00 0.00 C ATOM 1586 O ILE A 106 2.302 1.932 3.313 1.00 0.00 O ATOM 1587 CB ILE A 106 5.008 0.727 3.880 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.679 0.205 2.474 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.135 -0.075 4.518 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.779 -1.301 2.331 1.00 0.00 C ATOM 0 H ILE A 106 2.339 -0.587 3.909 1.00 0.00 H new ATOM 0 HA ILE A 106 4.062 0.782 5.818 1.00 0.00 H new ATOM 0 HB ILE A 106 5.344 1.759 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.669 0.517 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.355 0.672 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.013 -0.044 3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.382 0.354 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.817 -1.109 4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.531 -1.587 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.795 -1.622 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.083 -1.779 3.020 1.00 0.00 H new ATOM 1602 N PRO A 107 2.693 2.847 5.334 1.00 0.00 N ATOM 1603 CA PRO A 107 1.857 4.030 5.104 1.00 0.00 C ATOM 1604 C PRO A 107 2.508 5.025 4.149 1.00 0.00 C ATOM 1605 O PRO A 107 3.732 5.138 4.091 1.00 0.00 O ATOM 1606 CB PRO A 107 1.725 4.641 6.498 1.00 0.00 C ATOM 1607 CG PRO A 107 2.974 4.234 7.197 1.00 0.00 C ATOM 1608 CD PRO A 107 3.304 2.862 6.677 1.00 0.00 C ATOM 0 HA PRO A 107 0.905 3.773 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.632 5.726 6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.840 4.268 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.783 4.935 6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 107 2.831 4.219 8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.381 2.699 6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.891 2.081 7.315 1.00 0.00 H new ATOM 1616 N ILE A 108 1.678 5.744 3.404 1.00 0.00 N ATOM 1617 CA ILE A 108 2.160 6.734 2.449 1.00 0.00 C ATOM 1618 C ILE A 108 1.150 7.869 2.292 1.00 0.00 C ATOM 1619 O ILE A 108 -0.027 7.714 2.624 1.00 0.00 O ATOM 1620 CB ILE A 108 2.434 6.083 1.073 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.622 5.123 1.170 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.695 7.138 0.005 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.223 3.694 1.464 1.00 0.00 C ATOM 0 H ILE A 108 0.662 5.659 3.443 1.00 0.00 H new ATOM 0 HA ILE A 108 3.094 7.143 2.835 1.00 0.00 H new ATOM 0 HB ILE A 108 1.546 5.522 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.178 5.151 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.297 5.471 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.884 6.649 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.824 7.787 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.564 7.733 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.116 3.071 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.693 3.653 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.572 3.327 0.670 1.00 0.00 H new ATOM 1635 N LYS A 109 1.613 9.008 1.788 1.00 0.00 N ATOM 1636 CA LYS A 109 0.743 10.160 1.587 1.00 0.00 C ATOM 1637 C LYS A 109 1.461 11.255 0.803 1.00 0.00 C ATOM 1638 O LYS A 109 2.680 11.398 0.891 1.00 0.00 O ATOM 1639 CB LYS A 109 0.254 10.704 2.936 1.00 0.00 C ATOM 1640 CG LYS A 109 1.313 11.458 3.727 1.00 0.00 C ATOM 1641 CD LYS A 109 2.285 10.512 4.411 1.00 0.00 C ATOM 1642 CE LYS A 109 3.411 11.270 5.093 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.982 11.843 6.400 1.00 0.00 N ATOM 0 H LYS A 109 2.583 9.158 1.512 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.121 9.835 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.593 11.367 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.110 9.873 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.861 12.122 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.829 12.086 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.752 9.910 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.701 9.823 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.257 10.600 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.756 12.072 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.675 12.553 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.050 12.293 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.921 11.084 7.108 1.00 0.00 H new ATOM 1657 N TYR A 110 0.695 12.025 0.036 1.00 0.00 N ATOM 1658 CA TYR A 110 1.262 13.108 -0.762 1.00 0.00 C ATOM 1659 C TYR A 110 1.581 14.329 0.103 1.00 0.00 C ATOM 1660 O TYR A 110 2.139 15.313 -0.382 1.00 0.00 O ATOM 1661 CB TYR A 110 0.305 13.496 -1.893 1.00 0.00 C ATOM 1662 CG TYR A 110 -1.038 14.004 -1.417 1.00 0.00 C ATOM 1663 CD1 TYR A 110 -2.057 13.122 -1.076 1.00 0.00 C ATOM 1664 CD2 TYR A 110 -1.290 15.366 -1.314 1.00 0.00 C ATOM 1665 CE1 TYR A 110 -3.286 13.582 -0.644 1.00 0.00 C ATOM 1666 CE2 TYR A 110 -2.517 15.835 -0.884 1.00 0.00 C ATOM 1667 CZ TYR A 110 -3.510 14.940 -0.550 1.00 0.00 C ATOM 1668 OH TYR A 110 -4.734 15.403 -0.122 1.00 0.00 O ATOM 0 H TYR A 110 -0.316 11.920 -0.050 1.00 0.00 H new ATOM 0 HA TYR A 110 2.196 12.749 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.776 14.265 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.147 12.629 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.885 12.058 -1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.514 16.071 -1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -4.066 12.883 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.697 16.897 -0.810 1.00 0.00 H new ATOM 0 HH TYR A 110 -4.727 16.383 -0.111 1.00 0.00 H new ATOM 1678 N LYS A 111 1.229 14.257 1.386 1.00 0.00 N ATOM 1679 CA LYS A 111 1.486 15.354 2.314 1.00 0.00 C ATOM 1680 C LYS A 111 1.012 14.992 3.717 1.00 0.00 C ATOM 1681 O LYS A 111 0.158 14.122 