USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1376 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 139 TYR OH : rot 165:sc= -2.14! USER MOD Set 1.2: A 148 GLN : amide:sc= -8.75! C(o=-11!,f=-3.2!) USER MOD Set 2.1: A 114 CYS SG : rot 83:sc= -0.328 USER MOD Set 2.2: A 120 GLN : amide:sc= -4.63! C(o=-5!,f=-7.6!) USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0.816 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.933 K(o=1.7,f=0.24!) USER MOD Set 4.1: A 20 TYR OH : rot -167:sc=0.000829 USER MOD Set 4.2: A 22 CYS SG : rot 88:sc= -1.23! USER MOD Set 4.3: A 26 CYS SG : rot 123:sc= 1.49 USER MOD Set 4.4: A 82 CYS SG : rot 23:sc= 0.116 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -120:sc= -1.05 (180deg=-3.01!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 14 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.027) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 40:sc= -2.51! USER MOD Single : A 37 ASN : amide:sc= -6.76! C(o=-6.8!,f=-13!) USER MOD Single : A 38 SER OG : rot 60:sc= 1.2 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.76) USER MOD Single : A 55 SER OG : rot 44:sc= 0.151 USER MOD Single : A 57 HIS : no HD1:sc= -0.974! C(o=-0.97!,f=-2.8!) USER MOD Single : A 58 MET CE :methyl 160:sc= -0.0687 (180deg=-1.18) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.877 K(o=-0.88,f=-0.12) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -7.62! K(o=-7.6!,f=-2.1) USER MOD Single : A 81 SER OG : rot -120:sc= -0.203 USER MOD Single : A 86 HIS : no HD1:sc= -0.478 X(o=-0.48,f=0.0096) USER MOD Single : A 88 SER OG : rot 145:sc= 0.223 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -4.75! C(o=-4.8!,f=-4.2!) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= -1.99 (180deg=-4.71!) USER MOD Single : A 96 GLN : amide:sc= -0.798 X(o=-0.8,f=-0.91) USER MOD Single : A 100 LYS NZ :NH3+ 151:sc= -0.11 (180deg=-0.757) USER MOD Single : A 104 ASN : amide:sc= -1.91! C(o=-1.9!,f=-1.1!) USER MOD Single : A 106 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.37) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.467 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.306 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 41:sc= 0.174 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-4.2!) USER MOD Single : A 127 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.17) USER MOD Single : A 128 SER OG : rot -101:sc= 0.58 USER MOD Single : A 129 CYS SG : rot 17:sc= 0.608 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 143 ASN : amide:sc= -4.06! K(o=-4.1!,f=-1.6) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 120:sc= -1.59 USER MOD Single : A 153 LYS NZ :NH3+ 160:sc= -0.0898 (180deg=-0.703) USER MOD Single : A 154 LYS NZ :NH3+ 175:sc= -0.615 (180deg=-0.707) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.498 USER MOD Single : A 158 LYS NZ :NH3+ -159:sc= -0.157 (180deg=-0.885) USER MOD Single : A 166 SER OG : rot 180:sc=-0.00902 USER MOD Single : A 170 GLN : amide:sc= -0.0485 X(o=-0.048,f=0.011) USER MOD Single : A 171 SER OG : rot -158:sc=-0.00901 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.773 -11.427 -8.131 1.00 4.50 N ATOM 2 CA SER A 1 -16.924 -12.231 -7.208 1.00 4.52 C ATOM 3 C SER A 1 -17.308 -11.921 -5.760 1.00 3.57 C ATOM 4 O SER A 1 -16.523 -11.385 -5.002 1.00 3.03 O ATOM 5 CB SER A 1 -15.454 -11.876 -7.429 1.00 4.81 C ATOM 6 OG SER A 1 -15.033 -12.382 -8.688 1.00 5.28 O ATOM 0 H1 SER A 1 -17.512 -11.638 -9.115 1.00 4.50 H new ATOM 0 H2 SER A 1 -18.774 -11.666 -7.979 1.00 4.50 H new ATOM 0 H3 SER A 1 -17.627 -10.414 -7.944 1.00 4.50 H new ATOM 0 HA SER A 1 -17.077 -13.292 -7.406 1.00 4.52 H new ATOM 0 HB2 SER A 1 -15.320 -10.795 -7.395 1.00 4.81 H new ATOM 0 HB3 SER A 1 -14.842 -12.298 -6.632 1.00 4.81 H new ATOM 0 HG SER A 1 -14.091 -12.154 -8.834 1.00 5.28 H new ATOM 14 N LYS A 2 -18.508 -12.251 -5.369 1.00 3.60 N ATOM 15 CA LYS A 2 -18.936 -11.972 -3.968 1.00 3.08 C ATOM 16 C LYS A 2 -17.982 -12.669 -2.995 1.00 2.11 C ATOM 17 O LYS A 2 -18.128 -13.837 -2.696 1.00 2.12 O ATOM 18 CB LYS A 2 -20.361 -12.490 -3.754 1.00 3.28 C ATOM 19 CG LYS A 2 -21.334 -11.668 -4.603 1.00 3.95 C ATOM 20 CD LYS A 2 -22.748 -12.260 -4.506 1.00 4.66 C ATOM 21 CE LYS A 2 -22.798 -13.657 -5.152 1.00 5.66 C ATOM 22 NZ LYS A 2 -22.504 -14.692 -4.120 1.00 5.96 N ATOM 0 H LYS A 2 -19.210 -12.701 -5.957 1.00 3.60 H new ATOM 0 HA LYS A 2 -18.914 -10.897 -3.788 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -20.422 -13.543 -4.028 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -20.631 -12.419 -2.700 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -21.341 -10.632 -4.263 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -21.005 -11.660 -5.642 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -23.049 -12.326 -3.461 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -23.459 -11.599 -5.001 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -23.781 -13.833 -5.589 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -22.073 -13.721 -5.963 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -21.659 -15.230 -4.399 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -22.334 -14.230 -3.204 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -23.314 -15.339 -4.036 1.00 5.96 H new ATOM 36 N THR A 3 -17.031 -11.938 -2.468 1.00 1.72 N ATOM 37 CA THR A 3 -16.080 -12.522 -1.469 1.00 1.18 C ATOM 38 C THR A 3 -16.457 -11.990 -0.081 1.00 1.02 C ATOM 39 O THR A 3 -17.626 -11.891 0.238 1.00 1.63 O ATOM 40 CB THR A 3 -14.634 -12.100 -1.779 1.00 1.48 C ATOM 41 OG1 THR A 3 -14.427 -12.146 -3.183 1.00 2.13 O ATOM 42 CG2 THR A 3 -13.647 -13.050 -1.092 1.00 2.22 C ATOM 0 H THR A 3 -16.871 -10.955 -2.688 1.00 1.72 H new ATOM 0 HA THR A 3 -16.144 -13.609 -1.508 1.00 1.18 H new ATOM 0 HB THR A 3 -14.470 -11.088 -1.409 1.00 1.48 H new ATOM 0 HG1 THR A 3 -13.507 -11.876 -3.387 1.00 2.13 H new ATOM 0 HG21 THR A 3 -12.627 -12.741 -1.319 1.00 2.22 H new ATOM 0 HG22 THR A 3 -13.804 -13.020 -0.014 1.00 2.22 H new ATOM 0 HG23 THR A 3 -13.808 -14.066 -1.454 1.00 2.22 H new ATOM 50 N GLY A 4 -15.518 -11.644 0.757 1.00 0.52 N ATOM 51 CA GLY A 4 -15.880 -11.124 2.111 1.00 0.30 C ATOM 52 C GLY A 4 -14.574 -10.981 2.898 1.00 0.41 C ATOM 53 O GLY A 4 -14.134 -11.889 3.575 1.00 0.81 O ATOM 0 H GLY A 4 -14.518 -11.698 0.565 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -16.390 -10.164 2.032 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.563 -11.807 2.617 1.00 0.30 H new ATOM 57 N GLY A 5 -13.944 -9.838 2.786 1.00 0.01 N ATOM 58 CA GLY A 5 -12.653 -9.619 3.497 1.00 0.01 C ATOM 59 C GLY A 5 -12.892 -9.299 4.973 1.00 0.01 C ATOM 60 O GLY A 5 -13.893 -8.718 5.344 1.00 0.01 O ATOM 0 H GLY A 5 -14.271 -9.047 2.231 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.029 -10.509 3.410 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.108 -8.800 3.027 1.00 0.01 H new ATOM 64 N LYS A 6 -11.969 -9.673 5.819 1.00 0.00 N ATOM 65 CA LYS A 6 -12.118 -9.396 7.280 1.00 0.01 C ATOM 66 C LYS A 6 -10.737 -9.256 7.919 1.00 0.01 C ATOM 67 O LYS A 6 -9.828 -10.013 7.638 1.00 0.00 O ATOM 68 CB LYS A 6 -12.879 -10.536 7.960 1.00 0.02 C ATOM 69 CG LYS A 6 -13.317 -10.092 9.357 1.00 0.02 C ATOM 70 CD LYS A 6 -13.843 -11.299 10.140 1.00 0.02 C ATOM 71 CE LYS A 6 -15.112 -11.842 9.471 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.871 -12.672 10.450 1.00 0.02 N ATOM 0 H LYS A 6 -11.112 -10.162 5.560 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.677 -8.469 7.407 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.749 -10.813 7.365 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.246 -11.420 8.029 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.477 -9.641 9.886 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.092 -9.330 9.281 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -13.081 -12.077 10.180 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -14.059 -11.010 11.169 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.732 -11.018 9.119 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -14.849 -12.439 8.598 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.732 -13.041 9.998 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.278 -13.466 10.766 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.133 -12.089 11.270 1.00 0.02 H new ATOM 86 N ILE A 7 -10.584 -8.287 8.792 1.00 0.02 N ATOM 87 CA ILE A 7 -9.274 -8.069 9.483 1.00 0.00 C ATOM 88 C ILE A 7 -9.510 -7.955 10.994 1.00 0.02 C ATOM 89 O ILE A 7 -10.460 -7.340 11.439 1.00 0.01 O ATOM 90 CB ILE A 7 -8.610 -6.808 8.926 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.371 -6.465 9.755 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.588 -5.639 8.971 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.513 -5.448 8.996 1.00 0.02 C ATOM 0 H ILE A 7 -11.319 -7.632 9.057 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.607 -8.913 9.304 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.317 -6.992 7.892 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.668 -6.057 10.721 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.793 -7.367 9.955 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.106 -4.746 8.573 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.466 -5.876 8.371 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -9.892 -5.458 10.002 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.630 -5.204 9.587 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.204 -5.873 8.041 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.093 -4.542 8.819 1.00 0.02 H new ATOM 105 N SER A 8 -8.639 -8.541 11.785 1.00 0.02 N ATOM 106 CA SER A 8 -8.785 -8.475 13.279 1.00 0.02 C ATOM 107 C SER A 8 -7.544 -7.822 13.894 1.00 0.01 C ATOM 108 O SER A 8 -6.427 -8.206 13.620 1.00 0.02 O ATOM 109 CB SER A 8 -8.945 -9.884 13.853 1.00 0.30 C ATOM 110 OG SER A 8 -9.864 -10.616 13.052 1.00 0.39 O ATOM 0 H SER A 8 -7.828 -9.066 11.458 1.00 0.02 H new ATOM 0 HA SER A 8 -9.668 -7.883 13.518 1.00 0.02 H new ATOM 0 HB2 SER A 8 -7.981 -10.391 13.876 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.302 -9.832 14.881 1.00 0.30 H new ATOM 0 HG SER A 8 -9.967 -11.520 13.416 1.00 0.39 H new ATOM 116 N PHE A 9 -7.747 -6.841 14.741 1.00 0.02 N ATOM 117 CA PHE A 9 -6.604 -6.148 15.416 1.00 0.01 C ATOM 118 C PHE A 9 -6.599 -6.528 16.900 1.00 0.01 C ATOM 119 O PHE A 9 -7.641 -6.611 17.519 1.00 0.02 O ATOM 120 CB PHE A 9 -6.791 -4.632 15.309 1.00 0.02 C ATOM 121 CG PHE A 9 -6.975 -4.217 13.869 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.243 -4.274 13.280 1.00 0.01 C ATOM 123 CD2 PHE A 9 -5.879 -3.758 13.128 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.418 -3.871 11.951 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.053 -3.356 11.798 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.322 -3.412 11.211 1.00 0.02 C ATOM 0 H PHE A 9 -8.669 -6.487 14.996 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.669 -6.444 14.941 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.658 -4.325 15.895 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.925 -4.123 15.731 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.088 -4.629 13.852 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -4.900 -3.714 13.582 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.397 -3.914 11.497 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.208 -3.003 11.225 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.456 -3.101 10.186 1.00 0.02 H new ATOM 136 N TYR A 10 -5.442 -6.765 17.477 1.00 0.02 N ATOM 137 CA TYR A 10 -5.372 -7.149 18.929 1.00 0.01 C ATOM 138 C TYR A 10 -4.480 -6.156 19.680 1.00 0.02 C ATOM 139 O TYR A 10 -3.457 -5.730 19.183 1.00 0.01 O ATOM 140 CB TYR A 10 -4.772 -8.551 19.054 1.00 0.02 C ATOM 141 CG TYR A 10 -5.470 -9.498 18.101 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.229 -9.414 16.722 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.350 -10.469 18.597 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.869 -10.297 15.844 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.989 -11.351 17.718 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.747 -11.266 16.342 1.00 0.00 C ATOM 147 OH TYR A 10 -7.377 -12.136 15.475 1.00 0.02 O ATOM 0 H TYR A 10 -4.540 -6.709 17.004 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.375 -7.135 19.355 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.705 -8.520 18.833 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.875 -8.910 20.078 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.550 -8.668 16.337 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.535 -10.537 19.659 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.685 -10.230 14.782 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.669 -12.097 18.102 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.952 -12.746 15.983 1.00 0.02 H new ATOM 157 N GLU A 11 -4.877 -5.755 20.862 1.00 0.00 N ATOM 158 CA GLU A 11 -4.072 -4.754 21.621 1.00 0.02 C ATOM 159 C GLU A 11 -2.723 -5.325 22.066 1.00 0.03 C ATOM 160 O GLU A 11 -1.774 -4.583 22.230 1.00 0.03 O ATOM 161 CB GLU A 11 -4.849 -4.315 22.870 1.00 0.00 C ATOM 162 CG GLU A 11 -6.027 -3.425 22.471 1.00 0.00 C ATOM 163 CD GLU A 11 -6.636 -2.794 23.724 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.343 -3.274 24.807 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.384 -1.842 23.581 1.00 0.01 O ATOM 0 H GLU A 11 -5.723 -6.078 21.332 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.889 -3.909 20.957 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.211 -5.191 23.409 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.188 -3.774 23.548 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.693 -2.647 21.785 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.779 -4.013 21.945 1.00 0.00 H new ATOM 172 N ASP A 12 -2.609 -6.619 22.270 1.00 0.02 N ATOM 173 CA ASP A 12 -1.297 -7.198 22.714 1.00 0.01 C ATOM 174 C ASP A 12 -0.727 -8.123 21.636 1.00 0.02 C ATOM 175 O ASP A 12 -1.370 -8.444 20.657 1.00 0.02 O ATOM 176 CB ASP A 12 -1.492 -8.002 24.001 1.00 0.01 C ATOM 177 CG ASP A 12 -2.115 -7.107 25.075 1.00 0.01 C ATOM 178 OD1 ASP A 12 -1.670 -5.979 25.208 1.00 0.03 O ATOM 179 OD2 ASP A 12 -3.025 -7.565 25.745 1.00 0.02 O ATOM 0 H ASP A 12 -3.363 -7.295 22.149 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.603 -6.376 22.889 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.135 -8.861 23.811 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.535 -8.391 24.348 1.00 0.01 H new ATOM 184 N ARG A 13 0.493 -8.538 21.831 1.00 0.02 N ATOM 185 CA ARG A 13 1.170 -9.437 20.854 1.00 0.02 C ATOM 186 C ARG A 13 0.618 -10.859 20.978 1.00 0.00 C ATOM 187 O ARG A 13 0.082 -11.247 21.996 1.00 0.02 O ATOM 188 CB ARG A 13 2.674 -9.451 21.169 1.00 0.00 C ATOM 189 CG ARG A 13 3.337 -8.095 20.791 1.00 0.01 C ATOM 190 CD ARG A 13 3.704 -7.303 22.055 1.00 0.02 C ATOM 191 NE ARG A 13 2.466 -6.965 22.813 1.00 0.03 N ATOM 192 CZ ARG A 13 2.550 -6.568 24.055 1.00 0.02 C ATOM 193 NH1 ARG A 13 3.715 -6.469 24.634 1.00 0.02 N ATOM 194 NH2 ARG A 13 1.466 -6.273 24.720 1.00 0.02 N ATOM 0 H ARG A 13 1.060 -8.288 22.641 1.00 0.02 H new ATOM 0 HA ARG A 13 0.994 -9.076 19.841 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.825 -9.650 22.230 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.156 -10.261 20.621 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.232 -8.275 20.195 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.655 -7.510 20.174 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.376 -7.890 22.681 1.00 0.02 H new ATOM 0 HD3 ARG A 13 4.236 -6.391 21.783 1.00 0.02 H new ATOM 0 HE ARG A 13 1.554 -7.044 22.363 1.00 0.03 H new ATOM 0 HH11 ARG A 13 4.563 -6.702 24.117 1.00 0.02 H new ATOM 0 HH12 ARG A 13 3.778 -6.159 25.604 1.00 0.02 H new ATOM 0 HH21 ARG A 13 0.554 -6.353 24.270 1.00 0.02 H new ATOM 0 HH22 ARG A 13 1.531 -5.963 25.690 1.00 0.02 H new ATOM 208 N ASN A 14 0.768 -11.635 19.936 1.00 0.02 N ATOM 209 CA ASN A 14 0.286 -13.049 19.947 1.00 0.02 C ATOM 210 C ASN A 14 -1.244 -13.104 20.031 1.00 0.02 C ATOM 211 O ASN A 14 -1.823 -13.982 20.641 1.00 0.02 O ATOM 212 CB ASN A 14 0.923 -13.787 21.129 1.00 0.26 C ATOM 213 CG ASN A 14 0.890 -15.297 20.878 1.00 0.12 C ATOM 214 OD1 ASN A 14 0.128 -16.011 21.501 1.00 0.74 O ATOM 215 ND2 ASN A 14 1.689 -15.816 19.987 1.00 0.46 N ATOM 0 H ASN A 14 1.211 -11.344 19.064 1.00 0.02 H new ATOM 0 HA ASN A 14 0.581 -13.536 19.017 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.952 -13.454 21.265 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.387 -13.550 22.048 1.00 0.26 H new ATOM 0 HD21 ASN A 14 1.675 -16.821 19.813 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.328 -15.217 19.464 1.00 0.46 H new ATOM 222 N PHE A 15 -1.883 -12.150 19.399 1.00 0.02 N ATOM 223 CA PHE A 15 -3.379 -12.067 19.368 1.00 0.02 C ATOM 224 C PHE A 15 -3.967 -12.182 20.775 1.00 0.00 C ATOM 225 O PHE A 15 -4.941 -12.871 21.008 1.00 0.02 O ATOM 226 CB PHE A 15 -3.982 -13.142 18.431 1.00 0.02 C ATOM 227 CG PHE A 15 -3.209 -14.435 18.513 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.074 -14.619 17.715 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.626 -15.452 19.381 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.355 -15.819 17.785 1.00 0.02 C ATOM 231 CE2 PHE A 15 -2.908 -16.651 19.451 1.00 0.02 C ATOM 232 CZ PHE A 15 -1.772 -16.835 18.653 1.00 0.02 C ATOM 0 H PHE A 15 -1.415 -11.402 18.887 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.645 -11.088 18.970 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.023 -13.320 18.701 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.977 -12.777 17.404 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.752 -13.835 17.045 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.502 -15.311 19.997 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.479 -15.960 17.169 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.230 -17.435 20.121 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.218 -17.760 18.707 1.00 0.02 H new ATOM 242 N GLN A 16 -3.383 -11.478 21.707 1.00 0.02 N ATOM 243 CA GLN A 16 -3.885 -11.482 23.114 1.00 0.02 C ATOM 244 C GLN A 16 -4.428 -10.085 23.429 1.00 0.02 C ATOM 245 O GLN A 16 -4.187 -9.144 22.696 1.00 0.02 O ATOM 246 CB GLN A 16 -2.728 -11.797 24.064 1.00 0.02 C ATOM 247 CG GLN A 16 -2.339 -13.270 23.924 1.00 0.00 C ATOM 248 CD GLN A 16 -1.283 -13.617 24.975 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.184 -13.099 24.943 1.00 0.02 O ATOM 250 NE2 GLN A 16 -1.572 -14.477 25.912 1.00 0.02 N ATOM 0 H GLN A 16 -2.565 -10.890 21.551 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.666 -12.232 23.236 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.873 -11.161 23.836 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.019 -11.583 25.092 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.217 -13.903 24.051 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.950 -13.462 22.924 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.494 -14.912 25.939 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -0.876 -14.715 26.618 1.00 0.02 H new ATOM 259 N GLY A 17 -5.158 -9.926 24.503 1.00 0.03 N ATOM 260 CA GLY A 17 -5.698 -8.574 24.840 1.00 0.03 C ATOM 261 C GLY A 17 -7.055 -8.347 24.166 1.00 0.02 C ATOM 262 O GLY A 17 -7.660 -9.257 23.637 1.00 0.02 O ATOM 0 H GLY A 17 -5.403 -10.669 25.158 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.803 -8.478 25.921 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.994 -7.806 24.519 1.00 0.03 H new ATOM 266 N ARG A 18 -7.524 -7.128 24.173 1.00 0.00 N ATOM 267 CA ARG A 18 -8.830 -6.814 23.524 1.00 0.02 C ATOM 268 C ARG A 18 -8.683 -6.973 22.011 1.00 0.02 C ATOM 269 O ARG A 18 -7.654 -6.662 21.443 1.00 0.02 O ATOM 270 CB ARG A 18 -9.218 -5.367 23.851 1.00 0.79 C ATOM 271 CG ARG A 18 -10.699 -5.144 23.518 1.00 1.49 C ATOM 272 CD ARG A 18 -10.983 -3.644 23.394 1.00 1.42 C ATOM 273 NE ARG A 18 -10.175 -2.902 24.399 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.021 -1.612 24.286 1.00 2.35 C ATOM 275 NH1 ARG A 18 -10.584 -0.971 23.297 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.305 -0.962 25.162 1.00 2.76 N ATOM 0 H ARG A 18 -7.055 -6.331 24.603 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.602 -7.490 23.891 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.037 -5.161 24.906 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.598 -4.676 23.280 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.952 -5.649 22.586 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.326 -5.579 24.297 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -10.740 -3.299 22.389 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -12.044 -3.450 23.550 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.742 -3.402 25.176 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -11.144 -1.479 22.613 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -10.463 0.038 23.209 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.866 -1.463 25.935 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.184 0.047 25.074 1.00 2.76 H new ATOM 290 N ARG A 19 -9.704 -7.477 21.357 1.00 0.02 N ATOM 291 CA ARG A 19 -9.641 -7.691 19.877 1.00 0.02 C ATOM 292 C ARG A 19 -10.753 -6.904 19.185 1.00 0.02 C ATOM 293 O ARG A 19 -11.823 -6.703 19.724 1.00 0.02 O ATOM 294 CB ARG A 19 -9.835 -9.187 19.583 1.00 0.85 C ATOM 295 CG ARG A 19 -9.921 -9.444 18.054 1.00 1.31 C ATOM 296 CD ARG A 19 -11.382 -9.631 17.612 1.00 1.34 C ATOM 297 NE ARG A 19 -12.006 -10.726 18.407 1.00 1.50 N ATOM 298 CZ ARG A 19 -13.303 -10.867 18.418 1.00 1.63 C ATOM 299 NH1 ARG A 19 -14.056 -10.050 17.732 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.848 -11.827 19.115 1.00 1.89 N ATOM 0 H ARG A 19 -10.586 -7.751 21.791 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.674 -7.351 19.505 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.006 -9.755 20.005 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.745 -9.542 20.067 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -9.478 -8.607 17.515 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -9.342 -10.331 17.797 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.937 -8.703 17.753 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.424 -9.870 16.549 1.00 1.34 H new ATOM 0 HE ARG A 19 -11.419 -11.365 18.943 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -13.630 -9.300 17.187 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -15.070 -10.161 17.741 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -13.260 -12.466 19.650 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -14.862 -11.938 19.124 1.00 1.89 H new ATOM 314 N TYR A 20 -10.503 -6.485 17.975 1.00 0.02 N ATOM 315 CA TYR A 20 -11.527 -5.732 17.189 1.00 0.02 C ATOM 316 C TYR A 20 -11.587 -6.338 15.789 1.00 0.02 C ATOM 317 O TYR A 20 -10.580 -6.486 15.129 1.00 0.02 O ATOM 318 CB TYR A 20 -11.136 -4.254 17.102 1.00 0.02 C ATOM 319 CG TYR A 20 -12.077 -3.534 16.157 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.445 -3.465 16.452 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.584 -2.937 14.988 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.317 -2.799 15.580 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.456 -2.272 14.120 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.822 -2.203 14.416 1.00 0.02 C ATOM 325 OH TYR A 20 -14.681 -1.547 13.558 1.00 0.01 O ATOM 0 H TYR A 20 -9.619 -6.634 17.488 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.501 -5.802 17.673 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.178 -3.798 18.091 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.109 -4.159 16.750 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.827 -3.925 17.351 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.530 -2.991 14.758 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.372 -2.746 15.807 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -12.075 -1.811 13.221 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.225 -1.372 12.708 1.00 0.01 H new ATOM 335 N ASP A 21 -12.762 -6.698 15.338 1.00 0.01 N ATOM 336 CA ASP A 21 -12.915 -7.314 13.981 1.00 0.02 C ATOM 337 C ASP A 21 -13.640 -6.333 13.064 1.00 0.00 C ATOM 338 O ASP A 21 -14.601 -5.697 13.451 1.00 0.01 O ATOM 339 CB ASP A 21 -13.741 -8.596 14.111 1.00 0.12 C ATOM 340 CG ASP A 21 -14.936 -8.343 15.029 1.00 0.41 C ATOM 341 OD1 ASP A 21 -15.290 -7.187 15.202 1.00 1.12 O ATOM 342 OD2 ASP A 21 -15.479 -9.306 15.543 1.00 0.56 O ATOM 0 H ASP A 21 -13.633 -6.591 15.857 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.936 -7.546 13.563 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.086 -8.920 13.129 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.124 -9.399 14.513 1.00 0.12 H new ATOM 347 N CYS A 22 -13.162 -6.192 11.853 1.00 0.01 N ATOM 348 CA CYS A 22 -13.786 -5.235 10.886 1.00 0.00 C ATOM 349 C CYS A 22 -14.039 -5.953 9.551 1.00 0.02 C ATOM 350 O CYS A 22 -13.212 -6.704 9.067 1.00 0.01 O ATOM 351 CB CYS A 22 -12.817 -4.044 10.713 1.00 0.00 C ATOM 352 SG CYS A 22 -12.862 -3.400 9.021 1.00 0.02 S ATOM 0 H CYS A 22 -12.358 -6.704 11.489 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.745 -4.869 11.251 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.082 -3.252 11.413 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -11.803 -4.359 10.958 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.803 -2.508 8.921 1.00 0.02 H new ATOM 358 N ASP A 23 -15.193 -5.726 8.962 1.00 0.01 N ATOM 359 CA ASP A 23 -15.544 -6.385 7.660 1.00 0.02 C ATOM 360 C ASP A 23 -15.760 -5.325 6.573 1.00 0.00 C ATOM 361 O ASP A 23 -16.204 -5.625 5.483 1.00 0.02 O ATOM 362 CB ASP A 23 -16.830 -7.193 7.834 1.00 0.16 C ATOM 363 CG ASP A 23 -17.023 -8.115 6.628 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.495 -9.215 6.658 1.00 0.20 O ATOM 365 OD2 ASP A 23 -17.693 -7.704 5.696 1.00 0.17 O ATOM 0 H ASP A 23 -15.913 -5.106 9.332 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.727 -7.042 7.362 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -16.781 -7.781 8.750 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.683 -6.522 7.932 1.00 0.16 H new ATOM 370 N CYS A 24 -15.442 -4.091 6.854 1.00 0.01 N ATOM 371 CA CYS A 24 -15.622 -3.020 5.831 1.00 0.01 C ATOM 372 C CYS A 24 -14.699 -1.856 6.187 1.00 0.01 C ATOM 373 O CYS A 24 -14.062 -1.866 7.215 1.00 0.01 O ATOM 374 CB CYS A 24 -17.076 -2.546 5.832 1.00 0.62 C ATOM 375 SG CYS A 24 -17.571 -2.127 7.522 1.00 1.23 S ATOM 0 H CYS A 24 -15.065 -3.777 7.748 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.378 -3.402 4.840 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.187 -1.677 5.183 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.725 -3.326 5.434 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.806 -1.722 7.525 1.00 1.23 H new ATOM 381 N ASP A 25 -14.598 -0.853 5.361 1.00 0.02 N ATOM 382 CA ASP A 25 -13.689 0.277 5.693 1.00 0.01 C ATOM 383 C ASP A 25 -14.103 0.930 7.015 1.00 0.02 C ATOM 384 O ASP A 25 -15.274 1.094 7.298 1.00 0.00 O ATOM 385 CB ASP A 25 -13.765 1.317 4.568 1.00 0.01 C ATOM 386 CG ASP A 25 -13.033 2.596 4.982 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.174 2.511 5.845 1.00 0.01 O ATOM 388 OD2 ASP A 25 -13.343 3.639 4.429 1.00 0.01 O ATOM 0 H ASP A 25 -15.101 -0.767 4.478 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.671 -0.100 5.795 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -13.321 0.913 3.658 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -14.807 1.543 4.341 1.00 0.01 H new ATOM 393 N CYS A 26 -13.141 1.327 7.812 1.00 0.01 N ATOM 394 CA CYS A 26 -13.446 2.005 9.112 1.00 0.01 C ATOM 395 C CYS A 26 -12.581 3.266 9.211 1.00 0.01 C ATOM 396 O CYS A 26 -11.366 3.202 9.216 1.00 0.01 O ATOM 397 CB CYS A 26 -13.135 1.066 10.280 1.00 0.01 C ATOM 398 SG CYS A 26 -14.052 -0.481 10.073 1.00 0.02 S ATOM 0 H CYS A 26 -12.147 1.209 7.616 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.502 2.270 9.156 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.065 0.864 10.323 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.408 1.539 11.223 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.220 -1.480 10.059 1.00 0.02 H new ATOM 404 N ALA A 27 -13.196 4.420 9.248 1.00 0.01 N ATOM 405 CA ALA A 27 -12.405 5.681 9.299 1.00 0.01 C ATOM 406 C ALA A 27 -11.861 5.928 10.705 1.00 0.01 C ATOM 407 O ALA A 27 -10.856 6.586 10.883 1.00 0.02 O ATOM 408 CB ALA A 27 -13.292 6.855 8.884 1.00 0.24 C ATOM 0 H ALA A 27 -14.209 4.541 9.245 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.563 5.588 8.613 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.714 7.778 8.921 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.656 6.695 7.869 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.139 6.930 9.566 1.00 0.24 H new ATOM 414 N ASP A 28 -12.512 5.407 11.708 1.00 0.01 N ATOM 415 CA ASP A 28 -12.026 5.613 13.102 1.00 0.02 C ATOM 416 C ASP A 28 -12.495 4.441 13.966 1.00 0.01 C ATOM 417 O ASP A 28 -13.629 4.388 14.397 1.00 0.02 O ATOM 418 CB ASP A 28 -12.592 6.921 13.657 1.00 0.67 C ATOM 419 CG ASP A 28 -11.835 7.306 14.929 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.630 7.477 14.849 1.00 0.87 O ATOM 421 OD2 ASP A 28 -12.473 7.422 15.963 1.00 1.14 O ATOM 0 H ASP A 28 -13.360 4.847 11.623 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.937 5.666 13.110 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.502 7.713 12.914 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.654 6.807 13.874 1.00 0.67 H new ATOM 426 N PHE A 29 -11.616 3.508 14.228 1.00 0.02 N ATOM 427 CA PHE A 29 -11.972 2.326 15.074 1.00 0.02 C ATOM 428 C PHE A 29 -11.337 2.475 16.460 1.00 0.00 C ATOM 429 O PHE A 29 -11.324 1.564 17.267 1.00 0.02 O ATOM 430 CB PHE A 29 -11.491 1.039 14.397 1.00 2.87 C ATOM 431 CG PHE A 29 -9.987 0.995 14.378 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.282 1.684 13.385 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.295 0.256 15.344 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.885 1.634 13.359 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.899 0.208 15.319 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.195 0.897 14.326 1.00 6.37 C ATOM 0 H PHE A 29 -10.654 3.514 13.888 1.00 0.02 H new ATOM 0 HA PHE A 29 -13.055 2.274 15.189 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.881 0.171 14.929 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.877 0.988 13.379 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.816 2.254 12.639 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.840 -0.277 16.109 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -7.339 2.164 12.593 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.364 -0.360 16.065 1.00 5.75 H new ATOM 0 HZ PHE A 29 -6.116 0.860 14.306 1.00 6.37 H new ATOM 446 N ARG A 30 -10.784 3.631 16.721 1.00 0.01 N ATOM 447 CA ARG A 30 -10.118 3.886 18.027 1.00 0.00 C ATOM 448 C ARG A 30 -11.098 3.670 19.181 1.00 0.01 C ATOM 449 O ARG A 30 -10.699 3.416 20.300 1.00 0.02 O ATOM 450 CB ARG A 30 -9.612 5.331 18.066 1.00 0.32 C ATOM 451 CG ARG A 30 -8.410 5.492 17.119 1.00 0.86 C ATOM 452 CD ARG A 30 -7.131 4.895 17.737 1.00 1.62 C ATOM 453 NE ARG A 30 -7.036 3.449 17.390 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.904 2.817 17.543 1.00 2.70 C ATOM 455 NH1 ARG A 30 -4.859 3.453 17.998 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.817 1.550 17.241 1.00 3.02 N ATOM 0 H ARG A 30 -10.767 4.419 16.073 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.284 3.192 18.134 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.410 6.013 17.773 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.323 5.597 19.083 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.623 5.000 16.170 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.253 6.549 16.902 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.254 5.426 17.367 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.146 5.019 18.820 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.854 2.954 17.034 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -4.927 4.443 18.234 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -3.974 2.960 18.118 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -6.634 1.053 16.885 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.932 1.057 17.361 1.00 3.02 H new ATOM 470 N SER A 31 -12.376 3.778 18.934 1.00 0.02 N ATOM 471 CA SER A 31 -13.365 3.591 20.033 1.00 0.02 C ATOM 472 C SER A 31 -13.476 2.108 20.389 1.00 0.01 C ATOM 473 O SER A 31 -13.992 1.746 21.427 1.00 0.02 O ATOM 474 CB SER A 31 -14.729 4.104 19.572 1.00 0.37 C ATOM 475 OG SER A 31 -14.566 5.364 18.934 1.00 0.88 O ATOM 0 H SER A 31 -12.777 3.987 18.020 1.00 0.02 H new ATOM 0 HA SER A 31 -13.036 4.146 20.912 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.185 3.392 18.884 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.402 4.199 20.424 1.00 0.37 H new ATOM 0 HG SER A 31 -15.439 5.695 18.636 1.00 0.88 H new ATOM 481 N TYR A 32 -13.010 1.247 19.521 1.00 0.01 N ATOM 482 CA TYR A 32 -13.095 -0.224 19.779 1.00 0.01 C ATOM 483 C TYR A 32 -11.716 -0.755 20.158 1.00 0.02 C ATOM 484 O TYR A 32 -11.589 -1.804 20.760 1.00 0.02 O ATOM 485 CB TYR A 32 -13.566 -0.922 18.503 1.00 0.02 C ATOM 486 CG TYR A 32 -15.031 -0.630 18.278 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.424 0.601 17.741 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.997 -1.592 18.604 1.00 0.01 C ATOM 489 CE1 TYR A 32 -16.781 0.872 17.530 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.353 -1.321 18.392 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.746 -0.088 17.854 1.00 0.02 C ATOM 492 OH TYR A 32 -19.084 0.178 17.643 1.00 0.02 O ATOM 0 H TYR A 32 -12.570 1.502 18.637 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.795 -0.416 20.592 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.981 -0.577 17.650 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.407 -1.997 18.585 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -14.680 1.342 17.489 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.695 -2.542 19.019 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -17.083 1.823 17.117 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.097 -2.062 18.643 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.619 -0.595 17.921 1.00 0.02 H new ATOM 502 N LEU A 33 -10.674 -0.058 19.788 1.00 0.02 N ATOM 503 CA LEU A 33 -9.293 -0.536 20.097 1.00 0.02 C ATOM 504 C LEU A 33 -8.376 0.680 20.310 1.00 0.02 C ATOM 505 O LEU A 33 -8.295 1.566 19.483 1.00 0.02 O ATOM 506 CB LEU A 33 -8.793 -1.331 18.881 1.00 1.66 C ATOM 507 CG LEU A 33 -7.614 -2.252 19.281 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.118 -3.666 19.608 1.00 3.32 C ATOM 509 CD2 LEU A 33 -6.614 -2.339 18.124 1.00 2.80 C ATOM 0 H LEU A 33 -10.720 0.827 19.282 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.290 -1.155 20.994 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.607 -1.930 18.471 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.476 -0.645 18.096 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.133 -1.830 20.164 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -7.274 -4.298 19.887 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -8.825 -3.618 20.437 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -8.613 -4.087 18.733 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -5.785 -2.988 18.408 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.110 -2.748 17.244 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.234 -1.343 17.896 1.00 2.80 H new ATOM 521 N SER A 34 -7.709 0.732 21.438 1.00 0.02 N ATOM 522 CA SER A 34 -6.821 1.898 21.744 1.00 0.02 C ATOM 523 C SER A 34 -5.405 1.695 21.192 1.00 0.00 C ATOM 524 O SER A 34 -4.633 2.628 21.115 1.00 0.01 O ATOM 525 CB SER A 34 -6.743 2.078 23.260 1.00 0.02 C ATOM 526 OG SER A 34 -8.002 2.521 23.745 1.00 0.02 O ATOM 0 H SER A 34 -7.742 0.015 22.162 1.00 0.02 H new ATOM 0 HA SER A 34 -7.246 2.782 21.268 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.468 1.137 23.736 1.00 0.02 H new ATOM 0 HB3 SER A 34 -5.968 2.802 23.513 1.00 0.02 H new ATOM 0 HG SER A 34 -7.956 2.636 24.717 1.00 0.02 H new ATOM 532 N ARG A 35 -5.064 0.500 20.786 1.00 0.02 N ATOM 533 CA ARG A 35 -3.701 0.230 20.225 1.00 0.01 C ATOM 534 C ARG A 35 -3.755 -1.137 19.545 1.00 0.02 C ATOM 535 O ARG A 35 -4.623 -1.936 19.830 1.00 0.02 O ATOM 536 CB ARG A 35 -2.651 0.163 21.349 1.00 0.02 C ATOM 537 CG ARG A 35 -2.341 1.562 21.903 1.00 0.02 C ATOM 538 CD ARG A 35 -0.979 1.551 22.603 1.00 0.02 C ATOM 539 NE ARG A 35 -1.024 0.607 23.755 1.00 0.02 N ATOM 540 CZ ARG A 35 0.085 0.213 24.321 1.00 0.02 C ATOM 541 NH1 ARG A 35 1.233 0.643 23.876 1.00 0.00 N ATOM 542 NH2 ARG A 35 0.045 -0.610 25.332 1.00 0.02 N ATOM 0 H ARG A 35 -5.679 -0.313 20.819 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.425 1.026 19.533 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -3.015 -0.477 22.153 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -1.736 -0.292 20.969 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -2.338 2.292 21.093 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -3.118 1.866 22.604 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.200 1.251 21.902 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.727 2.553 22.949 1.00 0.02 H new ATOM 0 HE ARG A 35 -1.921 0.268 24.102 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.265 1.287 23.086 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.099 0.335 24.318 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.853 -0.946 25.681 1.00 0.02 H new ATOM 0 HH22 ARG A 35 0.911 -0.918 25.774 1.00 0.02 H new ATOM 556 N CYS A 36 -2.834 -1.432 18.659 1.00 0.02 N ATOM 557 CA CYS A 36 -2.836 -2.762 17.976 1.00 0.02 C ATOM 558 C CYS A 36 -1.393 -3.251 17.836 1.00 0.02 C ATOM 559 O CYS A 36 -0.617 -2.650 17.121 1.00 0.02 O ATOM 560 CB CYS A 36 -3.433 -2.606 16.579 1.00 0.02 C ATOM 561 SG CYS A 36 -2.535 -1.299 15.711 1.00 0.02 S ATOM 0 H CYS A 36 -2.079 -0.806 18.379 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.422 -3.474 18.558 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -3.360 -3.544 16.029 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -4.492 -2.357 16.646 1.00 0.02 H new ATOM 0 HG CYS A 36 -1.267 -1.388 15.985 1.00 0.02 H new ATOM 567 N ASN A 37 -1.006 -4.314 18.507 1.00 0.02 N ATOM 568 CA ASN A 37 0.415 -4.792 18.395 1.00 0.01 C ATOM 569 C ASN A 37 0.483 -6.067 17.555 1.00 0.02 C ATOM 570 O ASN A 37 1.540 -6.608 17.302 1.00 0.02 O ATOM 571 CB ASN A 37 0.981 -5.078 19.787 1.00 0.02 C ATOM 572 CG ASN A 37 0.674 -3.903 20.715 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.358 -3.274 20.596 1.00 0.03 O ATOM 574 ND2 ASN A 37 1.534 -3.577 21.640 1.00 0.02 N ATOM 0 H ASN A 37 -1.604 -4.866 19.121 1.00 0.02 H new ATOM 0 HA ASN A 37 1.004 -4.012 17.913 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.546 -5.994 20.187 1.00 0.02 H new ATOM 0 HB3 ASN A 37 2.058 -5.236 19.728 1.00 0.02 H new ATOM 0 HD21 ASN A 37 1.340 -2.794 22.264 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.401 -4.106 21.740 1.00 0.02 H new ATOM 581 N SER A 38 -0.650 -6.528 17.095 1.00 0.02 N ATOM 582 CA SER A 38 -0.695 -7.746 16.239 1.00 0.02 C ATOM 583 C SER A 38 -1.978 -7.688 15.409 1.00 0.01 C ATOM 584 O SER A 38 -2.942 -7.050 15.788 1.00 0.02 O ATOM 585 CB SER A 38 -0.677 -9.011 17.100 1.00 0.01 C ATOM 586 OG SER A 38 -1.226 -10.091 16.357 1.00 0.02 O ATOM 0 H SER A 38 -1.559 -6.104 17.280 1.00 0.02 H new ATOM 0 HA SER A 38 0.178 -7.778 15.588 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.344 -9.244 17.403 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.252 -8.852 18.012 1.00 0.01 H new ATOM 0 HG SER A 38 -0.690 -10.239 15.550 1.00 0.02 H new ATOM 592 N ILE A 39 -1.998 -8.326 14.268 1.00 0.02 N ATOM 593 CA ILE A 39 -3.220 -8.278 13.405 1.00 0.02 C ATOM 594 C ILE A 39 -3.398 -9.602 12.655 1.00 0.02 C ATOM 595 O ILE A 39 -2.451 -10.252 12.259 1.00 0.02 O ATOM 596 CB ILE A 39 -3.053 -7.154 12.374 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.485 -5.910 13.063 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.413 -6.820 11.755 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.443 -4.747 12.071 1.00 0.00 C ATOM 0 H ILE A 39 -1.225 -8.877 13.896 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.092 -8.102 14.035 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.369 -7.479 11.590 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.100 -5.645 13.923 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.483 -6.116 13.439 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.293 -6.021 11.023 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.816 -7.705 11.264 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.099 -6.495 12.537 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.038 -3.863 12.564 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.809 -5.013 11.225 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.452 -4.535 11.716 1.00 0.00 H new ATOM 611 N ARG A 40 -4.632 -9.976 12.414 1.00 0.02 N ATOM 612 CA ARG A 40 -4.923 -11.224 11.641 1.00 0.02 C ATOM 613 C ARG A 40 -5.800 -10.857 10.444 1.00 0.01 C ATOM 614 O ARG A 40 -6.867 -10.299 10.603 1.00 0.02 O ATOM 615 CB ARG A 40 -5.660 -12.256 12.501 1.00 0.01 C ATOM 616 CG ARG A 40 -5.687 -13.603 11.772 1.00 0.02 C ATOM 617 CD ARG A 40 -6.196 -14.688 12.719 1.00 0.02 C ATOM 618 NE ARG A 40 -6.449 -15.939 11.951 1.00 0.02 N ATOM 619 CZ ARG A 40 -6.586 -17.073 12.580 1.00 0.02 C ATOM 620 NH1 ARG A 40 -6.494 -17.110 13.882 1.00 0.02 N ATOM 621 NH2 ARG A 40 -6.809 -18.169 11.909 1.00 0.02 N ATOM 0 H ARG A 40 -5.458 -9.464 12.723 1.00 0.02 H new ATOM 0 HA ARG A 40 -3.979 -11.663 11.318 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.164 -12.362 13.466 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.677 -11.918 12.701 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.331 -13.540 10.895 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.688 -13.856 11.417 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -5.463 -14.873 13.505 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -7.112 -14.358 13.209 1.00 0.02 H new ATOM 0 HE ARG A 40 -6.515 -15.909 10.934 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -6.315 -16.253 14.405 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -6.601 -17.996 14.376 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -6.876 -18.139 10.892 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -6.916 -19.056 12.402 1.00 0.02 H new ATOM 635 N VAL A 41 -5.388 -11.207 9.253 1.00 0.02 N ATOM 636 CA VAL A 41 -6.232 -10.934 8.051 1.00 0.01 C ATOM 637 C VAL A 41 -6.817 -12.274 7.611 1.00 0.02 C ATOM 638 O VAL A 41 -6.099 -13.170 7.216 1.00 0.02 O ATOM 639 CB VAL A 41 -5.384 -10.315 6.942 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.292 -9.921 5.776 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.693 -9.060 7.482 1.00 0.00 C ATOM 0 H VAL A 41 -4.501 -11.672 9.060 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.029 -10.226 8.278 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.638 -11.034 6.603 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.692 -9.478 4.981 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.801 -10.807 5.396 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.031 -9.197 6.119 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.085 -8.612 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.446 -8.344 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.055 -9.329 8.324 1.00 0.00 H new ATOM 651 N GLU A 42 -8.112 -12.429 7.714 1.00 0.01 N ATOM 652 CA GLU A 42 -8.744 -13.732 7.344 1.00 0.01 C ATOM 653 C GLU A 42 -8.968 -13.804 5.840 1.00 0.02 C ATOM 654 O GLU A 42 -8.880 -14.861 5.246 1.00 0.01 O ATOM 655 CB GLU A 42 -10.088 -13.881 8.066 1.00 0.99 C ATOM 656 CG GLU A 42 -9.921 -13.559 9.554 1.00 1.86 C ATOM 657 CD GLU A 42 -9.009 -14.598 10.205 1.00 3.10 C ATOM 658 OE1 GLU A 42 -8.809 -15.641 9.605 1.00 3.81 O ATOM 659 OE2 GLU A 42 -8.526 -14.336 11.293 1.00 3.67 O ATOM 0 H GLU A 42 -8.759 -11.710 8.038 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.076 -14.540 7.643 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.825 -13.213 7.621 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.465 -14.897 7.945 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.498 -12.562 9.675 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.893 -13.554 10.047 1.00 1.86 H new ATOM 666 N GLY A 43 -9.266 -12.708 5.209 1.00 0.01 N ATOM 667 CA GLY A 43 -9.504 -12.759 3.744 1.00 0.02 C ATOM 668 C GLY A 43 -9.437 -11.359 3.146 1.00 0.02 C ATOM 669 O GLY A 43 -9.745 -10.382 3.803 1.00 0.02 O ATOM 0 H GLY A 43 -9.355 -11.787 5.638 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.760 -13.400 3.270 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.480 -13.201 3.543 1.00 0.02 H new ATOM 673 N GLY A 44 -9.065 -11.251 1.902 1.00 0.00 N ATOM 674 CA GLY A 44 -9.008 -9.909 1.264 1.00 0.01 C ATOM 675 C GLY A 44 -7.682 -9.223 1.596 1.00 0.01 C ATOM 676 O GLY A 44 -6.900 -9.699 2.394 1.00 0.01 O ATOM 0 H GLY A 44 -8.799 -12.032 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.115 -10.007 0.184 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.840 -9.297 1.612 1.00 0.01 H new ATOM 680 N THR A 45 -7.455 -8.082 1.005 1.00 0.01 N ATOM 681 CA THR A 45 -6.212 -7.293 1.277 1.00 0.00 C ATOM 682 C THR A 45 -6.637 -6.052 2.073 1.00 0.01 C ATOM 683 O THR A 45 -7.797 -5.689 2.067 1.00 0.01 O ATOM 684 CB THR A 45 -5.536 -6.911 -0.046 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.193 -8.095 -0.754 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.265 -6.104 0.238 1.00 1.48 C ATOM 0 H THR A 45 -8.089 -7.652 0.331 1.00 0.01 H new ATOM 0 HA THR A 45 -5.486 -7.871 1.849 1.00 0.00 H new ATOM 0 HB THR A 45 -6.220 -6.308 -0.643 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.762 -7.856 -1.601 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.787 -5.834 -0.704 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.524 -5.198 0.786 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.578 -6.705 0.834 1.00 1.48 H new ATOM 694 N TRP A 46 -5.744 -5.393 2.768 1.00 0.02 N ATOM 695 CA TRP A 46 -6.174 -4.190 3.554 1.00 0.01 C ATOM 696 C TRP A 46 -5.057 -3.141 3.633 1.00 0.01 C ATOM 697 O TRP A 46 -3.888 -3.456 3.735 1.00 0.01 O ATOM 698 CB TRP A 46 -6.538 -4.635 4.980 1.00 0.00 C ATOM 699 CG TRP A 46 -7.885 -5.288 4.991 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.140 -6.560 4.606 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.161 -4.724 5.413 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.493 -6.810 4.760 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.164 -5.709 5.254 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.539 -3.465 5.909 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.498 -5.453 5.579 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -10.880 -3.204 6.237 1.00 0.02 C ATOM 707 CH2 TRP A 46 -11.856 -4.196 6.071 1.00 0.01 C ATOM 0 H TRP A 46 -4.753 -5.628 2.827 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.031 -3.741 3.053 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -5.786 -5.330 5.355 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.538 -3.774 5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.408 -7.264 4.239 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.940 -7.699 4.536 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.795 -2.693 6.039 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.247 -6.221 5.451 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.160 -2.234 6.619 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -12.885 -3.988 6.324 1.00 0.01 H new ATOM 718 N ALA A 47 -5.438 -1.887 3.661 1.00 0.01 N ATOM 719 CA ALA A 47 -4.452 -0.772 3.819 1.00 0.01 C ATOM 720 C ALA A 47 -4.690 -0.212 5.217 1.00 0.01 C ATOM 721 O ALA A 47 -5.812 0.055 5.602 1.00 0.01 O ATOM 722 CB ALA A 47 -4.696 0.307 2.761 1.00 0.24 C ATOM 0 H ALA A 47 -6.409 -1.584 3.580 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.426 -1.117 3.692 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.972 1.112 2.888 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.586 -0.127 1.767 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.704 0.705 2.874 1.00 0.24 H new ATOM 728 N VAL A 48 -3.639 -0.017 5.978 1.00 0.01 N ATOM 729 CA VAL A 48 -3.790 0.547 7.356 1.00 0.02 C ATOM 730 C VAL A 48 -3.043 1.877 7.451 1.00 0.01 C ATOM 731 O VAL A 48 -1.989 2.052 6.861 1.00 0.01 O ATOM 732 CB VAL A 48 -3.231 -0.430 8.389 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.079 -1.703 8.403 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.788 -0.781 8.027 1.00 0.65 C ATOM 0 H VAL A 48 -2.679 -0.225 5.702 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.849 0.709 7.558 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.257 0.031 9.376 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.679 -2.399 9.140 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.108 -1.452 8.662 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.056 -2.167 7.417 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.387 -1.478 8.763 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.762 -1.242 7.039 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.184 0.126 8.020 1.00 0.65 H new ATOM 744 N TYR A 49 -3.591 2.820 8.177 1.00 0.01 N ATOM 745 CA TYR A 49 -2.941 4.162 8.311 1.00 0.01 C ATOM 746 C TYR A 49 -2.605 4.430 9.776 1.00 0.01 C ATOM 747 O TYR A 49 -3.319 4.047 10.687 1.00 0.02 O ATOM 748 CB TYR A 49 -3.913 5.233 7.810 1.00 0.01 C ATOM 749 CG TYR A 49 -4.367 4.893 6.408 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.243 3.819 6.187 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.913 5.655 5.325 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.659 3.512 4.887 1.00 0.01 C ATOM 753 CE2 TYR A 49 -4.328 5.344 4.025 1.00 0.01 C ATOM 754 CZ TYR A 49 -5.200 4.272 3.806 1.00 0.02 C ATOM 755 OH TYR A 49 -5.610 3.966 2.524 1.00 0.01 O ATOM 0 H TYR A 49 -4.468 2.717 8.687 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.023 4.185 7.724 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.774 5.297 8.476 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.429 6.210 7.819 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.596 3.230 7.020 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.242 6.484 5.493 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.335 2.687 4.718 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.975 5.932 3.191 1.00 0.01 H new ATOM 0 HH TYR A 49 -5.200 4.592 1.891 1.00 0.01 H new ATOM 765 N GLU A 50 -1.485 5.064 9.997 1.00 0.01 N ATOM 766 CA GLU A 50 -1.026 5.347 11.386 1.00 0.01 C ATOM 767 C GLU A 50 -1.952 6.350 12.078 1.00 0.01 C ATOM 768 O GLU A 50 -2.149 6.279 13.275 1.00 0.02 O ATOM 769 CB GLU A 50 0.386 5.927 11.328 1.00 0.02 C ATOM 770 CG GLU A 50 0.974 5.983 12.739 1.00 0.01 C ATOM 771 CD GLU A 50 2.456 6.352 12.660 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.889 6.764 11.596 1.00 0.02 O ATOM 773 OE2 GLU A 50 3.134 6.215 13.665 1.00 0.01 O ATOM 0 H GLU A 50 -0.861 5.402 9.264 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.038 4.418 11.956 1.00 0.01 H new ATOM 0 HB2 GLU A 50 1.016 5.313 10.684 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.362 6.926 10.893 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.437 6.717 13.339 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.854 5.019 13.233 1.00 0.01 H new ATOM 780 N ARG A 51 -2.499 7.306 11.355 1.00 0.02 N ATOM 781 CA ARG A 51 -3.383 8.336 12.001 1.00 0.02 C ATOM 782 C ARG A 51 -4.756 8.351 11.295 1.00 0.01 C ATOM 783 O ARG A 51 -4.851 7.987 10.134 1.00 0.02 O ATOM 784 CB ARG A 51 -2.698 9.704 11.824 1.00 0.02 C ATOM 785 CG ARG A 51 -1.460 9.799 12.737 1.00 0.01 C ATOM 786 CD ARG A 51 -1.860 10.292 14.133 1.00 0.02 C ATOM 787 NE ARG A 51 -0.795 9.920 15.107 1.00 0.02 N ATOM 788 CZ ARG A 51 -0.763 10.476 16.288 1.00 0.02 C ATOM 789 NH1 ARG A 51 -1.660 11.364 16.620 1.00 0.02 N ATOM 790 NH2 ARG A 51 0.167 10.142 17.139 1.00 0.01 N ATOM 0 H ARG A 51 -2.372 7.417 10.349 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.534 8.112 13.057 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.403 9.840 10.783 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.399 10.504 12.064 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -0.981 8.823 12.813 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -0.729 10.480 12.300 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -2.000 11.373 14.124 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -2.811 9.850 14.429 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.089 9.229 14.850 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -2.389 11.626 15.956 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -1.632 11.796 17.543 1.00 0.02 H new ATOM 0 HH21 ARG A 51 0.868 9.447 16.882 1.00 0.01 H new ATOM 0 HH22 ARG A 51 0.193 10.575 18.062 1.00 0.01 H new ATOM 804 N PRO A 52 -5.815 8.768 11.984 1.00 0.02 N ATOM 805 CA PRO A 52 -7.182 8.805 11.375 1.00 0.02 C ATOM 806 C PRO A 52 -7.234 9.567 10.045 1.00 0.01 C ATOM 807 O PRO A 52 -6.329 10.288 9.672 1.00 0.02 O ATOM 808 CB PRO A 52 -8.028 9.510 12.460 1.00 0.02 C ATOM 809 CG PRO A 52 -7.112 9.860 13.649 1.00 0.01 C ATOM 810 CD PRO A 52 -5.733 9.222 13.409 1.00 0.01 C ATOM 0 HA PRO A 52 -7.539 7.808 11.116 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.485 10.413 12.056 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.841 8.861 12.787 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.017 10.941 13.748 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.543 9.491 14.580 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.925 9.939 13.558 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.550 8.389 14.088 1.00 0.01 H new ATOM 818 N ASN A 53 -8.339 9.418 9.362 1.00 0.02 N ATOM 819 CA ASN A 53 -8.557 10.131 8.075 1.00 0.02 C ATOM 820 C ASN A 53 -7.568 9.658 7.012 1.00 0.01 C ATOM 821 O ASN A 53 -7.114 10.417 6.179 1.00 0.01 O ATOM 822 CB ASN A 53 -8.404 11.638 8.308 1.00 0.01 C ATOM 823 CG ASN A 53 -9.014 12.008 9.661 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.526 12.889 10.340 1.00 0.02 O ATOM 825 ND2 ASN A 53 -10.068 11.366 10.085 1.00 0.01 N ATOM 0 H ASN A 53 -9.113 8.819 9.651 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.562 9.913 7.714 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.350 11.916 8.284 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -8.898 12.192 7.510 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.482 11.604 10.986 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -10.478 10.626 9.515 1.00 0.01 H new ATOM 832 N PHE A 54 -7.258 8.393 7.030 1.00 0.02 N ATOM 833 CA PHE A 54 -6.326 7.825 6.021 1.00 0.01 C ATOM 834 C PHE A 54 -5.105 8.726 5.853 1.00 0.01 C ATOM 835 O PHE A 54 -4.728 9.096 4.758 1.00 0.02 O ATOM 836 CB PHE A 54 -7.068 7.677 4.688 1.00 1.78 C ATOM 837 CG PHE A 54 -8.497 7.253 4.952 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.754 6.080 5.672 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.564 8.030 4.477 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.075 5.685 5.919 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.884 7.634 4.724 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.140 6.461 5.445 1.00 3.39 C ATOM 0 H PHE A 54 -7.615 7.721 7.709 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.979 6.848 6.357 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.052 8.621 4.144 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.568 6.939 4.061 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.934 5.480 6.037 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.367 8.934 3.920 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.272 4.781 6.476 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.705 8.233 4.358 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.158 6.155 5.635 1.00 3.39 H new ATOM 852 N SER A 55 -4.487 9.080 6.955 1.00 0.02 N ATOM 853 CA SER A 55 -3.279 9.964 6.916 1.00 0.02 C ATOM 854 C SER A 55 -2.128 9.312 7.690 1.00 0.01 C ATOM 855 O SER A 55 -2.324 8.379 8.444 1.00 0.01 O ATOM 856 CB SER A 55 -3.628 11.306 7.560 1.00 1.90 C ATOM 857 OG SER A 55 -4.828 11.804 6.983 1.00 2.33 O ATOM 0 H SER A 55 -4.772 8.790 7.891 1.00 0.02 H new ATOM 0 HA SER A 55 -2.970 10.114 5.881 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.751 11.185 8.636 1.00 1.90 H new ATOM 0 HB3 SER A 55 -2.816 12.017 7.410 1.00 1.90 H new ATOM 0 HG SER A 55 -5.478 11.075 6.900 1.00 2.33 H new ATOM 863 N GLY A 56 -0.923 9.790 7.498 1.00 0.02 N ATOM 864 CA GLY A 56 0.250 9.196 8.208 1.00 0.02 C ATOM 865 C GLY A 56 0.836 8.041 7.386 1.00 0.02 C ATOM 866 O GLY A 56 0.596 7.929 6.200 1.00 0.00 O ATOM 0 H GLY A 56 -0.702 10.569 6.878 1.00 0.02 H new ATOM 0 HA2 GLY A 56 1.011 9.959 8.371 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.055 8.835 9.190 1.00 0.02 H new ATOM 870 N HIS A 57 1.623 7.196 7.998 1.00 0.02 N ATOM 871 CA HIS A 57 2.247 6.069 7.240 1.00 0.02 C ATOM 872 C HIS A 57 1.172 5.137 6.682 1.00 0.01 C ATOM 873 O HIS A 57 0.181 4.861 7.332 1.00 0.01 O ATOM 874 CB HIS A 57 3.170 5.278 8.166 1.00 0.00 C ATOM 875 CG HIS A 57 4.319 6.148 8.589 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.184 7.515 8.767 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.632 5.861 8.865 1.00 0.01 C ATOM 878 CE1 HIS A 57 5.387 7.996 9.132 1.00 0.02 C ATOM 879 NE2 HIS A 57 6.305 7.030 9.208 1.00 0.01 N ATOM 0 H HIS A 57 1.861 7.236 8.989 1.00 0.02 H new ATOM 0 HA HIS A 57 2.820 6.483 6.411 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.618 4.935 9.041 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.541 4.390 7.655 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.076 4.877 8.823 1.00 0.01 H new ATOM 0 HE1 HIS A 57 5.585 9.037 9.338 1.00 0.02 H new ATOM 0 HE2 HIS A 57 7.288 7.128 9.463 1.00 0.01 H new ATOM 887 N MET A 58 1.377 4.646 5.477 1.00 0.02 N ATOM 888 CA MET A 58 0.389 3.717 4.842 1.00 0.02 C ATOM 889 C MET A 58 1.054 2.359 4.585 1.00 0.01 C ATOM 890 O MET A 58 2.154 2.282 4.060 1.00 0.01 O ATOM 891 CB MET A 58 -0.055 4.299 3.498 1.00 2.61 C ATOM 892 CG MET A 58 -0.651 5.693 3.697 1.00 3.46 C ATOM 893 SD MET A 58 -0.640 6.582 2.121 1.00 4.50 S ATOM 894 CE MET A 58 -1.564 5.355 1.162 1.00 5.01 C ATOM 0 H MET A 58 2.195 4.853 4.904 1.00 0.02 H new ATOM 0 HA MET A 58 -0.467 3.594 5.505 1.00 0.02 H new ATOM 0 HB2 MET A 58 0.795 4.353 2.818 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.792 3.643 3.035 1.00 2.61 H new ATOM 0 HG2 MET A 58 -1.670 5.614 4.076 1.00 3.46 H new ATOM 0 HG3 MET A 58 -0.076 6.243 4.442 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.983 5.828 0.274 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.895 4.548 0.863 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.371 4.949 1.772 1.00 5.01 H new ATOM 904 N TYR A 59 0.390 1.287 4.943 1.00 0.02 N ATOM 905 CA TYR A 59 0.962 -0.083 4.721 1.00 0.01 C ATOM 906 C TYR A 59 -0.124 -1.013 4.164 1.00 0.01 C ATOM 907 O TYR A 59 -1.248 -1.031 4.624 1.00 0.02 O ATOM 908 CB TYR A 59 1.468 -0.653 6.047 1.00 0.01 C ATOM 909 CG TYR A 59 2.765 0.022 6.429 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.947 -0.310 5.756 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.789 0.976 7.455 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.152 0.310 6.109 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.993 1.596 7.806 1.00 0.01 C ATOM 914 CZ TYR A 59 5.174 1.263 7.134 1.00 0.01 C ATOM 915 OH TYR A 59 6.360 1.876 7.481 1.00 0.01 O ATOM 0 H TYR A 59 -0.530 1.300 5.383 1.00 0.02 H new ATOM 0 HA TYR A 59 1.787 -0.011 4.012 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.723 -0.500 6.828 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.619 -1.729 5.958 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.929 -1.044 4.964 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.878 