3.890 1.00 0.00 O ATOM 1682 CB LYS A 111 0.793 16.634 1.841 1.00 0.00 C ATOM 1683 CG LYS A 111 -0.645 16.423 1.399 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.628 16.859 2.472 1.00 0.00 C ATOM 1685 CE LYS A 111 -2.025 18.316 2.304 1.00 0.00 C ATOM 1686 NZ LYS A 111 -0.935 19.241 2.720 1.00 0.00 N ATOM 0 H LYS A 111 0.766 13.451 1.805 1.00 0.00 H new ATOM 0 HA LYS A 111 2.562 15.529 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.812 17.366 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.360 17.058 1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.831 16.985 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.804 15.370 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.518 16.231 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.183 16.713 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.282 18.504 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.918 18.519 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.304 20.212 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.578 18.959 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.161 19.199 2.027 1.00 0.00 H new ATOM 1700 N ALA A 112 1.575 15.661 4.716 1.00 0.00 N ATOM 1701 CA ALA A 112 1.216 15.406 6.105 1.00 0.00 C ATOM 1702 C ALA A 112 -0.234 15.790 6.386 1.00 0.00 C ATOM 1703 O ALA A 112 -0.777 16.706 5.768 1.00 0.00 O ATOM 1704 CB ALA A 112 2.151 16.164 7.035 1.00 0.00 C ATOM 0 H ALA A 112 2.283 16.385 4.590 1.00 0.00 H new ATOM 0 HA ALA A 112 1.319 14.336 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.874 15.966 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.177 15.837 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.074 17.233 6.837 1.00 0.00 H new ATOM 1710 N MET A 113 -0.852 15.082 7.326 1.00 0.00 N ATOM 1711 CA MET A 113 -2.237 15.340 7.700 1.00 0.00 C ATOM 1712 C MET A 113 -2.321 16.459 8.728 1.00 0.00 C ATOM 1713 O MET A 113 -1.649 16.425 9.760 1.00 0.00 O ATOM 1714 CB MET A 113 -2.877 14.071 8.261 1.00 0.00 C ATOM 1715 CG MET A 113 -2.794 12.885 7.315 1.00 0.00 C ATOM 1716 SD MET A 113 -1.567 11.670 7.829 1.00 0.00 S ATOM 1717 CE MET A 113 -2.075 11.373 9.521 1.00 0.00 C ATOM 0 H MET A 113 -0.412 14.322 7.845 1.00 0.00 H new ATOM 0 HA MET A 113 -2.778 15.650 6.806 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.389 13.812 9.201 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.924 14.271 8.490 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.771 12.405 7.254 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.550 13.240 6.314 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.345 11.810 10.202 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.050 11.829 9.693 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.140 10.299 9.698 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.158 17.447 8.440 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.346 18.578 9.333 1.00 0.00 C ATOM 1729 C LYS A 114 -4.019 18.147 10.635 1.00 0.00 C ATOM 1730 O LYS A 114 -4.093 18.925 11.587 1.00 0.00 O ATOM 1731 CB LYS A 114 -4.182 19.661 8.644 1.00 0.00 C ATOM 1732 CG LYS A 114 -3.526 21.034 8.652 1.00 0.00 C ATOM 1733 CD LYS A 114 -2.974 21.397 7.282 1.00 0.00 C ATOM 1734 CE LYS A 114 -1.707 20.619 6.970 1.00 0.00 C ATOM 1735 NZ LYS A 114 -0.694 20.744 8.055 1.00 0.00 N ATOM 0 H LYS A 114 -3.720 17.486 7.589 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.364 18.983 9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.369 19.363 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.152 19.728 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.253 21.784 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.720 21.049 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.725 21.192 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.765 22.466 7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.954 19.567 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.282 20.980 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.251 20.858 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.915 21.574 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.710 19.888 8.645 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.512 16.908 10.680 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.171 16.403 11.881 1.00 0.00 C ATOM 1751 C LYS A 115 -4.340 15.305 12.550 1.00 0.00 C ATOM 1752 O LYS A 115 -3.131 15.222 12.335 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.599 15.935 11.572 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.772 15.345 10.193 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.520 13.859 10.213 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.638 13.127 10.942 1.00 0.00 C ATOM 1757 NZ LYS A 115 -7.258 12.781 12.339 1.00 0.00 N ATOM 0 H LYS A 115 -4.468 16.244 9.907 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.248 17.224 12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.894 15.192 12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.278 16.781 11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.781 15.543 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.084 15.826 9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.441 13.486 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.567 13.654 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.533 13.750 10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.890 12.216 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.788 11.940 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.238 12.583 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.482 13.579 12.968 1.00 0.00 H new ATOM 1771 N GLU A 116 -4.978 14.487 13.385 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.281 13.434 14.104 1.00 0.00 C ATOM 1773 C GLU A 116 -3.965 12.240 13.212 1.00 0.00 C ATOM 1774 O GLU A 116 -4.530 12.086 12.130 1.00 0.00 O ATOM 1775 CB GLU A 116 -5.124 12.977 15.295 1.00 0.00 C ATOM 1776 CG GLU A 116 -5.776 14.120 16.057 1.00 0.00 C ATOM 1777 CD GLU A 116 -7.291 14.073 16.001 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -7.855 14.375 14.928 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -7.912 13.734 17.031 1.00 0.00 O ATOM 0 H GLU A 116 -5.978 14.537 13.577 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.333 13.846 14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.900 12.299 14.940 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.493 12.409 15.979 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.454 14.087 17.098 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.431 15.069 15.646 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.064 11.392 13.695 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.664 10.196 12.972 1.00 0.00 C ATOM 1788 C PHE A 117 -3.199 8.952 13.676 1.00 0.00 C ATOM 1789 O PHE A 117 -3.306 8.921 14.901 1.00 0.00 O ATOM 1790 CB PHE A 117 -1.139 10.113 12.860 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.404 10.774 13.993 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -0.451 10.240 15.271 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.334 11.928 13.779 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.223 10.845 16.314 1.00 0.00 C ATOM 1795 CE2 PHE A 117 1.009 12.537 14.820 1.00 0.00 C ATOM 1796 CZ PHE A 117 0.955 11.994 16.088 1.00 0.00 C ATOM 0 H PHE A 117 -2.595 11.515 14.592 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.084 10.249 11.968 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.845 9.064 12.813 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.829 10.573 11.922 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.021 9.341 15.453 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.382 12.356 12.788 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.178 10.420 17.306 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.578 13.437 14.642 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.484 12.467 16.902 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.549 7.913 12.907 1.00 0.00 N ATOM 1807 CA PRO A 118 -4.078 6.668 13.456 1.00 0.00 C ATOM 1808 C PRO A 118 -2.983 5.745 13.959 1.00 0.00 C ATOM 1809 O PRO A 118 -1.852 5.801 13.478 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.798 6.054 12.259 1.00 0.00 C ATOM 1811 CG PRO A 118 -4.032 6.525 11.074 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.455 7.870 11.436 1.00 0.00 C ATOM 0 HA PRO A 118 -4.718 6.833 14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.806 4.966 12.318 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.837 6.379 12.213 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.240 5.820 10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.680 6.604 10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.423 7.966 11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.017 8.683 10.976 1.00 0.00 H new ATOM 1820 N SER A 119 -3.326 4.875 14.913 1.00 0.00 N ATOM 1821 CA SER A 119 -2.365 3.915 15.447 1.00 0.00 C ATOM 1822 C SER A 119 -2.024 2.946 14.333 1.00 0.00 C ATOM 1823 O SER A 119 -2.432 1.785 14.341 1.00 0.00 O ATOM 1824 CB SER A 119 -2.949 3.168 16.649 1.00 0.00 C ATOM 1825 OG SER A 119 -1.922 2.672 17.490 1.00 0.00 O ATOM 0 H SER A 119 -4.256 4.818 15.327 1.00 0.00 H new ATOM 0 HA SER A 119 -1.470 4.431 15.794 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.597 3.836 17.216 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.569 2.342 16.301 1.00 0.00 H new ATOM 0 HG SER A 119 -2.321 2.201 18.251 1.00 0.00 H new ATOM 1831 N ILE A 120 -1.327 3.473 13.343 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.975 2.728 12.158 1.00 0.00 C ATOM 1833 C ILE A 120 0.348 3.228 11.588 1.00 0.00 C ATOM 1834 O ILE A 120 1.228 2.444 11.234 1.00 0.00 O ATOM 1835 CB ILE A 120 -2.108 2.911 11.123 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -3.266 1.969 11.440 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.621 2.708 9.703 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -2.929 0.513 11.249 1.00 0.00 C ATOM 0 H ILE A 120 -0.989 4.436 13.343 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.855 1.672 12.402 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.458 3.941 11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.581 2.128 12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.115 2.223 10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.451 2.846 9.010 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.838 3.432 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.223 1.699 9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.799 -0.097 11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -2.643 0.339 10.212 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -2.101 0.242 11.904 1.00 0.00 H new ATOM 1850 N LEU A 121 0.471 4.547 11.511 1.00 0.00 N ATOM 1851 CA LEU A 121 1.675 5.183 10.992 1.00 0.00 C ATOM 1852 C LEU A 121 2.286 6.121 12.030 1.00 0.00 C ATOM 1853 O LEU A 121 2.910 7.124 11.683 1.00 0.00 O ATOM 1854 CB LEU A 121 1.370 5.951 9.697 1.00 0.00 C ATOM 1855 CG LEU A 121 0.129 6.862 9.712 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -1.146 6.056 9.502 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.046 7.668 11.001 1.00 0.00 C ATOM 0 H LEU A 121 -0.254 5.201 11.804 1.00 0.00 H new ATOM 0 HA LEU A 121 2.398 4.398 10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.238 6.562 9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.251 5.227 8.891 1.00 0.00 H new ATOM 0 HG LEU A 121 0.230 7.563 8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.006 6.725 