1.233 7.975 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.064 0.053 5.591 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.011 2.332 8.596 1.00 0.01 H new ATOM 0 HH TYR A 59 6.199 2.511 8.209 1.00 0.01 H new ATOM 925 N ILE A 60 0.232 -1.809 3.183 1.00 0.02 N ATOM 926 CA ILE A 60 -0.743 -2.778 2.588 1.00 0.01 C ATOM 927 C ILE A 60 -0.520 -4.148 3.240 1.00 0.01 C ATOM 928 O ILE A 60 0.598 -4.600 3.378 1.00 0.01 O ATOM 929 CB ILE A 60 -0.532 -2.875 1.067 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.158 -1.652 0.384 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.210 -4.147 0.526 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.434 -0.381 0.826 1.00 1.72 C ATOM 0 H ILE A 60 1.163 -1.829 2.766 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.763 -2.440 2.770 1.00 0.01 H new ATOM 0 HB ILE A 60 0.537 -2.912 0.859 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.096 -1.758 -0.699 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.216 -1.585 0.638 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.057 -4.210 -0.551 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.775 -5.023 1.006 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.278 -4.109 0.739 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -0.884 0.483 0.337 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.519 -0.271 1.907 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.618 -0.447 0.550 1.00 1.72 H new ATOM 944 N LEU A 61 -1.579 -4.797 3.652 1.00 0.01 N ATOM 945 CA LEU A 61 -1.447 -6.137 4.319 1.00 0.01 C ATOM 946 C LEU A 61 -2.216 -7.219 3.516 1.00 0.01 C ATOM 947 O LEU A 61 -3.429 -7.183 3.467 1.00 0.00 O ATOM 948 CB LEU A 61 -2.059 -6.040 5.735 1.00 0.01 C ATOM 949 CG LEU A 61 -0.987 -5.641 6.768 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.667 -5.406 8.120 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.075 -6.759 6.905 1.00 0.01 C ATOM 0 H LEU A 61 -2.536 -4.458 3.557 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.394 -6.413 4.368 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.865 -5.306 5.738 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.499 -6.998 6.012 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.488 -4.730 6.437 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.918 -5.123 8.860 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.402 -4.607 8.024 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.166 -6.321 8.440 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.824 -6.461 7.638 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.407 -7.680 7.232 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.556 -6.924 5.941 1.00 0.01 H new ATOM 963 N PRO A 62 -1.550 -8.196 2.913 1.00 0.02 N ATOM 964 CA PRO A 62 -2.285 -9.269 2.186 1.00 0.01 C ATOM 965 C PRO A 62 -2.862 -10.282 3.189 1.00 0.00 C ATOM 966 O PRO A 62 -2.543 -10.249 4.361 1.00 0.02 O ATOM 967 CB PRO A 62 -1.180 -9.893 1.321 1.00 1.47 C ATOM 968 CG PRO A 62 0.176 -9.498 1.933 1.00 1.29 C ATOM 969 CD PRO A 62 -0.057 -8.308 2.886 1.00 0.82 C ATOM 0 HA PRO A 62 -3.135 -8.919 1.600 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.284 -10.978 1.292 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.253 -9.538 0.293 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.609 -10.339 2.474 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.882 -9.225 1.149 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.353 -8.497 3.878 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.411 -7.396 2.517 1.00 0.82 H new ATOM 977 N GLN A 63 -3.709 -11.174 2.753 1.00 0.02 N ATOM 978 CA GLN A 63 -4.294 -12.167 3.702 1.00 0.00 C ATOM 979 C GLN A 63 -3.178 -12.879 4.476 1.00 0.00 C ATOM 980 O GLN A 63 -2.146 -13.202 3.925 1.00 0.02 O ATOM 981 CB GLN A 63 -5.098 -13.204 2.914 1.00 1.27 C ATOM 982 CG GLN A 63 -5.900 -14.072 3.885 1.00 1.67 C ATOM 983 CD GLN A 63 -6.633 -15.166 3.108 1.00 2.43 C ATOM 984 OE1 GLN A 63 -6.705 -16.295 3.549 1.00 4.25 O ATOM 985 NE2 GLN A 63 -7.182 -14.878 1.959 1.00 3.04 N ATOM 0 H GLN A 63 -4.021 -11.259 1.786 1.00 0.02 H new ATOM 0 HA GLN A 63 -4.943 -11.647 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.770 -12.705 2.216 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.427 -13.827 2.322 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -5.235 -14.520 4.623 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -6.616 -13.458 4.432 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -7.122 -13.930 1.588 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -7.671 -15.601 1.432 1.00 3.04 H new ATOM 994 N GLY A 64 -3.371 -13.138 5.748 1.00 0.02 N ATOM 995 CA GLY A 64 -2.302 -13.839 6.523 1.00 0.01 C ATOM 996 C GLY A 64 -2.415 -13.517 8.018 1.00 0.02 C ATOM 997 O GLY A 64 -3.310 -12.820 8.455 1.00 0.02 O ATOM 0 H GLY A 64 -4.210 -12.898 6.275 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.382 -14.915 6.371 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.322 -13.537 6.154 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.500 -14.030 8.803 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.516 -13.778 10.280 1.00 0.02 C ATOM 1003 C GLU A 65 -0.221 -13.074 10.688 1.00 0.02 C ATOM 1004 O GLU A 65 0.865 -13.493 10.339 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.608 -15.119 11.010 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.650 -14.876 12.520 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.068 -16.163 13.234 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -3.170 -16.623 12.985 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -1.280 -16.666 14.017 1.00 0.71 O ATOM 0 H GLU A 65 -0.733 -14.620 8.480 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.370 -13.152 10.539 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.501 -15.657 10.693 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.752 -15.743 10.755 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.671 -14.553 12.874 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.353 -14.075 12.751 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.337 -12.007 11.441 1.00 0.02 N ATOM 1017 CA TYR A 66 0.861 -11.250 11.908 1.00 0.02 C ATOM 1018 C TYR A 66 0.848 -11.251 13.449 1.00 0.02 C ATOM 1019 O TYR A 66 0.152 -10.454 14.050 1.00 0.02 O ATOM 1020 CB TYR A 66 0.748 -9.817 11.389 1.00 0.01 C ATOM 1021 CG TYR A 66 0.803 -9.844 9.878 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.355 -10.118 9.141 1.00 0.02 C ATOM 1023 CD2 TYR A 66 2.014 -9.610 9.218 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.300 -10.157 7.741 1.00 0.02 C ATOM 1025 CE2 TYR A 66 2.069 -9.649 7.820 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.913 -9.923 7.082 1.00 0.02 C ATOM 1027 OH TYR A 66 0.968 -9.961 5.703 1.00 0.01 O ATOM 0 H TYR A 66 -1.229 -11.624 11.756 1.00 0.02 H new ATOM 0 HA TYR A 66 1.786 -11.699 11.545 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.185 -9.366 11.725 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.559 -9.206 11.786 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.290 -10.299 9.651 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.907 -9.399 9.788 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.193 -10.367 7.171 1.00 0.02 H new ATOM 0 HE2 TYR A 66 3.004 -9.468 7.311 1.00 0.02 H new ATOM 0 HH TYR A 66 1.884 -9.776 5.407 1.00 0.01 H new ATOM 1037 N PRO A 67 1.575 -12.145 14.099 1.00 0.01 N ATOM 1038 CA PRO A 67 1.562 -12.200 15.588 1.00 0.02 C ATOM 1039 C PRO A 67 2.214 -10.982 16.260 1.00 0.02 C ATOM 1040 O PRO A 67 2.186 -10.860 17.468 1.00 0.02 O ATOM 1041 CB PRO A 67 2.342 -13.498 15.896 1.00 0.02 C ATOM 1042 CG PRO A 67 2.883 -14.072 14.569 1.00 0.02 C ATOM 1043 CD PRO A 67 2.440 -13.152 13.416 1.00 0.01 C ATOM 0 HA PRO A 67 0.545 -12.189 15.981 1.00 0.02 H new ATOM 0 HB2 PRO A 67 3.163 -13.292 16.582 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.692 -14.223 16.385 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.970 -14.140 14.602 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.505 -15.082 14.413 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.292 -12.684 12.924 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.892 -13.701 12.650 1.00 0.01 H new ATOM 1051 N GLU A 68 2.787 -10.071 15.515 1.00 0.01 N ATOM 1052 CA GLU A 68 3.409 -8.880 16.162 1.00 0.01 C ATOM 1053 C GLU A 68 3.482 -7.757 15.128 1.00 0.03 C ATOM 1054 O GLU A 68 3.473 -7.984 13.936 1.00 0.02 O ATOM 1055 CB GLU A 68 4.831 -9.218 16.624 1.00 0.69 C ATOM 1056 CG GLU A 68 4.782 -10.196 17.798 1.00 1.09 C ATOM 1057 CD GLU A 68 6.150 -10.246 18.479 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.380 -9.434 19.361 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.945 -11.094 18.108 1.00 1.55 O ATOM 0 H GLU A 68 2.850 -10.100 14.497 1.00 0.01 H new ATOM 0 HA GLU A 68 2.814 -8.577 17.024 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.396 -9.654 15.800 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.352 -8.307 16.920 1.00 0.69 H new ATOM 0 HG2 GLU A 68 4.020 -9.885 18.512 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.503 -11.189 17.446 1.00 1.09 H new ATOM 1066 N TYR A 69 3.505 -6.540 15.589 1.00 0.02 N ATOM 1067 CA TYR A 69 3.514 -5.387 14.649 1.00 0.02 C ATOM 1068 C TYR A 69 4.747 -5.409 13.741 1.00 0.01 C ATOM 1069 O TYR A 69 4.673 -5.077 12.575 1.00 0.01 O ATOM 1070 CB TYR A 69 3.423 -4.074 15.434 1.00 0.02 C ATOM 1071 CG TYR A 69 4.733 -3.783 16.124 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.975 -4.291 17.405 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.699 -2.994 15.489 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.184 -4.013 18.052 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.910 -2.716 16.135 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.152 -3.226 17.417 1.00 0.02 C ATOM 1077 OH TYR A 69 8.345 -2.951 18.055 1.00 0.01 O ATOM 0 H TYR A 69 3.518 -6.293 16.579 1.00 0.02 H new ATOM 0 HA TYR A 69 2.642 -5.466 13.999 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.170 -3.256 14.759 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.623 -4.138 16.171 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.228 -4.898 17.895 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.511 -2.600 14.501 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.370 -4.405 19.041 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.657 -2.109 15.645 1.00 0.02 H new ATOM 0 HH TYR A 69 8.905 -2.393 17.475 1.00 0.01 H new ATOM 1087 N GLN A 70 5.881 -5.796 14.260 1.00 0.01 N ATOM 1088 CA GLN A 70 7.114 -5.843 13.422 1.00 0.02 C ATOM 1089 C GLN A 70 6.919 -6.808 12.246 1.00 0.01 C ATOM 1090 O GLN A 70 7.563 -6.699 11.221 1.00 0.02 O ATOM 1091 CB GLN A 70 8.286 -6.332 14.276 1.00 0.01 C ATOM 1092 CG GLN A 70 8.483 -5.387 15.459 1.00 0.01 C ATOM 1093 CD GLN A 70 9.708 -5.821 16.263 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.329 -6.821 15.957 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.086 -5.107 17.287 1.00 0.02 N ATOM 0 H GLN A 70 6.007 -6.082 15.231 1.00 0.01 H new ATOM 0 HA GLN A 70 7.319 -4.844 13.037 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.092 -7.343 14.633 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.195 -6.374 13.675 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.612 -4.365 15.103 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.597 -5.394 16.094 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.565 -4.268 17.544 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.902 -5.387 17.831 1.00 0.02 H new ATOM 1104 N ARG A 71 6.020 -7.747 12.391 1.00 0.01 N ATOM 1105 CA ARG A 71 5.766 -8.717 11.288 1.00 0.02 C ATOM 1106 C ARG A 71 5.062 -7.984 10.144 1.00 0.01 C ATOM 1107 O ARG A 71 5.030 -8.429 9.015 1.00 0.02 O ATOM 1108 CB ARG A 71 4.885 -9.866 11.794 1.00 0.34 C ATOM 1109 CG ARG A 71 4.908 -11.031 10.787 1.00 0.72 C ATOM 1110 CD ARG A 71 6.173 -11.897 10.984 1.00 1.04 C ATOM 1111 NE ARG A 71 6.771 -12.235 9.652 1.00 1.67 N ATOM 1112 CZ ARG A 71 6.030 -12.681 8.669 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.770 -12.957 8.863 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.564 -12.887 7.497 1.00 3.42 N ATOM 0 H ARG A 71 5.451 -7.883 13.227 1.00 0.01 H new ATOM 0 HA ARG A 71 6.710 -9.133 10.936 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.241 -10.208 12.766 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.862 -9.516 11.935 1.00 0.34 H new ATOM 0 HG2 ARG A 71 4.017 -11.646 10.914 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.883 -10.640 9.770 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.900 -11.361 11.594 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.919 -12.811 11.521 1.00 1.04 H new ATOM 0 HE ARG A 71 7.774 -12.115 9.509 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.355 -12.826 9.786 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.199 -13.304 8.092 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.556 -12.701 7.349 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.990 -13.234 6.729 1.00 3.42 H new ATOM 1128 N TRP A 72 4.496 -6.850 10.455 1.00 0.02 N ATOM 1129 CA TRP A 72 3.771 -6.032 9.441 1.00 0.01 C ATOM 1130 C TRP A 72 4.653 -4.818 9.124 1.00 0.01 C ATOM 1131 O TRP A 72 4.249 -3.882 8.466 1.00 0.02 O ATOM 1132 CB TRP A 72 2.417 -5.633 10.073 1.00 0.02 C ATOM 1133 CG TRP A 72 1.943 -4.285 9.621 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.656 -3.936 8.347 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.676 -3.109 10.439 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.241 -2.615 8.331 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.235 -2.065 9.597 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.776 -2.853 11.817 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.906 -0.807 10.106 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.444 -1.589 12.333 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.010 -0.568 11.477 1.00 0.02 C ATOM 0 H TRP A 72 4.506 -6.447 11.392 1.00 0.02 H new ATOM 0 HA TRP A 72 3.575 -6.561 8.509 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.667 -6.382 9.818 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.513 -5.635 11.159 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.737 -4.581 7.484 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.972 -2.110 7.487 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.110 -3.633 12.484 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.573 -0.023 9.442 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.524 -1.404 13.394 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.756 0.402 11.878 1.00 0.02 H new ATOM 1152 N MET A 73 5.865 -4.849 9.602 1.00 0.02 N ATOM 1153 CA MET A 73 6.814 -3.725 9.360 1.00 0.02 C ATOM 1154 C MET A 73 6.256 -2.425 9.947 1.00 0.01 C ATOM 1155 O MET A 73 6.645 -1.338 9.567 1.00 0.02 O ATOM 1156 CB MET A 73 7.045 -3.547 7.854 1.00 0.02 C ATOM 1157 CG MET A 73 7.294 -4.910 7.206 1.00 0.01 C ATOM 1158 SD MET A 73 7.532 -4.696 5.424 1.00 0.01 S ATOM 1159 CE MET A 73 7.764 -6.445 5.017 1.00 0.01 C ATOM 0 H MET A 73 6.244 -5.616 10.158 1.00 0.02 H new ATOM 0 HA MET A 73 7.761 -3.960 9.846 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.178 -3.069 7.397 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.898 -2.891 7.682 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.173 -5.379 7.647 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.450 -5.574 7.394 1.00 0.01 H new ATOM 0 HE1 MET A 73 7.930 -6.550 3.945 1.00 0.01 H new ATOM 0 HE2 MET A 73 8.627 -6.833 5.558 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.874 -7.006 5.303 1.00 0.01 H new ATOM 1169 N GLY A 74 5.346 -2.537 10.880 1.00 0.02 N ATOM 1170 CA GLY A 74 4.762 -1.320 11.500 1.00 0.02 C ATOM 1171 C GLY A 74 5.875 -0.515 12.164 1.00 0.01 C ATOM 1172 O GLY A 74 6.794 -1.066 12.735 1.00 0.01 O ATOM 0 H GLY A 74 4.985 -3.422 11.237 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.261 -0.716 10.743 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.008 -1.598 12.237 1.00 0.02 H new ATOM 1176 N LEU A 75 5.785 0.787 12.132 1.00 0.02 N ATOM 1177 CA LEU A 75 6.829 1.609 12.807 1.00 0.02 C ATOM 1178 C LEU A 75 6.532 1.591 14.313 1.00 0.01 C ATOM 1179 O LEU A 75 7.421 1.663 15.138 1.00 0.02 O ATOM 1180 CB LEU A 75 6.795 3.041 12.260 1.00 0.55 C ATOM 1181 CG LEU A 75 7.725 3.950 13.077 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.140 3.356 13.120 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.771 5.333 12.419 1.00 0.42 C ATOM 0 H LEU A 75 5.041 1.313 11.672 1.00 0.02 H new ATOM 0 HA LEU A 75 7.825 1.206 12.621 1.00 0.02 H new ATOM 0 HB2 LEU A 75 7.100 3.044 11.214 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.776 3.426 12.296 1.00 0.55 H new ATOM 0 HG LEU A 75 7.347 4.033 14.096 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.791 4.009 13.702 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.107 2.370 13.583 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.528 3.267 12.105 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.429 5.987 12.992 1.00 0.42 H new ATOM 0 HD22 LEU A 75 8.149 5.239 11.401 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.768 5.758 12.396 1.00 0.42 H new ATOM 1195 N ASN A 76 5.278 1.457 14.667 1.00 0.01 N ATOM 1196 CA ASN A 76 4.868 1.388 16.094 1.00 0.02 C ATOM 1197 C ASN A 76 3.517 0.668 16.126 1.00 0.02 C ATOM 1198 O ASN A 76 3.087 0.128 15.126 1.00 0.02 O ATOM 1199 CB ASN A 76 4.731 2.800 16.667 1.00 0.02 C ATOM 1200 CG ASN A 76 3.772 3.611 15.795 1.00 0.02 C ATOM 1201 OD1 ASN A 76 3.574 4.787 16.021 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.165 3.027 14.797 1.00 0.02 N ATOM 0 H ASN A 76 4.505 1.391 14.005 1.00 0.01 H new ATOM 0 HA ASN A 76 5.608 0.858 16.694 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.359 2.754 17.691 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.706 3.286 16.703 1.00 0.02 H new ATOM 0 HD21 ASN A 76 2.525 3.559 14.208 1.00 0.02 H new ATOM 0 HD22 ASN A 76 3.331 2.039 14.607 1.00 0.02 H new ATOM 1209 N ASP A 77 2.841 0.633 17.245 1.00 0.01 N ATOM 1210 CA ASP A 77 1.521 -0.081 17.298 1.00 0.01 C ATOM 1211 C ASP A 77 0.373 0.919 17.148 1.00 0.01 C ATOM 1212 O ASP A 77 -0.703 0.713 17.677 1.00 0.01 O ATOM 1213 CB ASP A 77 1.386 -0.789 18.647 1.00 0.01 C ATOM 1214 CG ASP A 77 2.383 -1.947 18.715 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.867 -2.348 17.669 1.00 0.02 O ATOM 1216 OD2 ASP A 77 2.648 -2.411 19.811 1.00 0.01 O ATOM 0 H ASP A 77 3.139 1.063 18.121 1.00 0.01 H new ATOM 0 HA ASP A 77 1.477 -0.805 16.484 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.572 -0.086 19.459 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.370 -1.162 18.774 1.00 0.01 H new ATOM 1221 N ARG A 78 0.593 2.011 16.455 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.486 3.037 16.301 1.00 0.01 C ATOM 1223 C ARG A 78 -1.217 2.881 14.962 1.00 0.02 C ATOM 1224 O ARG A 78 -0.629 2.967 13.902 1.00 0.02 O ATOM 1225 CB ARG A 78 0.132 4.436 16.390 1.00 0.43 C ATOM 1226 CG ARG A 78 0.509 4.736 17.843 1.00 0.80 C ATOM 1227 CD ARG A 78 1.227 6.084 17.917 1.00 1.00 C ATOM 1228 NE ARG A 78 1.255 6.552 19.332 1.00 1.30 N ATOM 1229 CZ ARG A 78 2.061 7.516 19.684 1.00 2.30 C ATOM 1230 NH1 ARG A 78 2.844 8.067 18.798 1.00 2.72 N ATOM 1231 NH2 ARG A 78 2.084 7.928 20.923 1.00 3.20 N ATOM 0 H ARG A 78 1.473 2.236 15.990 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.213 2.895 17.101 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.015 4.496 15.754 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.575 5.181 16.025 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -0.386 4.754 18.465 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.153 3.947 18.233 1.00 0.80 H new ATOM 0 HD2 ARG A 78 2.243 5.989 17.533 1.00 1.00 H new ATOM 0 HD3 ARG A 78 0.717 6.815 17.290 1.00 1.00 H new ATOM 0 HE ARG A 78 0.644 6.119 20.025 1.00 1.30 H new ATOM 0 HH11 ARG A 78 2.826 7.744 17.831 1.00 2.72 H new ATOM 0 HH12 ARG A 78 3.474 8.821 19.073 1.00 2.72 H new ATOM 0 HH21 ARG A 78 