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.100 5.546 8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.246 5.319 10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.842 8.300 10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.014 6.989 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.934 8.293 11.097 1.00 0.00 H new ATOM 1869 N ARG A 122 2.096 5.787 13.307 1.00 0.00 N ATOM 1870 CA ARG A 122 2.613 6.595 14.415 1.00 0.00 C ATOM 1871 C ARG A 122 4.005 7.146 14.118 1.00 0.00 C ATOM 1872 O ARG A 122 4.251 8.343 14.258 1.00 0.00 O ATOM 1873 CB ARG A 122 2.646 5.767 15.702 1.00 0.00 C ATOM 1874 CG ARG A 122 3.229 4.376 15.518 1.00 0.00 C ATOM 1875 CD ARG A 122 2.956 3.494 16.726 1.00 0.00 C ATOM 1876 NE ARG A 122 4.057 2.572 16.992 1.00 0.00 N ATOM 1877 CZ ARG A 122 4.237 1.947 18.152 1.00 0.00 C ATOM 1878 NH1 ARG A 122 3.393 2.141 19.157 1.00 0.00 N ATOM 1879 NH2 ARG A 122 5.265 1.124 18.308 1.00 0.00 N ATOM 0 H ARG A 122 1.584 4.956 13.602 1.00 0.00 H new ATOM 0 HA ARG A 122 1.940 7.443 14.542 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.231 6.300 16.452 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.632 5.678 16.092 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.802 3.916 14.627 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.304 4.449 15.355 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.789 4.121 17.602 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.040 2.927 16.561 1.00 0.00 H new ATOM 0 HE ARG A 122 4.728 2.397 16.244 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.600 2.773 19.043 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.537 1.659 20.044 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.917 0.971 17.539 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.404 0.644 19.197 1.00 0.00 H new ATOM 1893 N PHE A 123 4.910 6.268 13.710 1.00 0.00 N ATOM 1894 CA PHE A 123 6.275 6.671 13.397 1.00 0.00 C ATOM 1895 C PHE A 123 6.990 5.594 12.591 1.00 0.00 C ATOM 1896 O PHE A 123 8.213 5.463 12.657 1.00 0.00 O ATOM 1897 CB PHE A 123 7.052 6.963 14.681 1.00 0.00 C ATOM 1898 CG PHE A 123 8.199 7.914 14.487 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.032 9.082 13.760 1.00 0.00 C ATOM 1900 CD2 PHE A 123 9.444 7.639 15.028 1.00 0.00 C ATOM 1901 CE1 PHE A 123 9.084 9.958 13.579 1.00 0.00 C ATOM 1902 CE2 PHE A 123 10.501 8.511 14.850 1.00 0.00 C ATOM 1903 CZ PHE A 123 10.322 9.673 14.124 1.00 0.00 C ATOM 0 H PHE A 123 4.725 5.272 13.588 1.00 0.00 H new ATOM 0 HA PHE A 123 6.228 7.579 12.795 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.369 7.377 15.423 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.433 6.026 15.086 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.068 9.310 13.330 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.590 6.732 15.596 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.940 10.866 13.012 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.466 8.285 15.278 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.146 10.356 13.983 1.00 0.00 H new ATOM 1913 N ILE A 124 6.221 4.821 11.834 1.00 0.00 N ATOM 1914 CA ILE A 124 6.771 3.755 11.022 1.00 0.00 C ATOM 1915 C ILE A 124 7.237 4.286 9.666 1.00 0.00 C ATOM 1916 O ILE A 124 7.219 5.492 9.423 1.00 0.00 O ATOM 1917 CB ILE A 124 5.726 2.644 10.819 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.627 3.098 9.854 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.126 2.237 12.158 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.521 2.079 9.668 1.00 0.00 C ATOM 0 H ILE A 124 5.208 4.918 11.769 1.00 0.00 H new ATOM 0 HA ILE A 124 7.633 3.342 11.546 1.00 0.00 H new ATOM 0 HB ILE A 124 6.224 1.779 10.380 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.194 4.028 10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.075 3.317 8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.388 1.450 12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.915 1.869 12.814 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.645 3.100 12.618 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.779 2.470 8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 124 3.941 1.155 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.046 1.878 10.628 1.00 0.00 H new ATOM 1932 N THR A 125 7.653 3.381 8.786 1.00 0.00 N ATOM 1933 CA THR A 125 8.119 3.767 7.460 1.00 0.00 C ATOM 1934 C THR A 125 7.025 4.504 6.693 1.00 0.00 C ATOM 1935 O THR A 125 6.130 3.884 6.122 1.00 0.00 O ATOM 1936 CB THR A 125 8.566 2.532 6.675 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.658 1.897 7.316 1.00 0.00 O ATOM 1938 CG2 THR A 125 8.988 2.842 5.255 1.00 0.00 C ATOM 0 H THR A 125 7.677 2.377 8.967 1.00 0.00 H new ATOM 0 HA THR A 125 8.969 4.439 7.581 1.00 0.00 H new ATOM 0 HB THR A 125 7.692 1.882 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.927 1.109 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.292 1.922 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.152 3.287 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.824 3.541 5.268 1.00 0.00 H new ATOM 1946 N VAL A 126 7.101 5.831 6.686 1.00 0.00 N ATOM 1947 CA VAL A 126 6.115 6.647 5.991 1.00 0.00 C ATOM 1948 C VAL A 126 6.734 7.380 4.805 1.00 0.00 C ATOM 1949 O VAL A 126 7.887 7.807 4.858 1.00 0.00 O ATOM 1950 CB VAL A 126 5.471 7.671 6.945 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.486 8.717 7.389 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.267 8.329 6.289 1.00 0.00 C ATOM 0 H VAL A 126 7.835 6.363 7.154 1.00 0.00 H new ATOM 0 HA VAL A 126 5.345 5.970 5.622 1.00 0.00 H new ATOM 0 HB VAL A 126 5.129 7.139 7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.006 9.428 8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.310 8.227 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.869 9.246 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.825 9.049 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.583 8.842 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.529 7.568 6.037 1.00 0.00 H new ATOM 1962 N CYS A 127 5.959 7.521 3.734 1.00 0.00 N ATOM 1963 CA CYS A 127 6.430 8.201 2.533 1.00 0.00 C ATOM 1964 C CYS A 127 5.722 9.539 2.348 1.00 0.00 C ATOM 1965 O CYS A 127 4.492 9.607 2.339 1.00 0.00 O ATOM 1966 CB CYS A 127 6.208 7.321 1.302 1.00 0.00 C ATOM 1967 SG CYS A 127 7.117 5.758 1.341 1.00 0.00 S ATOM 0 H CYS A 127 5.002 7.173 3.674 1.00 0.00 H new ATOM 0 HA CYS A 127 7.497 8.389 2.650 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.143 7.108 1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.502 7.878 0.412 1.00 0.00 H new ATOM 0 HG CYS A 127 6.864 5.082 0.260 1.00 0.00 H new ATOM 1973 N ASP A 128 6.507 10.601 2.194 1.00 0.00 N ATOM 1974 CA ASP A 128 5.959 11.939 2.004 1.00 0.00 C ATOM 1975 C ASP A 128 6.752 12.698 0.945 1.00 0.00 C ATOM 1976 O ASP A 128 7.942 12.447 0.753 1.00 0.00 O ATOM 1977 CB ASP A 128 5.978 12.714 3.324 1.00 0.00 C ATOM 1978 CG ASP A 128 5.017 13.885 3.319 1.00 0.00 C ATOM 1979 OD1 ASP A 128 4.082 13.884 2.492 1.00 0.00 O ATOM 1980 OD2 ASP A 128 5.198 14.806 4.144 1.00 0.00 O ATOM 0 H ASP A 128 7.526 10.560 2.197 1.00 0.00 H new ATOM 0 HA ASP A 128 4.928 11.841 1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.722 12.040 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.988 13.077 3.515 1.00 0.00 H new ATOM 1985 N TYR A 129 6.091 13.621 0.255 1.00 0.00 N ATOM 1986 CA TYR A 129 6.749 14.404 -0.784 1.00 0.00 C ATOM 1987 C TYR A 129 7.622 15.497 -0.178 1.00 0.00 C ATOM 1988 O TYR A 129 7.287 16.681 -0.241 1.00 0.00 O ATOM 1989 CB TYR A 129 5.719 15.024 -1.730 1.00 0.00 C ATOM 1990 CG TYR A 129 5.000 14.011 -2.595 1.00 0.00 C ATOM 1991 CD1 TYR A 129 5.689 12.956 -3.180 1.00 0.00 C ATOM 1992 CD2 TYR A 129 3.633 14.111 -2.826 1.00 0.00 C ATOM 1993 CE1 TYR A 129 5.037 12.029 -3.971 1.00 0.00 C ATOM 1994 CE2 TYR A 129 2.974 13.187 -3.615 1.00 0.00 C ATOM 1995 CZ TYR A 129 3.680 12.150 -4.186 1.00 0.00 C ATOM 1996 OH TYR A 129 3.027 11.228 -4.972 1.00 0.00 O ATOM 0 H TYR A 129 5.106 13.844 0.395 1.00 0.00 H new ATOM 0 HA TYR A 129 7.387 13.727 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.984 15.574 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.219 15.748 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.752 12.859 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 129 3.077 14.923 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.587 11.214 -4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.911 13.277 -3.783 1.00 0.00 H new ATOM 0 HH TYR A 129 3.480 10.362 -4.905 1.00 0.00 H new ATOM 2006 N THR A 130 8.751 15.095 0.394 1.00 0.00 N ATOM 2007 CA THR A 130 9.681 16.042 0.994 1.00 0.00 C ATOM 2008 C THR A 130 10.679 16.518 -0.053 1.00 0.00 C ATOM 2009 O THR A 130 11.721 15.896 -0.260 1.00 0.00 O ATOM 2010 CB THR A 130 10.418 15.404 2.174 1.00 0.00 C ATOM 2011 OG1 THR A 130 11.499 16.219 2.591 1.00 0.00 O ATOM 2012 CG2 THR A 130 10.972 14.030 1.864 1.00 0.00 C ATOM 0 H THR A 130 9.044 14.120 0.455 1.00 0.00 H new ATOM 0 HA THR A 130 9.116 16.897 1.366 1.00 0.00 H new ATOM 0 HB THR A 130 9.670 15.307 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.956 15.795 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.482 13.636 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 130 10.156 13.362 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.678 14.101 1.037 1.00 0.00 H new ATOM 2020 N ASN A 131 10.340 17.611 -0.730 1.00 0.00 N ATOM 2021 CA ASN A 131 11.193 18.155 -1.778 1.00 0.00 C ATOM 2022 C ASN A 131 11.213 17.209 -2.976 1.00 0.00 C ATOM 2023 O ASN A 131 12.275 16.782 -3.428 1.00 0.00 O ATOM 2024 CB ASN A 131 12.618 18.383 -1.258 1.00 0.00 C ATOM 2025 CG ASN A 131 12.643 19.159 0.044 1.00 0.00 C ATOM 2026 OD1 ASN A 131 11.611 19.355 0.685 1.00 0.00 O ATOM 2027 ND2 ASN A 131 13.829 19.606 0.442 1.00 0.00 N ATOM 0 H ASN A 131 9.480 18.136 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 131 10.787 19.117 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 131 13.107 17.420 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 131 13.194 18.922 -2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 131 13.909 20.135 1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 131 14.659 19.420 -0.121 1.00 0.00 H new ATOM 2034 N PRO A 132 10.021 16.864 -3.503 1.00 0.00 N ATOM 2035 CA PRO A 132 9.892 15.958 -4.649 1.00 0.00 C ATOM 2036 C PRO A 132 10.691 16.432 -5.855 1.00 0.00 C ATOM 2037 O PRO A 132 11.026 15.642 -6.738 1.00 0.00 O ATOM 2038 CB PRO A 132 8.387 15.969 -4.962 1.00 0.00 C ATOM 2039 CG PRO A 132 7.838 17.146 -4.231 1.00 0.00 C ATOM 2040 CD PRO A 132 8.711 17.326 -3.025 1.00 0.00 C ATOM 0 HA PRO A 132 10.280 14.965 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.210 16.055 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.911 15.045 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 132 7.851 18.037 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.801 16.976 -3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.742 18.366 -2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.358 16.737 -2.178 1.00 0.00 H new ATOM 2048 N CYS A 133 10.995 17.726 -5.886 1.00 0.00 N ATOM 2049 CA CYS A 133 11.761 18.310 -6.985 1.00 0.00 C ATOM 2050 C CYS A 133 12.980 17.451 -7.313 1.00 0.00 C ATOM 2051 O CYS A 133 13.319 17.253 -8.481 1.00 0.00 O ATOM 2052 CB CYS A 133 12.200 19.732 -6.630 1.00 0.00 C ATOM 2053 SG CYS A 133 11.847 20.956 -7.914 1.00 0.00 S ATOM 0 H CYS A 133 10.723 18.392 -5.163 1.00 0.00 H new ATOM 0 HA CYS A 133 11.119 18.347 -7.865 1.00 0.00 H new ATOM 0 HB2 CYS A 133 11.703 20.035 -5.708 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.271 19.731 -6.429 1.00 0.00 H new ATOM 0 HG CYS A 133 12.252 22.127 -7.521 1.00 0.00 H new ATOM 2059 N THR A 134 13.627 16.940 -6.274 1.00 0.00 N ATOM 2060 CA THR A 134 14.804 16.094 -6.440 1.00 0.00 C ATOM 2061 C THR A 134 14.558 14.703 -5.864 1.00 0.00 C ATOM 2062 O THR A 134 15.130 13.719 -6.332 1.00 0.00 O ATOM 2063 CB THR A 134 16.019 16.733 -5.765 1.00 0.00 C ATOM 2064 OG1 THR A 134 17.116 15.838 -5.755 1.00 0.00 O ATOM 2065 CG2 THR A 134 15.757 17.155 -4.335 1.00 0.00 C ATOM 0 H THR A 134 13.356 17.097 -5.303 1.00 0.00 H new ATOM 0 HA THR A 134 15.003 15.996 -7.507 1.00 0.00 H new ATOM 0 HB THR A 134 16.241 17.623 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 134 17.883 16.266 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 134 16.659 17.600 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 134 14.948 17.885 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.475 16.284 -3.744 1.00 0.00 H new ATOM 2073 N LYS A 135 13.699 14.630 -4.852 1.00 0.00 N ATOM 2074 CA LYS A 135 13.367 13.362 -4.212 1.00 0.00 C ATOM 2075 C LYS A 135 12.423 12.531 -5.084 1.00 0.00 C ATOM 2076 O LYS A 135 12.090 11.398 -4.738 1.00 0.00 O ATOM 2077 CB LYS A 135 12.731 13.610 -2.842 1.00 0.00 C ATOM 2078 CG LYS A 135 13.350 12.780 -1.727 1.00 0.00 C ATOM 2079 CD LYS A 135 13.598 13.613 -0.480 1.00 0.00 C ATOM 2080 CE LYS A 135 14.684 13.004 0.392 1.00 0.00 C ATOM 2081 NZ LYS A 135 16.031 13.122 -0.233 1.00 0.00 N ATOM 0 H LYS A 135 13.218 15.438 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 135 14.292 12.801 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 135 12.825 14.667 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.665 13.389 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.690 11.947 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 135 14.291 12.351 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 135 13.886 14.624 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 135 12.674 13.696 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 135 14.690 13.499 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.458 11.953 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 16.763 13.018 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 16.148 12.377 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 16.123 14.054 -0.685 1.00 0.00 H new ATOM 2095 N SER A 136 11.989 13.104 -6.211 1.00 0.00 N ATOM 2096 CA SER A 136 11.075 12.427 -7.135 1.00 0.00 C ATOM 2097 C SER A 136 11.395 10.936 -7.281 1.00 0.00 C ATOM 2098 O SER A 136 10.503 10.127 -7.534 1.00 0.00 O ATOM 2099 CB SER A 136 11.122 13.099 -8.507 1.00 0.00 C ATOM 2100 OG SER A 136 10.508 12.288 -9.496 1.00 0.00 O ATOM 0 H SER A 136 12.259 14.042 -6.506 1.00 0.00 H new ATOM 0 HA SER A 136 10.073 12.510 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 136 10.618 14.064 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 136 12.158 13.294 -8.784 1.00 0.00 H new ATOM 0 HG SER A 136 10.550 12.742 -10.364 1.00 0.00 H new ATOM 2106 N TRP A 137 12.666 10.577 -7.119 1.00 0.00 N ATOM 2107 CA TRP A 137 13.086 9.182 -7.235 1.00 0.00 C ATOM 2108 C TRP A 137 12.345 8.286 -6.240 1.00 0.00 C ATOM 2109 O TRP A 137 12.386 7.063 -6.355 1.00 0.00 O ATOM 2110 CB TRP A 137 14.595 9.059 -7.019 1.00 0.00 C ATOM 2111 CG TRP A 137 15.041 9.486 -5.654 1.00 0.00 C ATOM 2112 CD1 TRP A 137 15.433 10.738 -5.276 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.146 8.663 -4.488 1.00 0.00 C ATOM 2114 NE1 TRP A 137 15.773 10.743 -3.945 1.00 0.00 N ATOM 2115 CE2 TRP A 137 15.606 9.481 -3.439 1.00 0.00 C ATOM 2116 CE3 TRP A 137 14.896 7.311 -4.228 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 15.818 8.994 -2.152 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 15.107 6.830 -2.950 1.00 0.00 C ATOM 2119 CH2 TRP A 137 15.564 7.669 -1.926 1.00 0.00 C ATOM 0 H TRP A 137 13.421 11.230 -6.908 1.00 0.00 H new ATOM 0 HA TRP A 137 12.837 8.848 -8.242 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.894 8.024 -7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 137 15.111 9.662 -7.766 1.00 0.00 H new ATOM 0 HD1 TRP A 137 15.470 11.598 -5.928 1.00 0.00 H new ATOM 0 HE1 TRP A 137 16.097 11.555 -3.419 1.00 0.00 H new ATOM 0 HE3 TRP A 137 14.545 6.656 -5.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 16.170 9.639 -1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 14.916 5.789 -2.737 1.00 0.00 H new ATOM 0 HH2 TRP A 137 15.719 7.262 -0.938 1.00 0.00 H new ATOM 2130 N PHE A 138 11.671 8.898 -5.262 1.00 0.00 N ATOM 2131 CA PHE A 138 10.926 8.151 -4.249 1.00 0.00 C ATOM 2132 C PHE A 138 10.148 6.991 -4.869 1.00 0.00 C ATOM 2133 O PHE A 138 9.960 5.949 -4.238 1.00 0.00 O ATOM 2134 CB PHE A 138 9.967 9.086 -3.507 1.00 0.00 C ATOM 2135 CG PHE A 138 10.310 9.274 -2.057 1.00 0.00 C ATOM 2136 CD1 PHE A 138 11.608 9.570 -1.673 1.00 0.00 C ATOM 2137 CD2 PHE A 138 9.336 9.155 -1.080 1.00 0.00 C ATOM 2138 CE1 PHE A 138 11.927 9.743 -0.338 1.00 0.00 C ATOM 2139 CE2 PHE A 138 9.648 9.327 0.254 1.00 0.00 C ATOM 2140 CZ PHE A 138 10.945 9.621 0.626 1.00 0.00 C ATOM 0 H PHE A 138 11.627 9.911 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 138 11.645 7.735 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 138 9.967 10.058 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 138 8.955 8.689 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 138 12.379 9.667 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 138 8.320 8.925 -1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 138 12.942 9.973 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 138 8.878 9.232 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 138 11.191 9.755 1.669 1.00 0.00 H new ATOM 2150 N TRP A 139 9.702 7.175 -6.110 1.00 0.00 N ATOM 2151 CA TRP A 139 8.950 6.139 -6.813 1.00 0.00 C ATOM 2152 C TRP A 139 9.720 4.823 -6.816 1.00 0.00 C ATOM 2153 O TRP A 139 9.130 3.745 -6.753 1.00 0.00 O ATOM 2154 CB TRP A 139 8.660 6.577 -8.251 1.00 0.00 C ATOM 2155 CG TRP A 139 7.384 7.349 -8.392 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.253 7.208 -7.641 1.00 0.00 C ATOM 2157 CD2 TRP A 139 7.109 8.382 -9.344 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.291 8.091 -8.068 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.792 8.823 -9.112 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.847 8.978 -10.371 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 5.200 9.831 -9.868 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 7.258 9.978 -11.121 1.00 0.00 C ATOM 2163 CH2 TRP A 139 5.945 10.396 -10.866 1.00 0.00 C ATOM 0 H TRP A 139 9.848 8.029 -6.648 1.00 0.00 H new ATOM 0 HA TRP A 139 8.006 5.989 -6.290 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.488 7.189 -8.611 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.615 5.695 -8.890 1.00 0.00 H new ATOM 0 HD1 TRP A 139 6.132 6.505 -6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.356 8.186 -7.672 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.860 8.662 -10.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 4.188 10.155 -9.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.819 10.445 -11.917 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.513 11.180 -11.470 1.00 0.00 H new ATOM 2174 N THR A 140 11.043 4.925 -6.881 1.00 0.00 N ATOM 2175 CA THR A 140 11.903 3.749 -6.883 1.00 0.00 C ATOM 2176 C THR A 140 11.961 3.128 -5.491 1.00 0.00 C ATOM 2177 O THR A 140 12.069 1.910 -5.348 1.00 0.00 O ATOM 2178 CB THR A 140 13.311 4.126 -7.347 1.00 0.00 C ATOM 2179 OG1 THR A 140 13.255 5.101 -8.374 1.00 0.00 O ATOM 2180 CG2 THR A 140 14.104 2.950 -7.872 1.00 0.00 C ATOM 0 H THR A 140 11.543 5.812 -6.933 1.00 0.00 H new ATOM 0 HA THR A 140 11.486 3.017 -7.575 1.00 0.00 H new ATOM 0 HB THR A 140 13.813 4.514 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 140 13.124 5.987 -7.977 1.00 0.00 H new ATOM 0 HG21 THR A 140 15.092 3.288 -8.184 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.207 2.201 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.584 2.512 -8.724 1.00 0.00 H new ATOM 2188 N ARG A 141 11.885 3.975 -4.470 1.00 0.00 N ATOM 2189 CA ARG A 141 11.926 3.515 -3.087 1.00 0.00 C ATOM 2190 C ARG A 141 10.799 2.524 -2.811 1.00 0.00 C ATOM 2191 O ARG A 141 11.031 1.429 -2.299 1.00 0.00 O ATOM 2192 CB ARG A 141 11.825 4.706 -2.129 1.00 0.00 C ATOM 2193 CG ARG A 141 13.077 4.924 -1.294 1.00 0.00 C ATOM 2194 CD ARG A 141 12.892 4.440 0.137 1.00 0.00 C ATOM 2195 NE ARG A 141 13.094 5.514 1.107 1.00 0.00 N ATOM 2196 CZ ARG A 141 12.169 6.416 1.422 1.00 0.00 C ATOM 2197 NH1 ARG A 141 10.972 6.380 0.844 1.00 0.00 N ATOM 2198 NH2 ARG A 141 12.436 7.358 2.316 1.00 0.00 N ATOM 0 H ARG A 141 11.795 4.986 -4.575 1.00 0.00 H new ATOM 0 HA ARG A 141 12.877 3.008 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.621 5.609 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 141 10.976 4.554 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 141 13.915 4.397 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.331 5.984 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 141 11.889 4.029 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 141 13.594 3.631 0.340 1.00 0.00 H new ATOM 0 HE ARG A 141 14.000 5.576 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 141 10.760 5.658 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.266 7.074 1.089 1.00 0.00 H new ATOM 0 HH21 ARG A 141 13.352 7.392 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 141 11.725 8.049 2.556 1.00 0.00 H new ATOM 2212 N LEU A 142 9.577 2.918 -3.154 1.00 0.00 N ATOM 2213 CA LEU A 142 8.414 2.063 -2.945 1.00 0.00 C ATOM 2214 C LEU A 142 8.410 0.905 -3.936 1.00 0.00 C ATOM 2215 O LEU A 142 8.010 -0.211 -3.602 1.00 0.00 O ATOM 2216 CB LEU A 142 7.125 2.879 -3.082 1.00 0.00 C ATOM 2217 CG LEU A 142 6.105 2.668 -1.960 1.00 0.00 C ATOM 2218 CD1 LEU A 142 5.021 3.734 -2.020 1.00 0.00 C ATOM 2219 CD2 LEU A 142 5.493 1.278 -2.052 1.00 0.00 C ATOM 0 H LEU A 142 9.366 3.822 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 142 8.467 1.653 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.385 3.937 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.654 2.630 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 142 6.620 2.754 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.304 3.570 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.473 4.719 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.508 3.678 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.770 1.145 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.991 1.164 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.279 0.528 -1.962 1.00 0.00 H new ATOM 2231 N ALA A 143 8.860 1.178 -5.155 1.00 0.00 N ATOM 2232 CA ALA A 143 8.913 0.158 -6.196 1.00 0.00 C ATOM 2233 C ALA A 143 9.845 -0.981 -5.800 1.00 0.00 C ATOM 2234 O ALA A 143 9.510 -2.154 -5.964 1.00 0.00 O ATOM 2235 CB ALA A 143 9.358 0.777 -7.514 1.00 0.00 C ATOM 0 H ALA A 143 9.193 2.097 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 143 7.912 -0.256 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.394 0.006 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.651 1.552 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.348 1.216 -7.394 1.00 0.00 H new ATOM 2241 N LYS A 144 11.012 -0.628 -5.274 1.00 0.00 N ATOM 2242 CA LYS A 144 11.993 -1.622 -4.851 1.00 0.00 C ATOM 2243 C LYS A 144 11.657 -2.163 -3.462 1.00 0.00 C ATOM 2244 O LYS A 144 12.094 -3.252 -3.088 1.00 0.00 O ATOM 2245 CB LYS A 144 13.398 -1.015 -4.850 1.00 0.00 C ATOM 2246 CG LYS A 144 13.577 0.107 -3.839 1.00 0.00 C ATOM 2247 CD LYS A 144 14.661 -0.219 -2.823 1.00 0.00 C ATOM 2248 CE LYS A 144 14.101 -0.987 -1.638 1.00 0.00 C ATOM 2249 NZ LYS A 144 14.709 -0.544 -0.352 1.00 0.00 N ATOM 0 H LYS A 144 11.303 0.339 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 144 11.963 -2.450 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 144 14.124 -1.801 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.620 -0.633 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.833 1.029 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 144 12.634 0.284 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.444 -0.807 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 144 15.123 0.704 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 144 13.020 -0.851 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.282 -2.053 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 14.301 -1.092 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 15.737 -0.698 -0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 14.514 0.467 -0.206 1.00 0.00 H new ATOM 2263 N ALA A 145 10.876 -1.399 -2.704 1.00 0.00 N ATOM 2264 CA ALA A 145 10.481 -1.804 -1.361 1.00 0.00 C ATOM 2265 C ALA A 145 9.306 -2.777 -1.400 1.00 0.00 C ATOM 2266 O ALA A 145 9.006 -3.441 -0.408 1.00 0.00 O ATOM 2267 CB ALA A 145 10.130 -0.582 -0.525 1.00 0.00 C ATOM 0 H ALA A 145 10.505 -0.496 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 145 11.325 -2.317 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.837 -0.898 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 145 10.997 0.075 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.304 -0.046 -0.993 1.00 0.00 H new ATOM 2273 N LEU A 146 8.645 -2.857 -2.551 1.00 0.00 N ATOM 2274 CA LEU A 146 7.505 -3.749 -2.716 1.00 0.00 C ATOM 2275 C LEU A 146 7.946 -5.116 -3.235 1.00 0.00 C ATOM 2276 O LEU A 146 7.199 -6.092 -3.147 1.00 0.00 O ATOM 2277 CB LEU A 146 6.482 -3.130 -3.675 1.00 0.00 C ATOM 2278 CG LEU A 146 5.111 -2.840 -3.063 1.00 0.00 C ATOM 2279 CD1 LEU A 146 5.247 -1.917 -1.860 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.184 -2.229 -4.103 1.00 0.00 C ATOM 0 H LEU A 146 8.880 -2.315 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 146 7.042 -3.888 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.892 -2.199 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 146 6.349 -3.802 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 146 4.678 -3.781 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.261 -1.722 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.877 -2.391 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 146 5.700 -0.976 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.212 -2.029 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 146 4.613 -1.296 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 146 4.061 -2.924 -4.934 1.00 0.00 H new ATOM 2292 N SER A 147 9.159 -5.184 -3.777 1.00 0.00 N ATOM 2293 CA SER A 147 9.685 -6.436 -4.307 1.00 0.00 C ATOM 2294 C SER A 147 11.189 -6.548 -4.066 1.00 0.00 C ATOM 2295 O SER A 147 11.946 -6.911 -4.968 1.00 0.00 O ATOM 2296 CB SER A 147 9.386 -6.541 -5.805 1.00 0.00 C ATOM 2297 OG SER A 147 8.236 -5.788 -6.149 1.00 0.00 O ATOM 0 H SER A 147 9.793 -4.389 -3.860 1.00 0.00 H new ATOM 0 HA SER A 147 9.194 -7.257 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 147 10.243 -6.184 -6.376 1.00 0.00 H new ATOM 0 HB3 SER A 147 9.235 -7.586 -6.077 1.00 0.00 H new ATOM 0 HG SER A 147 7.515 -6.396 -6.417 1.00 0.00 H new ATOM 2303 N LEU A 148 11.616 -6.244 -2.845 1.00 0.00 N ATOM 2304 CA LEU A 148 13.033 -6.328 -2.495 1.00 0.00 C ATOM 2305 C LEU A 148 13.539 -7.759 -2.658 1.00 0.00 C ATOM 2306 O LEU A 148 14.514 -8.006 -3.367 1.00 0.00 O ATOM 2307 CB LEU A 148 13.295 -5.854 -1.056 1.00 0.00 C ATOM 2308 CG LEU A 148 12.225 -4.950 -0.435 1.00 0.00 C ATOM 2309 CD1 LEU A 148 11.364 -5.729 0.547 1.00 0.00 C ATOM 2310 CD2 LEU A 148 12.872 -3.757 0.256 1.00 0.00 C ATOM 0 H LEU A 148 11.008 -5.939 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 148 13.572 -5.669 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 148 13.411 -6.733 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 148 14.246 -5.321 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 148 11.583 -4.582 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 148 10.611 -5.067 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.871 -6.550 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 148 11.992 -6.129 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 148 12.098 -3.125 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 148 13.538 -4.110 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 148 13.444 -3.181 -0.472 1.00 0.00 H new ATOM 2322 N PRO A 149 12.875 -8.723 -1.996 1.00 0.00 N ATOM 2323 CA PRO A 149 13.261 -10.137 -2.067 1.00 0.00 C ATOM 2324 C PRO A 149 12.866 -10.779 -3.391 1.00 0.00 C ATOM 2325 O PRO A 149 11.681 -11.142 -3.542 1.00 0.00 O ATOM 2326 CB PRO A 149 12.485 -10.768 -0.912 1.00 0.00 C ATOM 2327 CG PRO A 149 11.277 -9.910 -0.753 1.00 0.00 C ATOM 2328 CD PRO A 149 11.701 -8.513 -1.124 1.00 0.00 C ATOM 2329 OXT PRO A 149 13.747 -10.916 -4.267 1.00 0.00 O ATOM 0 HA PRO A 149 14.340 -10.272 -1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 149 12.211 -11.799 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 149 13.080 -10.787 0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 149 10.467 -10.255 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 149 10.907 -9.945 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 149 10.906 -7.978 -1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 149 11.957 -7.925 -0.243 1.00 0.00 H new TER 2337 PRO A 149