1.472 7.496 21.615 1.00 3.20 H new ATOM 0 HH22 ARG A 78 2.714 8.681 21.198 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.509 2.706 15.011 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.328 2.600 13.764 1.00 0.01 C ATOM 1247 C LEU A 79 -4.657 3.306 14.048 1.00 0.01 C ATOM 1248 O LEU A 79 -5.354 2.965 14.983 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.586 1.128 13.407 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.338 0.483 12.765 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.657 -0.980 12.403 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.917 1.248 11.488 1.00 2.61 C ATOM 0 H LEU A 79 -3.043 2.630 15.877 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.806 3.056 12.923 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.863 0.576 14.305 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.429 1.060 12.719 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.515 0.525 13.479 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.780 -1.442 11.949 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.929 -1.527 13.306 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.488 -1.007 11.698 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.036 0.775 11.054 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.733 1.227 10.766 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.685 2.282 11.743 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.986 4.325 13.290 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.246 5.099 13.561 1.00 0.02 C ATOM 1266 C GLY A 80 -7.337 4.814 12.527 1.00 0.02 C ATOM 1267 O GLY A 80 -8.495 5.106 12.754 1.00 0.01 O ATOM 0 H GLY A 80 -4.439 4.656 12.495 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.617 4.849 14.555 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.021 6.166 13.564 1.00 0.02 H new ATOM 1271 N SER A 81 -7.007 4.251 11.401 1.00 0.01 N ATOM 1272 CA SER A 81 -8.068 3.969 10.390 1.00 0.01 C ATOM 1273 C SER A 81 -7.617 2.836 9.476 1.00 0.02 C ATOM 1274 O SER A 81 -6.440 2.579 9.310 1.00 0.01 O ATOM 1275 CB SER A 81 -8.332 5.227 9.562 1.00 0.01 C ATOM 1276 OG SER A 81 -7.134 5.614 8.902 1.00 0.01 O ATOM 0 H SER A 81 -6.061 3.976 11.136 1.00 0.01 H new ATOM 0 HA SER A 81 -8.985 3.674 10.900 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.118 5.037 8.831 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.683 6.033 10.206 1.00 0.01 H new ATOM 0 HG SER A 81 -6.881 6.517 9.186 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.560 2.153 8.880 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.207 1.027 7.968 1.00 0.01 C ATOM 1284 C CYS A 82 -9.202 0.977 6.808 1.00 0.01 C ATOM 1285 O CYS A 82 -10.366 1.295 6.955 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.248 -0.295 8.735 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.947 -0.637 9.258 1.00 0.02 S ATOM 0 H CYS A 82 -9.559 2.327 8.986 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.201 1.184 7.578 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.880 -1.105 8.105 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.592 -0.244 9.604 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.775 0.014 8.496 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.751 0.563 5.654 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.661 0.473 4.469 1.00 0.01 C ATOM 1295 C ARG A 83 -9.430 -0.868 3.781 1.00 0.01 C ATOM 1296 O ARG A 83 -8.313 -1.326 3.644 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.314 1.587 3.476 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.637 2.957 4.085 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.881 4.056 3.322 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.725 3.654 1.895 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.379 4.540 1.001 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.173 5.779 1.356 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.238 4.187 -0.247 1.00 0.01 N ATOM 0 H ARG A 83 -7.787 0.281 5.478 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.697 0.570 4.792 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.257 1.536 3.216 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.876 1.449 2.552 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.710 3.142 4.039 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.356 2.973 5.138 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.424 4.999 3.388 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -7.903 4.220 3.774 1.00 0.01 H new ATOM 0 HE ARG A 83 -8.889 2.686 1.617 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.282 6.055 2.332 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -7.903 6.471 0.658 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.398 3.219 -0.524 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -7.968 4.879 -0.945 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.483 -1.506 3.341 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.321 -2.814 2.659 1.00 0.01 C ATOM 1319 C ALA A 84 -9.827 -2.552 1.246 1.00 0.01 C ATOM 1320 O ALA A 84 -10.382 -1.756 0.514 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.667 -3.538 2.590 1.00 0.43 C ATOM 0 H ALA A 84 -11.444 -1.175 3.426 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.613 -3.434 3.209 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.539 -4.497 2.088 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.043 -3.704 3.600 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.379 -2.929 2.033 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.793 -3.231 0.855 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.249 -3.055 -0.514 1.00 0.01 C ATOM 1329 C VAL A 85 -8.927 -4.070 -1.442 1.00 0.01 C ATOM 1330 O VAL A 85 -8.898 -5.261 -1.201 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.737 -3.274 -0.469 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.178 -3.344 -1.886 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.079 -2.107 0.271 1.00 1.12 C ATOM 0 H VAL A 85 -8.295 -3.909 1.432 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.445 -2.051 -0.891 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.527 -4.210 0.048 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.100 -3.500 -1.845 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.644 -4.172 -2.421 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.390 -2.410 -2.407 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.000 -2.260 0.305 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.297 -1.176 -0.251 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.470 -2.053 1.287 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.548 -3.607 -2.495 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.244 -4.537 -3.435 1.00 0.01 C ATOM 1345 C HIS A 86 -9.265 -4.976 -4.523 1.00 0.01 C ATOM 1346 O HIS A 86 -8.491 -4.197 -5.038 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.436 -3.814 -4.074 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.117 -2.965 -3.037 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -13.176 -3.436 -2.275 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -11.901 -1.675 -2.620 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.554 -2.444 -1.449 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -12.810 -1.347 -1.618 1.00 1.71 N ATOM 0 H HIS A 86 -9.604 -2.620 -2.746 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.601 -5.412 -2.893 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.097 -3.193 -4.903 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.138 -4.539 -4.485 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -11.141 -1.015 -3.010 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -14.361 -2.524 -0.736 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -12.891 -0.460 -1.120 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.297 -6.240 -4.858 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.376 -6.786 -5.900 1.00 0.01 C ATOM 1362 C LEU A 87 -9.155 -6.922 -7.211 1.00 0.01 C ATOM 1363 O LEU A 87 -10.274 -7.397 -7.225 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.869 -8.192 -5.460 1.00 0.67 C ATOM 1365 CG LEU A 87 -8.087 -8.412 -3.954 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.681 -9.838 -3.589 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -7.246 -7.425 -3.138 1.00 1.34 C ATOM 0 H LEU A 87 -9.931 -6.926 -4.448 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.524 -6.119 -6.032 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.393 -8.964 -6.023 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.809 -8.290 -5.695 1.00 0.67 H new ATOM 0 HG LEU A 87 -9.140 -8.251 -3.725 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.834 -9.998 -2.522 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -8.289 -10.545 -4.153 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.629 -9.990 -3.831 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -7.414 -7.596 -2.075 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -6.190 -7.571 -3.367 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.535 -6.405 -3.391 1.00 1.34 H new ATOM 1379 N SER A 88 -8.563 -6.539 -8.314 1.00 0.01 N ATOM 1380 CA SER A 88 -9.242 -6.672 -9.641 1.00 0.01 C ATOM 1381 C SER A 88 -8.491 -7.703 -10.482 1.00 0.01 C ATOM 1382 O SER A 88 -7.305 -7.560 -10.702 1.00 0.01 O ATOM 1383 CB SER A 88 -9.231 -5.326 -10.364 1.00 0.81 C ATOM 1384 OG SER A 88 -7.978 -5.154 -11.013 1.00 1.08 O ATOM 0 H SER A 88 -7.627 -6.135 -8.353 1.00 0.01 H new ATOM 0 HA SER A 88 -10.274 -6.991 -9.493 1.00 0.01 H new ATOM 0 HB2 SER A 88 -10.040 -5.285 -11.093 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.400 -4.517 -9.654 1.00 0.81 H new ATOM 0 HG SER A 88 -8.110 -4.674 -11.857 1.00 1.08 H new ATOM 1390 N SER A 89 -9.149 -8.704 -11.010 1.00 0.01 N ATOM 1391 CA SER A 89 -8.437 -9.683 -11.892 1.00 0.01 C ATOM 1392 C SER A 89 -8.828 -9.329 -13.323 1.00 0.01 C ATOM 1393 O SER A 89 -9.219 -8.206 -13.576 1.00 0.01 O ATOM 1394 CB SER A 89 -8.893 -11.107 -11.567 1.00 0.43 C ATOM 1395 OG SER A 89 -8.420 -11.469 -10.276 1.00 1.26 O ATOM 0 H SER A 89 -10.143 -8.887 -10.871 1.00 0.01 H new ATOM 0 HA SER A 89 -7.358 -9.636 -11.748 1.00 0.01 H new ATOM 0 HB2 SER A 89 -9.981 -11.169 -11.599 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.512 -11.803 -12.315 1.00 0.43 H new ATOM 0 HG SER A 89 -8.712 -12.380 -10.064 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.785 -10.245 -14.263 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.218 -9.900 -15.655 1.00 0.00 C ATOM 1403 C GLY A 90 -8.281 -10.474 -16.722 1.00 0.00 C ATOM 1404 O GLY A 90 -8.730 -11.088 -17.669 1.00 0.01 O ATOM 0 H GLY A 90 -8.472 -11.207 -14.129 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.227 -10.277 -15.822 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.262 -8.816 -15.760 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.991 -10.300 -16.598 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.094 -10.872 -17.639 1.00 0.00 C ATOM 1410 C GLY A 91 -4.621 -10.538 -17.379 1.00 0.00 C ATOM 1411 O GLY A 91 -3.975 -11.181 -16.575 1.00 0.01 O ATOM 0 H GLY A 91 -6.530 -9.798 -15.839 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.220 -11.954 -17.670 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.385 -10.489 -18.617 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.076 -9.556 -18.060 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.626 -9.200 -17.865 1.00 2.31 C ATOM 1417 C GLN A 92 -2.493 -7.745 -17.403 1.00 1.91 C ATOM 1418 O GLN A 92 -2.890 -6.817 -18.080 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.885 -9.419 -19.195 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.392 -9.665 -18.936 1.00 2.86 C ATOM 1421 CD GLN A 92 0.180 -8.526 -18.092 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.201 -7.389 -18.520 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.646 -8.782 -16.900 1.00 4.43 N ATOM 0 H GLN A 92 -4.571 -8.983 -18.744 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.187 -9.835 -17.095 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.315 -10.270 -19.723 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.011 -8.548 -19.838 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.254 -10.616 -18.422 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.144 -9.734 -19.882 1.00 2.86 H new ATOM 0 HE21 GLN A 92 0.629 -9.736 -16.540 1.00 4.43 H new ATOM 0 HE22 GLN A 92 1.027 -8.028 -16.329 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.933 -7.561 -16.237 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.767 -6.180 -15.702 1.00 0.01 C ATOM 1434 C ALA A 93 -0.592 -5.501 -16.413 1.00 0.01 C ATOM 1435 O ALA A 93 0.486 -6.053 -16.518 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.489 -6.247 -14.197 1.00 2.99 C ATOM 0 H ALA A 93 -1.584 -8.306 -15.634 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.678 -5.606 -15.875 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.367 -5.238 -13.804 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.324 -6.734 -13.694 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.577 -6.817 -14.020 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.802 -4.309 -16.911 1.00 0.00 N ATOM 1443 CA LYS A 94 0.283 -3.570 -17.633 1.00 0.01 C ATOM 1444 C LYS A 94 0.384 -2.149 -17.072 1.00 0.01 C ATOM 1445 O LYS A 94 -0.616 -1.516 -16.793 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.087 -3.518 -19.116 1.00 2.49 C ATOM 1447 CG LYS A 94 0.935 -2.666 -19.870 1.00 3.43 C ATOM 1448 CD LYS A 94 0.765 -2.871 -21.378 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.592 -2.323 -21.836 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.659 -3.320 -21.541 1.00 6.36 N ATOM 0 H LYS A 94 -1.689 -3.809 -16.848 1.00 0.00 H new ATOM 0 HA LYS A 94 1.243 -4.070 -17.504 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.112 -4.526 -19.531 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.086 -3.099 -19.238 1.00 2.49 H new ATOM 0 HG2 LYS A 94 0.802 -1.614 -19.619 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.946 -2.940 -19.567 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.569 -2.367 -21.914 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.837 -3.932 -21.619 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.807 -1.384 -21.326 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.567 -2.108 -22.904 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.193 -3.524 -22.410 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.226 -4.197 -21.187 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -2.303 -2.936 -20.821 1.00 6.36 H new ATOM 1464 N ILE A 95 1.586 -1.641 -16.898 1.00 0.00 N ATOM 1465 CA ILE A 95 1.754 -0.255 -16.344 1.00 0.01 C ATOM 1466 C ILE A 95 2.697 0.554 -17.238 1.00 0.01 C ATOM 1467 O ILE A 95 3.671 0.049 -17.767 1.00 0.01 O ATOM 1468 CB ILE A 95 2.334 -0.337 -14.927 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.616 1.075 -14.410 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.634 -1.143 -14.942 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.850 1.030 -12.900 1.00 1.09 C ATOM 0 H ILE A 95 2.456 -2.126 -17.116 1.00 0.00 H new ATOM 0 HA ILE A 95 0.782 0.238 -16.312 1.00 0.01 H new ATOM 0 HB ILE A 95 1.615 -0.830 -14.273 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.491 1.489 -14.912 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.777 1.732 -14.639 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.040 -1.197 -13.932 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.433 -2.150 -15.307 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.356 -0.657 -15.598 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.051 2.036 -12.533 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.963 0.634 -12.406 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.703 0.388 -12.683 1.00 1.09 H new ATOM 1483 N GLN A 96 2.430 1.833 -17.359 1.00 0.01 N ATOM 1484 CA GLN A 96 3.308 2.747 -18.153 1.00 0.01 C ATOM 1485 C GLN A 96 3.767 3.866 -17.213 1.00 0.01 C ATOM 1486 O GLN A 96 2.964 4.438 -16.502 1.00 0.00 O ATOM 1487 CB GLN A 96 2.539 3.323 -19.349 1.00 0.53 C ATOM 1488 CG GLN A 96 1.080 3.537 -18.971 1.00 0.82 C ATOM 1489 CD GLN A 96 0.352 4.220 -20.129 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.733 5.293 -20.555 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.689 3.640 -20.662 1.00 2.05 N ATOM 0 H GLN A 96 1.624 2.289 -16.932 1.00 0.01 H new ATOM 0 HA GLN A 96 4.168 2.208 -18.551 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.986 4.268 -19.659 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.608 2.643 -20.198 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.608 2.581 -18.743 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.012 4.149 -18.072 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -1.010 2.740 -20.305 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.182 4.087 -21.435 1.00 2.05 H new ATOM 1500 N VAL A 97 5.033 4.193 -17.199 1.00 0.01 N ATOM 1501 CA VAL A 97 5.529 5.284 -16.293 1.00 0.01 C ATOM 1502 C VAL A 97 6.241 6.350 -17.122 1.00 0.01 C ATOM 1503 O VAL A 97 6.830 6.065 -18.148 1.00 0.01 O ATOM 1504 CB VAL A 97 6.510 4.694 -15.277 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.746 3.832 -14.270 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.543 3.831 -16.006 1.00 1.03 C ATOM 0 H VAL A 97 5.750 3.753 -17.776 1.00 0.01 H new ATOM 0 HA VAL A 97 4.685 5.733 -15.769 1.00 0.01 H new ATOM 0 HB VAL A 97 7.018 5.503 -14.752 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.445 3.412 -13.547 1.00 1.10 H new ATOM 0 HG12 VAL A 97 5.010 4.446 -13.750 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.238 3.023 -14.795 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.242 3.411 -15.283 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.035 3.023 -16.532 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.088 4.444 -16.723 1.00 1.03 H new ATOM 1516 N PHE A 98 6.165 7.588 -16.689 1.00 0.01 N ATOM 1517 CA PHE A 98 6.807 8.708 -17.451 1.00 0.01 C ATOM 1518 C PHE A 98 7.867 9.409 -16.598 1.00 0.01 C ATOM 1519 O PHE A 98 7.723 9.591 -15.405 1.00 0.01 O ATOM 1520 CB PHE A 98 5.737 9.723 -17.846 1.00 0.25 C ATOM 1521 CG PHE A 98 4.791 9.096 -18.846 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.844 8.159 -18.418 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.852 9.462 -20.198 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.960 7.585 -19.340 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.966 8.889 -21.118 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.021 7.951 -20.689 1.00 0.69 C ATOM 0 H PHE A 98 5.683 7.871 -15.836 1.00 0.01 H new ATOM 0 HA PHE A 98 7.287 8.295 -18.338 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.186 10.049 -16.964 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.203 10.609 -18.276 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.795 7.878 -17.376 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.582 10.186 -20.530 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.231 6.860 -19.010 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.012 9.171 -22.159 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.338 7.509 -21.400 1.00 0.69 H new ATOM 1536 N GLU A 99 8.950 9.771 -17.228 1.00 0.01 N ATOM 1537 CA GLU A 99 10.070 10.431 -16.501 1.00 0.01 C ATOM 1538 C GLU A 99 9.656 11.810 -15.972 1.00 0.01 C ATOM 1539 O GLU A 99 10.180 12.270 -14.977 1.00 0.01 O ATOM 1540 CB GLU A 99 11.264 10.592 -17.443 1.00 0.01 C ATOM 1541 CG GLU A 99 12.502 10.985 -16.634 1.00 0.01 C ATOM 1542 CD GLU A 99 13.728 10.987 -17.546 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.665 10.361 -18.592 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.711 11.613 -17.184 1.00 0.01 O ATOM 0 H GLU A 99 9.108 9.636 -18.227 1.00 0.01 H new ATOM 0 HA GLU A 99 10.340 9.803 -15.652 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.447 9.660 -17.978 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.049 11.354 -18.193 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.363 11.972 -16.192 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.649 10.285 -15.811 1.00 0.01 H new ATOM 1551 N LYS A 100 8.736 12.483 -16.630 1.00 0.01 N ATOM 1552 CA LYS A 100 8.310 13.847 -16.159 1.00 0.01 C ATOM 1553 C LYS A 100 6.832 13.836 -15.754 1.00 0.01 C ATOM 1554 O LYS A 100 6.113 12.885 -15.990 1.00 0.01 O ATOM 1555 CB LYS A 100 8.515 14.864 -17.286 1.00 0.94 C ATOM 1556 CG LYS A 100 9.979 14.846 -17.749 1.00 1.63 C ATOM 1557 CD LYS A 100 10.880 15.539 -16.715 1.00 2.19 C ATOM 1558 CE LYS A 100 12.240 15.847 -17.347 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.074 16.883 -18.404 1.00 3.18 N ATOM 0 H LYS A 100 8.263 12.149 -17.470 1.00 0.01 H new ATOM 0 HA LYS A 100 8.914 14.122 -15.294 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.857 14.629 -18.123 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.247 15.862 -16.940 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.308 13.817 -17.895 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.068 15.348 -18.712 1.00 1.63 H new ATOM 0 HD2 LYS A 100 10.411 16.460 -16.368 1.00 2.19 H new ATOM 0 HD3 LYS A 100 11.009 14.899 -15.842 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.936 16.198 -16.585 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.667 14.940 -17.775 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 12.950 17.437 -18.487 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.868 16.422 -19.313 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.288 17.515 -18.151 1.00 3.18 H new ATOM 1573 N GLY A 101 6.386 14.893 -15.129 1.00 0.01 N ATOM 1574 CA GLY A 101 4.965 14.974 -14.677 1.00 0.01 C ATOM 1575 C GLY A 101 4.018 15.121 -15.872 1.00 0.00 C ATOM 1576 O GLY A 101 4.421 15.444 -16.973 1.00 0.01 O ATOM 0 H GLY A 101 6.952 15.713 -14.910 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.707 14.078 -14.112 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.841 15.822 -14.004 1.00 0.01 H new ATOM 1580 N ASP A 102 2.749 14.906 -15.636 1.00 0.01 N ATOM 1581 CA ASP A 102 1.724 15.046 -16.712 1.00 0.00 C ATOM 1582 C ASP A 102 2.037 14.134 -17.897 1.00 0.00 C ATOM 1583 O ASP A 102 1.823 14.480 -19.042 1.00 0.01 O ATOM 1584 CB ASP A 102 1.678 16.499 -17.187 1.00 0.01 C ATOM 1585 CG ASP A 102 0.488 16.693 -18.129 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -0.317 15.781 -18.231 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.402 17.749 -18.733 1.00 0.01 O ATOM 0 H ASP A 102 2.375 14.635 -14.727 1.00 0.01 H new ATOM 0 HA ASP A 102 0.757 14.755 -16.302 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.591 17.169 -16.332 1.00 0.01 H new ATOM 0 HB3 ASP A 102 2.606 16.754 -17.699 1.00 0.01 H new ATOM 1592 N PHE A 103 2.512 12.953 -17.620 1.00 0.01 N ATOM 1593 CA PHE A 103 2.809 11.979 -18.707 1.00 0.01 C ATOM 1594 C PHE A 103 3.695 12.605 -19.788 1.00 0.00 C ATOM 1595 O PHE A 103 3.368 12.578 -20.958 1.00 0.01 O ATOM 1596 CB PHE A 103 1.493 11.509 -19.335 1.00 0.01 C ATOM 1597 CG PHE A 103 0.468 11.278 -18.246 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.667 10.263 -17.303 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.681 12.080 -18.177 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.279 10.048 -16.293 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.626 11.864 -17.168 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.426 10.849 -16.226 1.00 0.01 C ATOM 0 H PHE A 103 2.709 12.617 -16.677 1.00 0.01 H new ATOM 0 HA PHE A 103 3.345 11.134 -18.276 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.128 12.255 -20.041 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.654 10.590 -19.898 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.551 9.645 -17.354 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.836 12.864 -18.903 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.124 9.265 -15.566 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.511 12.481 -17.116 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.156 10.683 -15.447 1.00 0.01 H new ATOM 1612 N ASN A 104 4.826 13.142 -19.409 1.00 0.00 N ATOM 1613 CA ASN A 104 5.769 13.744 -20.407 1.00 0.01 C ATOM 1614 C ASN A 104 7.163 13.164 -20.155 1.00 0.01 C ATOM 1615 O ASN A 104 7.409 12.547 -19.135 1.00 0.01 O ATOM 1616 CB ASN A 104 5.808 15.266 -20.235 1.00 1.68 C ATOM 1617 CG ASN A 104 6.915 15.856 -21.112 1.00 2.31 C ATOM 1618 OD1 ASN A 104 7.848 16.454 -20.613 1.00 3.15 O ATOM 1619 ND2 ASN A 104 6.852 15.712 -22.407 1.00 2.38 N ATOM 0 H ASN A 104 5.142 13.191 -18.441 1.00 0.00 H new ATOM 0 HA ASN A 104 5.439 13.515 -21.420 1.00 0.01 H new ATOM 0 HB2 ASN A 104 4.845 15.697 -20.509 1.00 1.68 H new ATOM 0 HB3 ASN A 104 5.985 15.519 -19.190 1.00 1.68 H new ATOM 0 HD21 ASN A 104 7.585 16.101 -23.000 1.00 2.38 H new ATOM 0 HD22 ASN A 104 6.069 15.210 -22.827 1.00 2.38 H new ATOM 1626 N GLY A 105 8.077 13.333 -21.075 1.00 0.01 N ATOM 1627 CA GLY A 105 9.450 12.777 -20.882 1.00 0.01 C ATOM 1628 C GLY A 105 9.527 11.389 -21.517 1.00 0.01 C ATOM 1629 O GLY A 105 8.666 11.003 -22.283 1.00 0.01 O ATOM 0 H GLY A 105 7.932 13.832 -21.952 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.189 13.438 -21.334 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.684 12.717 -19.819 1.00 0.01 H new ATOM 1633 N GLN A 106 10.533 10.624 -21.196 1.00 0.01 N ATOM 1634 CA GLN A 106 10.634 9.257 -21.774 1.00 0.01 C ATOM 1635 C GLN A 106 9.633 8.351 -21.054 1.00 0.01 C ATOM 1636 O GLN A 106 9.373 8.502 -19.876 1.00 0.01 O ATOM 1637 CB GLN A 106 12.055 8.723 -21.580 1.00 0.01 C ATOM 1638 CG GLN A 106 12.208 7.384 -22.308 1.00 0.01 C ATOM 1639 CD GLN A 106 12.092 7.601 -23.818 1.00 0.01 C ATOM 1640 OE1 GLN A 106 11.200 7.073 -24.453 1.00 0.01 O ATOM 1641 NE2 GLN A 106 12.960 8.361 -24.424 1.00 0.01 N ATOM 0 H GLN A 106 11.287 10.886 -20.561 1.00 0.01 H new ATOM 0 HA GLN A 106 10.411 9.281 -22.841 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.779 9.441 -21.964 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.264 8.596 -20.518 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.173 6.937 -22.068 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.441 6.686 -21.971 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.709 8.804 -23.892 1.00 0.01 H new ATOM 0 HE22 GLN A 106 12.891 8.512 -25.430 1.00 0.01 H new ATOM 1650 N MET A 107 9.059 7.419 -21.774 1.00 0.01 N ATOM 1651 CA MET A 107 8.049 6.493 -21.171 1.00 0.01 C ATOM 1652 C MET A 107 8.563 5.054 -21.216 1.00 0.01 C ATOM 1653 O MET A 107 9.174 4.623 -22.173 1.00 0.01 O ATOM 1654 CB MET A 107 6.749 6.578 -21.977 1.00 0.00 C ATOM 1655 CG MET A 107 5.661 5.729 -21.312 1.00 0.01 C ATOM 1656 SD MET A 107 4.162 5.772 -22.326 1.00 0.01 S ATOM 1657 CE MET A 107 4.563 4.362 -23.387 1.00 0.01 C ATOM 0 H MET A 107 9.249 7.258 -22.763 1.00 0.01 H new ATOM 0 HA MET A 107 7.874 6.782 -20.135 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.421 7.615 -22.045 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.920 6.231 -22.996 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.006 4.701 -21.196 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.448 6.108 -20.312 1.00 0.01 H new ATOM 0 HE1 MET A 107 3.757 4.205 -24.104 1.00 0.01 H new ATOM 0 HE2 MET A 107 5.491 4.562 -23.923 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.683 3.468 -22.775 1.00 0.01 H new ATOM 1667 N TYR A 108 8.279 4.302 -20.183 1.00 0.01 N ATOM 1668 CA TYR A 108 8.692 2.868 -20.122 1.00 0.00 C ATOM 1669 C TYR A 108 7.460 2.042 -19.730 1.00 0.01 C ATOM 1670 O TYR A 108 6.707 2.410 -18.849 1.00 0.01 O ATOM 1671 CB TYR A 108 9.780 2.684 -19.064 1.00 0.54 C ATOM 1672 CG TYR A 108 10.981 3.530 -19.410 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.038 4.868 -19.000 1.00 0.93 C ATOM 1674 CD2 TYR A 108 12.045 2.974 -20.131 1.00 1.24 C ATOM 1675 CE1 TYR A 108 12.155 5.650 -19.314 1.00 1.51 C ATOM 1676 CE2 TYR A 108 13.163 3.756 -20.444 1.00 1.76 C ATOM 1677 CZ TYR A 108 13.219 5.094 -20.036 1.00 1.82 C ATOM 1678 OH TYR A 108 14.323 5.864 -20.341 1.00 2.48 O ATOM 0 H TYR A 108 7.768 4.629 -19.363 1.00 0.01 H new ATOM 0 HA TYR A 108 9.084 2.547 -21.087 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.397 2.965 -18.083 1.00 0.54 H new ATOM 0 HB3 TYR A 108 10.068 1.634 -19.005 1.00 0.54 H new ATOM 0 HD1 TYR A 108 10.219 5.296 -18.441 1.00 0.93 H new ATOM 0 HD2 TYR A 108 12.003 1.942 -20.446 1.00 1.24 H new ATOM 0 HE1 TYR A 108 12.197 6.682 -19.000 1.00 1.51 H new ATOM 0 HE2 TYR A 108 13.983 3.327 -21.001 1.00 1.76 H new ATOM 0 HH TYR A 108 14.969 5.325 -20.844 1.00 2.48 H new ATOM 1688 N GLU A 109 7.240 0.942 -20.407 1.00 0.01 N ATOM 1689 CA GLU A 109 6.041 0.082 -20.126 1.00 0.01 C ATOM 1690 C GLU A 109 6.482 -1.323 -19.725 1.00 0.01 C ATOM 1691 O GLU A 109 7.360 -1.905 -20.332 1.00 0.01 O ATOM 1692 CB GLU A 109 5.193 0.020 -21.401 1.00 0.01 C ATOM 1693 CG GLU A 109 3.906 -0.773 -21.140 1.00 0.01 C ATOM 1694 CD GLU A 109 4.201 -2.275 -21.187 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.400 -2.785 -22.277 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.218 -2.889 -20.134 1.00 0.00 O ATOM 0 H GLU A 109 7.845 0.597 -21.152 1.00 0.01 H new ATOM 0 HA GLU A 109 5.461 0.504 -19.305 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.947 1.029 -21.733 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.762 -0.449 -22.203 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.494 -0.505 -20.167 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.154 -0.518 -21.886 1.00 0.01 H new ATOM 1703 N THR A 110 5.882 -1.878 -18.699 1.00 0.01 N ATOM 1704 CA THR A 110 6.276 -3.250 -18.262 1.00 0.00 C ATOM 1705 C THR A 110 5.083 -3.988 -17.637 1.00 0.01 C ATOM 1706 O THR A 110 4.177 -3.399 -17.080 1.00 0.01 O ATOM 1707 CB THR A 110 7.407 -3.157 -17.234 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.580 -4.420 -16.607 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.059 -2.108 -16.178 1.00 1.69 C ATOM 0 H THR A 110 5.141 -1.442 -18.150 1.00 0.01 H new ATOM 0 HA THR A 110 6.612 -3.806 -19.137 1.00 0.00 H new ATOM 0 HB THR A 110 8.330 -2.869 -17.738 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.305 -4.362 -15.950 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.866 -2.045 -15.448 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.927 -1.138 -16.658 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.135 -2.392 -15.674 1.00 1.69 H new ATOM 1717 N THR A 111 5.100 -5.290 -17.752 1.00 0.00 N ATOM 1718 CA THR A 111 4.000 -6.142 -17.195 1.00 0.01 C ATOM 1719 C THR A 111 4.512 -6.918 -15.978 1.00 0.01 C ATOM 1720 O THR A 111 3.855 -7.819 -15.495 1.00 0.01 O ATOM 1721 CB THR A 111 3.537 -7.131 -18.270 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.550 -8.106 -18.482 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.266 -6.379 -19.574 1.00 0.01 C ATOM 0 H THR A 111 5.843 -5.811 -18.217 1.00 0.00 H new ATOM 0 HA THR A 111 3.167 -5.507 -16.892 1.00 0.01 H new ATOM 0 HB THR A 111 2.622 -7.624 -17.942 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.255 -8.740 -19.168 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.937 -7.083 -20.338 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.489 -5.633 -19.409 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.179 -5.885 -19.905 1.00 0.01 H new ATOM 1731 N GLU A 112 5.690 -6.597 -15.496 1.00 0.01 N ATOM 1732 CA GLU A 112 6.268 -7.340 -14.325 1.00 0.01 C ATOM 1733 C GLU A 112 6.544 -6.397 -13.149 1.00 0.01 C ATOM 1734 O GLU A 112 6.612 -5.193 -13.299 1.00 0.01 O ATOM 1735 CB GLU A 112 7.585 -7.988 -14.755 1.00 0.85 C ATOM 1736 CG GLU A 112 7.358 -8.821 -16.017 1.00 1.61 C ATOM 1737 CD GLU A 112 8.689 -9.409 -16.488 1.00 2.51 C ATOM 1738 OE1 GLU A 112 9.689 -8.716 -16.386 1.00 3.07 O ATOM 1739 OE2 GLU A 112 8.688 -10.541 -16.941 1.00 3.21 O ATOM 0 H GLU A 112 6.280 -5.850 -15.863 1.00 0.01 H new ATOM 0 HA GLU A 112 5.548 -8.093 -14.004 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.335 -7.220 -14.944 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.970 -8.620 -13.954 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.647 -9.621 -15.814 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.925 -8.201 -16.802 1.00 1.61 H new ATOM 1746 N ASP A 113 6.729 -6.953 -11.981 1.00 0.01 N ATOM 1747 CA ASP A 113 7.035 -6.123 -10.780 1.00 0.01 C ATOM 1748 C ASP A 113 8.408 -5.483 -10.980 1.00 0.00 C ATOM 1749 O ASP A 113 9.244 -6.006 -11.690 1.00 0.01 O ATOM 1750 CB ASP A 113 7.078 -7.022 -9.544 1.00 0.01 C ATOM 1751 CG ASP A 113 5.656 -7.427 -9.157 1.00 0.01 C ATOM 1752 OD1 ASP A 113 4.907 -7.803 -10.043 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.341 -7.358 -7.981 1.00 0.00 O ATOM 0 H ASP A 113 6.681 -7.957 -11.807 1.00 0.01 H new ATOM 0 HA ASP A 113 6.272 -5.356 -10.645 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.677 -7.909 -9.748 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.556 -6.498 -8.717 1.00 0.01 H new ATOM 1758 N CYS A 114 8.659 -4.369 -10.330 1.00 0.01 N ATOM 1759 CA CYS A 114 9.996 -3.701 -10.442 1.00 0.01 C ATOM 1760 C CYS A 114 10.602 -3.570 -9.027 1.00 0.01 C ATOM 1761 O CYS A 114 10.126 -2.765 -8.243 1.00 0.01 O ATOM 1762 CB CYS A 114 9.802 -2.298 -11.019 1.00 0.01 C ATOM 1763 SG CYS A 114 11.356 -1.376 -10.903 1.00 0.01 S ATOM 0 H CYS A 114 7.991 -3.892 -9.724 1.00 0.01 H new ATOM 0 HA CYS A 114 10.654 -4.285 -11.086 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.482 -2.362 -12.059 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.015 -1.775 -10.475 1.00 0.01 H new ATOM 0 HG CYS A 114 12.117 -1.680 -11.912 1.00 0.01 H new ATOM 1769 N PRO A 115 11.644 -4.317 -8.682 1.00 0.01 N ATOM 1770 CA PRO A 115 12.253 -4.191 -7.327 1.00 0.01 C ATOM 1771 C PRO A 115 13.125 -2.934 -7.219 1.00 0.01 C ATOM 1772 O PRO A 115 13.203 -2.317 -6.175 1.00 0.01 O ATOM 1773 CB PRO A 115 13.095 -5.474 -7.225 1.00 0.01 C ATOM 1774 CG PRO A 115 13.305 -6.012 -8.652 1.00 0.01 C ATOM 1775 CD PRO A 115 12.278 -5.331 -9.579 1.00 0.01 C ATOM 0 HA PRO A 115 11.520 -4.088 -6.527 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.054 -5.265 -6.750 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.588 -6.216 -6.608 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.320 -5.804 -8.991 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.177 -7.094 -8.673 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.757 -4.866 -10.441 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.548 -6.042 -9.965 1.00 0.01 H new ATOM 1783 N SER A 116 13.781 -2.552 -8.285 1.00 0.01 N ATOM 1784 CA SER A 116 14.650 -1.337 -8.246 1.00 0.02 C ATOM 1785 C SER A 116 14.455 -0.561 -9.547 1.00 0.01 C ATOM 1786 O SER A 116 14.882 -0.972 -10.608 1.00 0.00 O ATOM 1787 CB SER A 116 16.114 -1.762 -8.107 1.00 0.01 C ATOM 1788 OG SER A 116 16.376 -2.835 -9.002 1.00 0.01 O ATOM 0 H SER A 116 13.752 -3.032 -9.185 1.00 0.01 H new ATOM 0 HA SER A 116 14.383 -0.708 -7.397 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.772 -0.921 -8.326 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.320 -2.069 -7.082 1.00 0.01 H new ATOM 0 HG SER A 116 15.929 -2.664 -9.857 1.00 0.01 H new ATOM 1794 N ILE A 117 13.771 0.543 -9.462 1.00 0.01 N ATOM 1795 CA ILE A 117 13.482 1.359 -10.671 1.00 0.01 C ATOM 1796 C ILE A 117 14.768 1.917 -11.280 1.00 0.01 C ATOM 1797 O ILE A 117 14.904 1.980 -12.484 1.00 0.00 O ATOM 1798 CB ILE A 117 12.556 2.505 -10.264 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.182 1.925 -9.929 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.420 3.516 -11.407 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.301 3.001 -9.297 1.00 1.83 C ATOM 0 H ILE A 117 13.394 0.920 -8.592 1.00 0.01 H new ATOM 0 HA ILE A 117 13.006 0.732 -11.425 1.00 0.01 H new ATOM 0 HB ILE A 117 12.973 3.018 -9.397 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.710 1.541 -10.833 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.290 1.084 -9.245 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.757 4.325 -11.100 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.401 3.923 -11.651 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.005 3.020 -12.284 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.324 2.579 -9.061 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.770 3.364 -8.382 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.180 3.829 -9.996 1.00 1.83 H new ATOM 1813 N MET A 118 15.694 2.354 -10.471 1.00 0.02 N ATOM 1814 CA MET A 118 16.936 2.938 -11.047 1.00 0.01 C ATOM 1815 C MET A 118 17.737 1.857 -11.767 1.00 0.01 C ATOM 1816 O MET A 118 18.324 2.100 -12.797 1.00 0.02 O ATOM 1817 CB MET A 118 17.792 3.573 -9.947 1.00 0.24 C ATOM 1818 CG MET A 118 18.923 4.380 -10.584 1.00 0.63 C ATOM 1819 SD MET A 118 20.039 4.981 -9.290 1.00 1.20 S ATOM 1820 CE MET A 118 21.140 3.544 -9.253 1.00 1.34 C ATOM 0 H MET A 118 15.646 2.333 -9.452 1.00 0.02 H new ATOM 0 HA MET A 118 16.655 3.712 -11.761 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.177 4.220 -9.321 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.203 2.799 -9.299 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.472 3.760 -11.293 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.513 5.220 -11.145 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.920 3.702 -8.508 1.00 1.34 H new ATOM 0 HE2 MET A 118 20.567 2.653 -8.995 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.596 3.410 -10.234 1.00 1.34 H new ATOM 1830 N GLU A 119 17.774 0.666 -11.254 1.00 0.01 N ATOM 1831 CA GLU A 119 18.551 -0.394 -11.945 1.00 0.02 C ATOM 1832 C GLU A 119 17.848 -0.790 -13.246 1.00 0.02 C ATOM 1833 O GLU A 119 18.481 -1.088 -14.239 1.00 0.01 O ATOM 1834 CB GLU A 119 18.665 -1.617 -11.032 1.00 0.30 C ATOM 1835 CG GLU A 119 19.733 -2.565 -11.581 1.00 0.99 C ATOM 1836 CD GLU A 119 19.648 -3.907 -10.853 1.00 1.69 C ATOM 1837 OE1 GLU A 119 18.874 -4.744 -11.285 1.00 2.07 O ATOM 1838 OE2 GLU A 119 20.359 -4.076 -9.876 1.00 2.11 O ATOM 0 H GLU A 119 17.305 0.380 -10.394 1.00 0.01 H new ATOM 0 HA GLU A 119 19.547 -0.017 -12.178 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.925 -1.306 -10.020 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.705 -2.130 -10.971 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.589 -2.710 -12.652 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.723 -2.130 -11.449 1.00 0.99 H new ATOM 1845 N GLN A 120 16.543 -0.854 -13.230 1.00 0.00 N ATOM 1846 CA GLN A 120 15.797 -1.299 -14.444 1.00 0.01 C ATOM 1847 C GLN A 120 15.631 -0.177 -15.473 1.00 0.01 C ATOM 1848 O GLN A 120 15.806 -0.387 -16.657 1.00 0.01 O ATOM 1849 CB GLN A 120 14.410 -1.788 -14.021 1.00 0.52 C ATOM 1850 CG GLN A 120 13.694 -2.405 -15.225 1.00 1.07 C ATOM 1851 CD GLN A 120 12.358 -2.999 -14.772 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.987 -2.882 -13.621 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.615 -3.635 -15.636 1.00 2.08 N ATOM 0 H GLN A 120 15.960 -0.617 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 120 16.374 -2.096 -14.912 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.501 -2.524 -13.222 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.826 -0.958 -13.624 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.527 -1.647 -15.990 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.316 -3.180 -15.674 1.00 1.07 H new ATOM 0 HE21 GLN A 120 11.927 -3.733 -16.602 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.723 -4.034 -15.345 1.00 2.08 H new ATOM 1862 N PHE A 121 15.215 0.989 -15.040 1.00 0.02 N ATOM 1863 CA PHE A 121 14.939 2.106 -16.004 1.00 0.01 C ATOM 1864 C PHE A 121 15.939 3.258 -15.875 1.00 0.01 C ATOM 1865 O PHE A 121 15.871 4.223 -16.610 1.00 0.01 O ATOM 1866 CB PHE A 121 13.526 2.621 -15.733 1.00 0.01 C ATOM 1867 CG PHE A 121 12.560 1.463 -15.818 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.081 1.039 -17.064 1.00 0.01 C ATOM 1869 CD2 PHE A 121 12.151 0.806 -14.652 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.191 -0.041 -17.141 1.00 0.01 C ATOM 1871 CE2 PHE A 121 11.263 -0.273 -14.729 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.783 -0.697 -15.973 1.00 0.01 C ATOM 0 H PHE A 121 15.054 1.218 -14.059 1.00 0.02 H new ATOM 0 HA PHE A 121 15.037 1.719 -17.018 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.475 3.083 -14.747 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.259 3.389 -16.459 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.397 1.544 -17.965 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.521 1.132 -13.691 1.00 0.01 H new ATOM 0 HE1 PHE A 121 10.820 -0.367 -18.101 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.948 -0.778 -13.828 1.00 0.01 H new ATOM 0 HZ PHE A 121 10.098 -1.530 -16.032 1.00 0.01 H new ATOM 1882 N HIS A 122 16.863 3.178 -14.960 1.00 0.01 N ATOM 1883 CA HIS A 122 17.851 4.282 -14.802 1.00 0.01 C ATOM 1884 C HIS A 122 17.123 5.581 -14.438 1.00 0.01 C ATOM 1885 O HIS A 122 17.533 6.658 -14.822 1.00 0.02 O ATOM 1886 CB HIS A 122 18.632 4.455 -16.110 1.00 0.01 C ATOM 1887 CG HIS A 122 18.904 3.103 -16.711 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.769 1.931 -15.983 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.305 2.720 -17.967 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.084 0.909 -16.798 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.418 1.333 -18.020 1.00 0.01 N ATOM 0 H HIS A 122 16.978 2.397 -14.315 1.00 0.01 H new ATOM 0 HA HIS A 122 18.549 4.039 -14.001 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.062 5.068 -16.808 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.570 4.976 -15.920 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.503 3.392 -18.789 1.00 0.01 H new ATOM 0 HE1 HIS A 122 19.069 -0.129 -16.501 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.696 0.764 -18.819 1.00 0.01 H new ATOM 1899 N LEU A 123 16.043 5.483 -13.689 1.00 0.01 N ATOM 1900 CA LEU A 123 15.274 6.711 -13.279 1.00 0.01 C ATOM 1901 C LEU A 123 15.380 6.885 -11.762 1.00 0.02 C ATOM 1902 O LEU A 123 15.262 5.938 -11.010 1.00 0.01 O ATOM 1903 CB LEU A 123 13.801 6.560 -13.674 1.00 0.01 C ATOM 1904 CG LEU A 123 13.694 6.125 -15.137 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.221 5.899 -15.487 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.275 7.215 -16.047 1.00 0.01 C ATOM 0 H LEU A 123 15.660 4.603 -13.343 1.00 0.01 H new ATOM 0 HA LEU A 123 15.690 7.584 -13.782 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.317 5.825 -13.031 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.278 7.505 -13.528 1.00 0.01 H new ATOM 0 HG LEU A 123 14.254 5.201 -15.284 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.138 5.589 -16.529 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.809 5.122 -14.843 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.666 6.825 -15.339 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.196 6.900 -17.088 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.719 8.142 -15.905 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.323 7.378 -15.796 1.00 0.01 H new ATOM 1918 N ARG A 124 15.620 8.087 -11.304 1.00 0.01 N ATOM 1919 CA ARG A 124 15.756 8.324 -9.834 1.00 0.00 C ATOM 1920 C ARG A 124 14.398 8.661 -9.206 1.00 0.01 C ATOM 1921 O ARG A 124 14.210 8.525 -8.013 1.00 0.01 O ATOM 1922 CB ARG A 124 16.721 9.493 -9.587 1.00 1.67 C ATOM 1923 CG ARG A 124 18.151 9.130 -10.057 1.00 1.98 C ATOM 1924 CD ARG A 124 18.364 9.575 -11.510 1.00 2.92 C ATOM 1925 NE ARG A 124 18.373 11.064 -11.572 1.00 3.54 N ATOM 1926 CZ ARG A 124 18.827 11.669 -12.635 1.00 4.57 C ATOM 1927 NH1 ARG A 124 19.265 10.971 -13.646 1.00 5.25 N ATOM 1928 NH2 ARG A 124 18.840 12.974 -12.686 1.00 5.32 N ATOM 0 H ARG A 124 15.728 8.917 -11.886 1.00 0.01 H new ATOM 0 HA ARG A 124 16.142 7.413 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.372 10.378 -10.119 1.00 1.67 H new ATOM 0 HB3 ARG A 124 16.734 9.743 -8.526 1.00 1.67 H new ATOM 0 HG2 ARG A 124 18.886 9.610 -9.411 1.00 1.98 H new ATOM 0 HG3 ARG A 124 18.307 8.054 -9.973 1.00 1.98 H new ATOM 0 HD2 ARG A 124 19.305 9.178 -11.890 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.571 9.178 -12.144 1.00 2.92 H new ATOM 0 HE ARG A 124 18.024 11.610 -10.784 1.00 3.54 H new ATOM 0 HH11 ARG A 124 19.253 9.952 -13.606 1.00 5.25 H new ATOM 0 HH12 ARG A 124 19.620 11.444 -14.477 1.00 5.25 H new ATOM 0 HH21 ARG A 124 18.496 13.519 -11.895 1.00 5.32 H new ATOM 0 HH22 ARG A 124 19.195 13.448 -13.516 1.00 5.32 H new ATOM 1942 N GLU A 125 13.453 9.121 -9.987 1.00 0.01 N ATOM 1943 CA GLU A 125 12.119 9.488 -9.414 1.00 0.01 C ATOM 1944 C GLU A 125 11.017 9.238 -10.448 1.00 0.01 C ATOM 1945 O GLU A 125 11.280 9.108 -11.628 1.00 0.01 O ATOM 1946 CB GLU A 125 12.120 10.974 -9.049 1.00 0.01 C ATOM 1947 CG GLU A 125 13.176 11.233 -7.972 1.00 0.01 C ATOM 1948 CD GLU A 125 12.948 12.615 -7.354 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.929 13.579 -8.102 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.797 12.684 -6.146 1.00 0.02 O ATOM 0 H GLU A 125 13.546 9.258 -10.993 1.00 0.01 H new ATOM 0 HA GLU A 125 11.933 8.880 -8.529 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.331 11.577 -9.933 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.136 11.272 -8.688 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.120 10.465 -7.201 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.174 11.177 -8.406 1.00 0.01 H new ATOM 1957 N ILE A 126 9.778 9.198 -10.015 1.00 0.01 N ATOM 1958 CA ILE A 126 8.633 8.988 -10.960 1.00 0.01 C ATOM 1959 C ILE A 126 7.599 10.081 -10.682 1.00 0.01 C ATOM 1960 O ILE A 126 7.216 10.289 -9.548 1.00 0.01 O ATOM 1961 CB ILE A 126 7.989 7.622 -10.702 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.066 6.518 -10.697 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.941 7.329 -11.781 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.789 6.414 -12.055 1.00 1.70 C ATOM 0 H ILE A 126 9.509 9.303 -9.037 1.00 0.01 H new ATOM 0 HA ILE A 126 8.983 9.027 -11.992 1.00 0.01 H new ATOM 0 HB ILE A 126 7.501 7.639 -9.727 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.794 6.725 -9.913 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.603 5.561 -10.458 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.487 6.356 -11.592 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.171 8.100 -11.759 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.419 7.322 -12.760 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.539 5.625 -12.008 1.00 1.70 H new ATOM 0 HD12 ILE A 126 9.065 6.181 -12.836 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.275 7.363 -12.282 1.00 1.70 H new ATOM 1976 N HIS A 127 7.184 10.820 -11.690 1.00 0.01 N ATOM 1977 CA HIS A 127 6.214 11.944 -11.449 1.00 0.01 C ATOM 1978 C HIS A 127 4.823 11.664 -12.026 1.00 0.01 C ATOM 1979 O HIS A 127 3.869 12.340 -11.696 1.00 0.01 O ATOM 1980 CB HIS A 127 6.768 13.230 -12.067 1.00 0.02 C ATOM 1981 CG HIS A 127 8.109 13.538 -11.461 1.00 0.01 C ATOM 1982 ND1 HIS A 127 8.330 14.669 -10.692 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.307 12.870 -11.498 1.00 0.01 C ATOM 1984 CE1 HIS A 127 9.618 14.648 -10.301 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.259 13.572 -10.764 1.00 0.02 N ATOM 0 H HIS A 127 7.472 10.695 -12.661 1.00 0.01 H new ATOM 0 HA HIS A 127 6.101 12.047 -10.370 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.862 13.116 -13.147 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.079 14.057 -11.892 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.485 11.940 -12.018 1.00 0.01 H new ATOM 0 HE1 HIS A 127 10.077 15.409 -9.687 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.235 13.319 -10.613 1.00 0.02 H new ATOM 1993 N SER A 128 4.677 10.666 -12.857 1.00 0.01 N ATOM 1994 CA SER A 128 3.325 10.355 -13.408 1.00 0.01 C ATOM 1995 C SER A 128 3.314 8.919 -13.938 1.00 0.01 C ATOM 1996 O SER A 128 4.334 8.381 -14.323 1.00 0.01 O ATOM 1997 CB SER A 128 3.004 11.322 -14.548 1.00 0.01 C ATOM 1998 OG SER A 128 4.136 11.436 -15.401 1.00 0.01 O ATOM 0 H SER A 128 5.430 10.056 -13.176 1.00 0.01 H new ATOM 0 HA SER A 128 2.577 10.461 -12.623 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.143 10.963 -15.113 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.737 12.300 -14.147 1.00 0.01 H new ATOM 0 HG SER A 128 4.615 12.267 -15.200 1.00 0.01 H new ATOM 2004 N CYS A 129 2.166 8.293 -13.962 1.00 0.01 N ATOM 2005 CA CYS A 129 2.085 6.890 -14.461 1.00 0.01 C ATOM 2006 C CYS A 129 0.618 6.532 -14.728 1.00 0.00 C ATOM 2007 O CYS A 129 -0.274 6.950 -14.008 1.00 0.01 O ATOM 2008 CB CYS A 129 2.662 5.940 -13.411 1.00 0.69 C ATOM 2009 SG CYS A 129 1.601 5.950 -11.943 1.00 1.22 S ATOM 0 H CYS A 129 1.280 8.695 -13.657 1.00 0.01 H new ATOM 0 HA CYS A 129 2.657 6.796 -15.384 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.731 4.931 -13.817 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.674 6.246 -13.144 1.00 0.69 H new ATOM 0 HG CYS A 129 0.443 6.456 -12.248 1.00 1.22 H new ATOM 2015 N LYS A 130 0.353 5.757 -15.757 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.064 5.372 -16.070 1.00 0.01 C ATOM 2017 C LYS A 130 -1.186 3.847 -16.108 1.00 0.01 C ATOM 2018 O LYS A 130 -0.837 3.196 -17.067 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.451 5.948 -17.436 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.959 5.795 -17.653 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.285 5.987 -19.138 1.00 0.29 C ATOM 2022 CE LYS A 130 -2.728 7.329 -19.621 1.00 0.33 C ATOM 2023 NZ LYS A 130 -3.369 7.689 -20.919 1.00 1.41 N ATOM 0 H LYS A 130 1.055 5.376 -16.392 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.728 5.767 -15.301 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.171 7.000 -17.490 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.906 5.432 -18.226 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.286 4.809 -17.323 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.499 6.528 -17.054 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -2.856 5.173 -19.722 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -4.364 5.954 -19.290 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -2.921 8.104 -18.879 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -1.647 7.265 -19.741 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -2.993 8.600 -21.251 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.163 6.952 -21.624 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -4.398 7.766 -20.789 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.708 3.292 -15.056 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.910 1.817 -14.952 1.00 0.01 C ATOM 2039 C VAL A 131 -3.404 1.537 -15.070 1.00 0.01 C ATOM 2040 O VAL A 131 -4.201 2.217 -14.456 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.405 1.329 -13.594 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.194 2.019 -12.480 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.597 -0.184 -13.493 1.00 0.01 C ATOM 0 H VAL A 131 -2.014 3.814 -14.235 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.363 1.300 -15.741 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.346 1.568 -13.492 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.835 1.672 -11.511 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -2.058 3.098 -12.552 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.252 1.779 -12.582 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.237 -0.533 -12.525 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.655 -0.424 -13.595 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -1.036 -0.676 -14.287 1.00 0.01 H new ATOM 2053 N VAL A 132 -3.806 0.516 -15.796 1.00 0.01 N ATOM 2054 CA VAL A 132 -5.246 0.174 -15.878 1.00 0.01 C ATOM 2055 C VAL A 132 -5.363 -1.302 -15.526 1.00 0.00 C ATOM 2056 O VAL A 132 -5.292 -2.185 -16.358 1.00 0.01 O ATOM 2057 CB VAL A 132 -5.754 0.407 -17.303 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -7.276 0.251 -17.337 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -5.378 1.822 -17.750 1.00 1.98 C ATOM 0 H VAL A 132 -3.187 -0.091 -16.334 1.00 0.01 H new ATOM 0 HA VAL A 132 -5.837 0.791 -15.201 1.00 0.01 H new ATOM 0 HB VAL A 132 -5.300 -0.322 -17.974 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -7.636 0.417 -18.352 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -7.546 -0.755 -17.016 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -7.732 0.980 -16.667 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -5.739 1.991 -18.765 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -5.833 2.549 -17.077 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -4.294 1.935 -17.727 1.00 1.98 H new ATOM 2069 N GLU A 133 -5.584 -1.536 -14.284 1.00 0.01 N ATOM 2070 CA GLU A 133 -5.773 -2.911 -13.746 1.00 0.01 C ATOM 2071 C GLU A 133 -6.779 -2.769 -12.614 1.00 0.01 C ATOM 2072 O GLU A 133 -7.938 -3.112 -12.740 1.00 0.01 O ATOM 2073 CB GLU A 133 -4.444 -3.451 -13.202 1.00 0.00 C ATOM 2074 CG GLU A 133 -4.616 -4.908 -12.738 1.00 0.00 C ATOM 2075 CD GLU A 133 -3.525 -5.273 -11.725 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -3.132 -4.406 -10.963 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -3.105 -6.419 -11.724 1.00 0.00 O ATOM 0 H GLU A 133 -5.646 -0.803 -13.577 1.00 0.01 H new ATOM 0 HA GLU A 133 -6.118 -3.603 -14.514 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -3.676 -3.395 -13.974 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -4.105 -2.834 -12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.600 -5.040 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -4.565 -5.579 -13.596 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.332 -2.266 -11.500 1.00 0.01 N ATOM 2085 CA GLY A 134 -7.227 -2.091 -10.335 1.00 0.01 C ATOM 2086 C GLY A 134 -6.399 -1.535 -9.181 1.00 0.01 C ATOM 2087 O GLY A 134 -6.453 -0.358 -8.884 1.00 0.01 O ATOM 0 H GLY A 134 -5.369 -1.965 -11.349 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -8.043 -1.411 -10.580 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -7.679 -3.043 -10.056 1.00 0.01 H new ATOM 2091 N THR A 135 -5.628 -2.377 -8.529 1.00 0.01 N ATOM 2092 CA THR A 135 -4.779 -1.910 -7.388 1.00 0.01 C ATOM 2093 C THR A 135 -3.296 -2.237 -7.630 1.00 0.01 C ATOM 2094 O THR A 135 -2.904 -3.367 -7.874 1.00 0.01 O ATOM 2095 CB THR A 135 -5.262 -2.578 -6.105 1.00 1.43 C ATOM 2096 OG1 THR A 135 -5.139 -3.987 -6.229 1.00 1.92 O ATOM 2097 CG2 THR A 135 -6.728 -2.205 -5.870 1.00 2.30 C ATOM 0 H THR A 135 -5.552 -3.372 -8.741 1.00 0.01 H new ATOM 0 HA THR A 135 -4.870 -0.827 -7.300 1.00 0.01 H new ATOM 0 HB THR A 135 -4.659 -2.240 -5.262 1.00 1.43 H new ATOM 0 HG1 THR A 135 -5.448 -4.416 -5.404 1.00 1.92 H new ATOM 0 HG21 THR A 135 -7.082 -2.679 -4.954 1.00 2.30 H new ATOM 0 HG22 THR A 135 -6.818 -1.123 -5.777 1.00 2.30 H new ATOM 0 HG23 THR A 135 -7.330 -2.548 -6.712 1.00 2.30 H new ATOM 2105 N TRP A 136 -2.473 -1.230 -7.533 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.992 -1.389 -7.710 1.00 0.01 C ATOM 2107 C TRP A 136 -0.345 -0.778 -6.468 1.00 0.01 C ATOM 2108 O TRP A 136 -0.902 0.125 -5.876 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.531 -0.645 -8.977 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.606 -1.557 -10.165 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.743 -2.094 -10.663 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.479 -2.048 -11.004 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.425 -2.878 -11.757 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.067 -2.882 -12.007 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.872 -1.848 -10.996 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.736 -3.501 -12.964 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.685 -2.470 -11.957 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.118 -3.294 -12.940 1.00 0.01 C ATOM 0 H TRP A 136 -2.769 -0.275 -7.333 1.00 0.01 H new ATOM 0 HA TRP A 136 -0.712 -2.436 -7.824 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.157 0.232 -9.142 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.490 -0.287 -8.847 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.737 -1.936 -10.271 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.110 -3.391 -12.312 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.318 -1.212 -10.246 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.294 -4.135 -13.718 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.753 -2.313 -11.939 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.749 -3.768 -13.678 1.00 0.01 H new ATOM 2129 N ILE A 137 0.815 -1.236 -6.048 1.00 0.01 N ATOM 2130 CA ILE A 137 1.458 -0.644 -4.829 1.00 0.00 C ATOM 2131 C ILE A 137 2.802 -0.030 -5.212 1.00 0.01 C ATOM 2132 O ILE A 137 3.607 -0.635 -5.892 1.00 0.01 O ATOM 2133 CB ILE A 137 1.717 -1.743 -3.788 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.465 -2.610 -3.584 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.102 -1.092 -2.458 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.877 -3.939 -2.940 1.00 1.69 C ATOM 0 H ILE A 137 1.340 -1.989 -6.494 1.00 0.01 H new ATOM 0 HA ILE A 137 0.793 0.115 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 137 2.526 -2.380 -4.146 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.253 -2.091 -2.949 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -0.027 -2.791 -4.540 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.287 -1.867 -1.714 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.004 -0.495 -2.593 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.289 -0.450 -2.118 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -0.006 -4.561 -2.792 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.580 -4.457 -3.592 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.350 -3.746 -1.977 1.00 1.69 H new ATOM 2148 N PHE A 138 3.054 1.161 -4.745 1.00 0.01 N ATOM 2149 CA PHE A 138 4.350 1.853 -5.021 1.00 0.01 C ATOM 2150 C PHE A 138 5.101 1.924 -3.685 1.00 0.01 C ATOM 2151 O PHE A 138 4.497 2.145 -2.656 1.00 0.00 O ATOM 2152 CB PHE A 138 4.061 3.277 -5.547 1.00 1.11 C ATOM 2153 CG PHE A 138 4.007 3.320 -7.066 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.580 2.211 -7.819 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.389 4.494 -7.725 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.542 2.287 -9.216 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.351 4.567 -9.121 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.928 3.463 -9.868 1.00 2.49 C ATOM 0 H PHE A 138 2.403 1.697 -4.171 1.00 0.01 H new ATOM 0 HA PHE A 138 4.941 1.325 -5.769 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.113 3.629 -5.140 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.833 3.959 -5.192 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.282 1.301 -7.319 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.715 5.349 -7.152 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.214 1.435 -9.793 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.648 5.476 -9.622 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.899 3.518 -10.946 1.00 2.49 H new ATOM 2168 N TYR A 139 6.403 1.741 -3.686 1.00 0.01 N ATOM 2169 CA TYR A 139 7.190 1.801 -2.407 1.00 0.01 C ATOM 2170 C TYR A 139 8.258 2.891 -2.527 1.00 0.01 C ATOM 2171 O TYR A 139 8.824 3.108 -3.586 1.00 0.01 O ATOM 2172 CB TYR A 139 7.881 0.454 -2.162 1.00 0.01 C ATOM 2173 CG TYR A 139 6.894 -0.553 -1.618 1.00 0.01 C ATOM 2174 CD1 TYR A 139 5.934 -1.119 -2.464 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.954 -0.939 -0.273 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.036 -2.068 -1.965 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.053 -1.885 0.226 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.093 -2.450 -0.620 1.00 0.02 C ATOM 2179 OH TYR A 139 4.207 -3.387 -0.128 1.00 0.00 O ATOM 0 H TYR A 139 6.957 1.552 -4.521 1.00 0.01 H new ATOM 0 HA TYR A 139 6.518 2.023 -1.578 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.312 0.084 -3.093 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.704 0.583 -1.459 1.00 0.01 H new ATOM 0 HD1 TYR A 139 5.886 -0.823 -3.502 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.697 -0.505 0.380 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.297 -2.507 -2.619 1.00 0.01 H new ATOM 0 HE2 TYR A 139 6.098 -2.179 1.264 1.00 0.02 H new ATOM 0 HH TYR A 139 4.525 -3.714 0.739 1.00 0.00 H new ATOM 2189 N GLU A 140 8.509 3.603 -1.458 1.00 0.01 N ATOM 2190 CA GLU A 140 9.495 4.721 -1.499 1.00 0.02 C ATOM 2191 C GLU A 140 10.928 4.186 -1.553 1.00 0.01 C ATOM 2192 O GLU A 140 11.797 4.832 -2.106 1.00 0.01 O ATOM 2193 CB GLU A 140 9.309 5.549 -0.221 1.00 0.01 C ATOM 2194 CG GLU A 140 10.283 6.736 -0.202 1.00 0.02 C ATOM 2195 CD GLU A 140 10.046 7.628 -1.423 1.00 0.02 C ATOM 2196 OE1 GLU A 140 10.634 7.354 -2.457 1.00 0.02 O ATOM 2197 OE2 GLU A 140 9.282 8.571 -1.304 1.00 0.01 O ATOM 0 H GLU A 140 8.068 3.455 -0.550 1.00 0.01 H new ATOM 0 HA GLU A 140 9.329 5.326 -2.391 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.283 5.912 -0.162 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.475 4.921 0.654 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.147 7.314 0.712 1.00 0.02 H new ATOM 0 HG3 GLU A 140 11.311 6.373 -0.200 1.00 0.02 H new ATOM 2204 N LEU A 141 11.204 3.033 -0.983 1.00 0.01 N ATOM 2205 CA LEU A 141 12.605 2.492 -1.005 1.00 0.02 C ATOM 2206 C LEU A 141 12.622 1.180 -1.815 1.00 0.01 C ATOM 2207 O LEU A 141 11.614 0.505 -1.917 1.00 0.01 O ATOM 2208 CB LEU A 141 13.033 2.212 0.448 1.00 0.57 C ATOM 2209 CG LEU A 141 13.573 3.498 1.107 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.466 3.384 2.629 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.046 3.717 0.729 1.00 1.24 C ATOM 0 H LEU A 141 10.522 2.445 -0.505 1.00 0.01 H new ATOM 0 HA LEU A 141 13.289 3.206 -1.464 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.184 1.833 1.017 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.800 1.437 0.465 1.00 0.57 H new ATOM 0 HG LEU A 141 12.980 4.341 0.753 1.00 0.81 H new ATOM 0 HD11 LEU A 141 13.849 4.295 3.090 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.422 3.245 2.911 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.051 2.530 2.972 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.411 4.628 1.202 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.639 2.868 1.070 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.134 3.810 -0.353 1.00 1.24 H new ATOM 2223 N PRO A 142 13.756 0.810 -2.384 1.00 0.01 N ATOM 2224 CA PRO A 142 13.844 -0.445 -3.187 1.00 0.01 C ATOM 2225 C PRO A 142 13.430 -1.693 -2.397 1.00 0.01 C ATOM 2226 O PRO A 142 13.303 -1.685 -1.189 1.00 0.01 O ATOM 2227 CB PRO A 142 15.339 -0.496 -3.578 1.00 0.01 C ATOM 2228 CG PRO A 142 16.073 0.624 -2.820 1.00 0.02 C ATOM 2229 CD PRO A 142 15.020 1.599 -2.273 1.00 0.01 C ATOM 0 HA PRO A 142 13.164 -0.439 -4.039 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.765 -1.467 -3.326 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.455 -0.366 -4.654 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.666 0.207 -2.005 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.764 1.143 -3.484 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.230 1.886 -1.242 1.00 0.01 H new ATOM 0 HD3 PRO A 142 14.977 2.518 -2.857 1.00 0.01 H new ATOM 2237 N ASN A 143 13.254 -2.768 -3.113 1.00 0.01 N ATOM 2238 CA ASN A 143 12.882 -4.068 -2.491 1.00 0.01 C ATOM 2239 C ASN A 143 11.551 -3.966 -1.746 1.00 0.01 C ATOM 2240 O ASN A 143 11.309 -4.658 -0.777 1.00 0.01 O ATOM 2241 CB ASN A 143 13.976 -4.489 -1.508 1.00 0.23 C ATOM 2242 CG ASN A 143 13.791 -5.961 -1.133 1.00 0.11 C ATOM 2243 OD1 ASN A 143 14.682 -6.574 -0.578 1.00 0.75 O ATOM 2244 ND2 ASN A 143 12.666 -6.559 -1.414 1.00 0.56 N ATOM 0 H ASN A 143 13.355 -2.800 -4.127 1.00 0.01 H new ATOM 0 HA ASN A 143 12.777 -4.809 -3.284 1.00 0.01 H new ATOM 0 HB2 ASN A 143 14.958 -4.338 -1.955 1.00 0.23 H new ATOM 0 HB3 ASN A 143 13.934 -3.867 -0.614 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.535 -7.540 -1.168 1.00 0.56 H new ATOM 0 HD22 ASN A 143 11.918 -6.045 -1.880 1.00 0.56 H new ATOM 2251 N TYR A 144 10.671 -3.128 -2.223 1.00 0.01 N ATOM 2252 CA TYR A 144 9.327 -2.988 -1.594 1.00 0.02 C ATOM 2253 C TYR A 144 9.449 -2.602 -0.114 1.00 0.01 C ATOM 2254 O TYR A 144 8.862 -3.231 0.745 1.00 0.01 O ATOM 2255 CB TYR A 144 8.577 -4.323 -1.727 1.00 0.01 C ATOM 2256 CG TYR A 144 8.964 -4.978 -3.037 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.867 -4.254 -4.232 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.429 -6.300 -3.056 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.232 -4.850 -5.445 1.00 0.01 C ATOM 2260 CE2 TYR A 144 9.795 -6.895 -4.269 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.696 -6.171 -5.464 1.00 0.01 C ATOM 2262 OH TYR A 144 10.057 -6.758 -6.659 1.00 0.01 O ATOM 0 H TYR A 144 10.829 -2.527 -3.032 1.00 0.01 H new ATOM 0 HA TYR A 144 8.777 -2.196 -2.102 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.823 -4.978 -0.891 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.501 -4.155 -1.694 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.510 -3.235 -4.218 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.505 -6.859 -2.135 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.156 -4.291 -6.366 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.154 -7.913 -4.284 1.00 0.01 H new ATOM 0 HH TYR A 144 10.358 -7.676 -6.495 1.00 0.01 H new ATOM 2272 N ARG A 145 10.205 -1.570 0.186 1.00 0.02 N ATOM 2273 CA ARG A 145 10.370 -1.136 1.618 1.00 0.01 C ATOM 2274 C ARG A 145 10.040 0.355 1.762 1.00 0.01 C ATOM 2275 O ARG A 145 9.961 1.082 0.789 1.00 0.01 O ATOM 2276 CB ARG A 145 11.824 -1.373 2.054 1.00 0.01 C ATOM 2277 CG ARG A 145 12.065 -2.873 2.319 1.00 0.02 C ATOM 2278 CD ARG A 145 11.645 -3.240 3.749 1.00 0.01 C ATOM 2279 NE ARG A 145 12.348 -2.360 4.725 1.00 0.01 N ATOM 2280 CZ ARG A 145 11.919 -2.276 5.953 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.874 -2.963 6.326 1.00 0.02 N ATOM 2282 NH2 ARG A 145 12.534 -1.506 6.809 1.00 0.01 N ATOM 0 H ARG A 145 10.715 -1.009 -0.496 1.00 0.02 H new ATOM 0 HA ARG A 145 9.691 -1.714 2.245 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.505 -1.019 1.280 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.039 -0.798 2.955 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.500 -3.470 1.603 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.119 -3.110 2.171 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.566 -3.132 3.860 1.00 0.01 H new ATOM 0 HD3 ARG A 145 11.883 -4.284 3.951 1.00 0.01 H new ATOM 0 HE ARG A 145 13.165 -1.824 4.432 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.394 -3.565 5.657 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.537 -2.898 7.287 1.00 0.02 H new ATOM 0 HH21 ARG A 145 13.351 -0.969 6.517 1.00 0.01 H new ATOM 0 HH22 ARG A 145 12.198 -1.441 7.770 1.00 0.01 H new ATOM 2296 N GLY A 146 9.840 0.816 2.975 1.00 0.01 N ATOM 2297 CA GLY A 146 9.511 2.256 3.203 1.00 0.02 C ATOM 2298 C GLY A 146 7.994 2.467 3.158 1.00 0.01 C ATOM 2299 O GLY A 146 7.221 1.531 3.218 1.00 0.02 O ATOM 0 H GLY A 146 9.892 0.250 3.822 1.00 0.01 H new ATOM 0 HA2 GLY A 146 9.901 2.577 4.169 1.00 0.02 H new ATOM 0 HA3 GLY A 146 9.994 2.871 2.444 1.00 0.02 H new ATOM 2303 N ARG A 147 7.570 3.697 3.053 1.00 0.01 N ATOM 2304 CA ARG A 147 6.110 3.995 3.004 1.00 0.01 C ATOM 2305 C ARG A 147 5.551 3.489 1.676 1.00 0.01 C ATOM 2306 O ARG A 147 6.208 3.535 0.652 1.00 0.01 O ATOM 2307 CB ARG A 147 5.901 5.511 3.112 1.00 0.01 C ATOM 2308 CG ARG A 147 4.452 5.806 3.518 1.00 0.01 C ATOM 2309 CD ARG A 147 4.116 7.271 3.213 1.00 0.01 C ATOM 2310 NE ARG A 147 5.336 8.107 3.380 1.00 0.02 N ATOM 2311 CZ ARG A 147 5.367 9.316 2.893 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.323 9.798 2.278 1.00 0.01 N ATOM 2313 NH2 ARG A 147 6.442 10.042 3.025 1.00 0.02 N ATOM 0 H ARG A 147 8.177 4.515 2.999 1.00 0.01 H new ATOM 0 HA ARG A 147 5.596 3.503 3.830 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.587 5.931 3.847 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.126 5.988 2.158 1.00 0.01 H new ATOM 0 HG2 ARG A 147 3.772 5.147 2.978 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.314 5.605 4.580 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.736 7.363 2.196 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.329 7.621 3.881 1.00 0.01 H new ATOM 0 HE ARG A 147 6.147 7.735 3.875 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.482 9.229 2.178 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.347 10.744 1.897 1.00 0.01 H new ATOM 0 HH21 ARG A 147 7.257 9.664 3.509 1.00 0.02 H new ATOM 0 HH22 ARG A 147 6.468 10.988 2.645 1.00 0.02 H new ATOM 2327 N GLN A 148 4.346 2.967 1.699 1.00 0.01 N ATOM 2328 CA GLN A 148 3.731 2.405 0.459 1.00 0.01 C ATOM 2329 C GLN A 148 2.543 3.269 0.023 1.00 0.01 C ATOM 2330 O GLN A 148 1.842 3.831 0.836 1.00 0.01 O ATOM 2331 CB GLN A 148 3.226 0.993 0.792 1.00 0.00 C ATOM 2332 CG GLN A 148 4.216 0.295 1.729 1.00 0.02 C ATOM 2333 CD GLN A 148 3.792 -1.162 1.925 1.00 0.02 C ATOM 2334 OE1 GLN A 148 4.325 -1.853 2.770 1.00 0.02 O ATOM 2335 NE2 GLN A 148 2.845 -1.663 1.179 1.00 0.01 N ATOM 0 H GLN A 148 3.760 2.907 2.532 1.00 0.01 H new ATOM 0 HA GLN A 148 4.464 2.383 -0.348 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.244 1.050 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.108 0.414 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.222 0.339 1.311 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.247 0.808 2.690 1.00 0.02 H new ATOM 0 HE21 GLN A 148 2.396 -1.085 0.469 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.554 -2.632 1.306 1.00 0.01 H new ATOM 2344 N TYR A 149 2.308 3.356 -1.261 1.00 0.01 N ATOM 2345 CA TYR A 149 1.154 4.154 -1.787 1.00 0.01 C ATOM 2346 C TYR A 149 0.280 3.243 -2.651 1.00 0.01 C ATOM 2347 O TYR A 149 0.781 2.490 -3.462 1.00 0.01 O ATOM 2348 CB TYR A 149 1.674 5.325 -2.626 1.00 0.01 C ATOM 2349 CG TYR A 149 2.701 6.095 -1.831 1.00 0.01 C ATOM 2350 CD1 TYR A 149 4.049 5.721 -1.880 1.00 0.01 C ATOM 2351 CD2 TYR A 149 2.304 7.183 -1.044 1.00 0.01 C ATOM 2352 CE1 TYR A 149 5.001 6.435 -1.142 1.00 0.01 C ATOM 2353 CE2 TYR A 149 3.255 7.897 -0.306 1.00 0.01 C ATOM 2354 CZ TYR A 149 4.603 7.523 -0.355 1.00 0.01 C ATOM 2355 OH TYR A 149 5.541 8.228 0.373 1.00 0.01 O ATOM 0 H TYR A 149 2.873 2.903 -1.979 1.00 0.01 H new ATOM 0 HA TYR A 149 0.568 4.550 -0.958 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.116 4.956 -3.551 1.00 0.01 H new ATOM 0 HB3 TYR A 149 0.849 5.980 -2.907 1.00 0.01 H new ATOM 0 HD1 TYR A 149 4.355 4.882 -2.487 1.00 0.01 H new ATOM 0 HD2 TYR A 149 1.264 7.471 -1.006 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.041 6.147 -1.180 1.00 0.01 H new ATOM 0 HE2 TYR A 149 2.949 8.736 0.301 1.00 0.01 H new ATOM 0 HH TYR A 149 5.545 9.164 0.082 1.00 0.01 H new ATOM 2365 N LEU A 150 -1.016 3.271 -2.470 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.905 2.369 -3.269 1.00 0.01 C ATOM 2367 C LEU A 150 -2.477 3.129 -4.467 1.00 0.01 C ATOM 2368 O LEU A 150 -3.152 4.130 -4.318 1.00 0.01 O ATOM 2369 CB LEU A 150 -3.044 1.896 -2.356 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.867 0.792 -3.054 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.195 -0.574 -2.871 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.273 0.739 -2.446 1.00 0.01 C ATOM 0 H LEU A 150 -1.497 3.877 -1.806 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.340 1.514 -3.642 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.635 1.517 -1.420 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.690 2.737 -2.104 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.926 1.023 -4.118 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.788 -1.341 -3.369 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.196 -0.549 -3.305 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -3.123 -0.805 -1.808 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.854 -0.041 -2.939 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -5.201 0.519 -1.381 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.766 1.701 -2.585 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.224 2.645 -5.657 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.761 3.314 -6.879 1.00 0.01 C ATOM 2386 C LEU A 151 -4.053 2.603 -7.290 1.00 0.01 C ATOM 2387 O LEU A 151 -4.152 1.395 -7.208 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.731 3.216 -8.014 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.661 4.298 -7.839 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -0.016 4.168 -6.457 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.411 4.132 -8.918 1.00 0.01 C ATOM 0 H LEU A 151 -1.665 1.810 -5.834 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.962 4.366 -6.675 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.267 2.230 -8.012 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.226 3.334 -8.978 1.00 0.01 H new ATOM 0 HG LEU A 151 -1.124 5.281 -7.930 1.00 0.01 H new ATOM 0 HD11 LEU A 151 0.745 4.939 -6.336 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.778 4.287 -5.687 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.446 3.185 -6.362 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.173 4.901 -8.795 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.870 3.148 -8.826 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.046 4.228 -9.903 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.043 3.340 -7.727 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.341 2.711 -8.134 1.00 0.01 C ATOM 2405 C ASP A 152 -6.444 2.679 -9.660 1.00 0.00 C ATOM 2406 O ASP A 152 -5.515 3.020 -10.364 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.498 3.538 -7.572 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.531 3.397 -6.049 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -7.004 2.415 -5.554 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -8.083 4.273 -5.405 1.00 2.27 O ATOM 0 H ASP A 152 -5.010 4.355 -7.820 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.387 1.693 -7.746 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.379 4.586 -7.849 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.442 3.201 -8.000 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.569 2.260 -10.174 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.739 2.195 -11.655 1.00 0.01 C ATOM 2417 C LYS A 153 -7.830 3.610 -12.234 1.00 0.01 C ATOM 2418 O LYS A 153 -8.557 3.852 -13.177 1.00 0.01 O ATOM 2419 CB LYS A 153 -9.022 1.428 -11.989 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.154 1.890 -11.066 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.481 1.314 -11.562 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.600 1.694 -10.590 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.576 3.165 -10.355 1.00 1.84 N ATOM 0 H LYS A 153 -8.379 1.959 -9.632 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.880 1.683 -12.090 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.297 1.596 -13.030 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.858 0.357 -11.871 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.962 1.562 -10.044 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.202 2.979 -11.048 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.705 1.696 -12.558 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.410 0.229 -11.645 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -13.566 1.396 -10.997 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.473 1.162 -9.647 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.499 3.473 -9.989 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -11.835 3.394 -9.662 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.377 3.656 -11.250 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.097 4.542 -11.678 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.126 5.950 -12.188 1.00 0.01 C ATOM 2439 C LYS A 154 -5.762 6.298 -12.782 1.00 0.01 C ATOM 2440 O LYS A 154 -4.817 5.541 -12.678 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.428 6.904 -11.028 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.618 6.377 -10.225 1.00 0.48 C ATOM 2443 CD LYS A 154 -8.914 7.328 -9.064 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.159 6.848 -8.316 1.00 1.44 C ATOM 2445 NZ LYS A 154 -9.887 5.520 -7.697 1.00 2.28 N ATOM 0 H LYS A 154 -6.474 4.387 -10.885 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.897 6.047 -12.952 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.554 6.996 -10.383 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.648 7.900 -11.411 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.493 6.289 -10.868 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.400 5.379 -9.845 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.062 7.367 -8.386 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.070 8.340 -9.439 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.435 7.570 -7.547 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -11.003 6.775 -9.002 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -10.703 5.233 -7.119 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -9.727 4.815 -8.444 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -9.041 5.584 -7.095 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.650 7.447 -13.399 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.347 7.869 -14.000 1.00 0.01 C ATOM 2461 C GLU A 155 -3.722 8.933 -13.098 1.00 0.01 C ATOM 2462 O GLU A 155 -4.376 9.878 -12.704 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.601 8.454 -15.392 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.413 9.747 -15.269 1.00 0.01 C ATOM 2465 CD GLU A 155 -5.989 10.121 -16.637 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -5.255 10.684 -17.432 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -7.152 9.836 -16.865 1.00 0.01 O ATOM 0 H GLU A 155 -6.411 8.116 -13.513 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.674 7.016 -14.089 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -3.653 8.655 -15.891 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -5.139 7.733 -16.007 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -6.219 9.615 -14.547 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -4.780 10.552 -14.897 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.466 8.784 -12.747 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.813 9.786 -11.850 1.00 0.01 C ATOM 2476 C TYR A 156 -0.969 10.750 -12.679 1.00 0.01 C ATOM 2477 O TYR A 156 0.015 10.367 -13.281 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.949 9.041 -10.832 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.854 8.224 -9.943 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.252 6.942 -10.340 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.312 8.755 -8.731 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -3.108 6.192 -9.525 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.165 8.003 -7.914 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.564 6.723 -8.312 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.413 5.986 -7.511 1.00 0.01 O ATOM 0 H TYR A 156 -1.868 8.013 -13.043 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.568 10.368 -11.321 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.235 8.395 -11.342 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.371 9.748 -10.237 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.899 6.532 -11.275 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.007 9.745 -8.426 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.417 5.204 -9.832 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.515 8.411 -6.977 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.632 6.501 -6.706 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.381 11.989 -12.756 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.646 12.979 -13.597 1.00 0.01 C ATOM 2497 C ARG A 157 0.397 13.733 -12.773 1.00 0.00 C ATOM 2498 O ARG A 157 1.395 14.177 -13.305 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.651 13.983 -14.183 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.644 14.447 -13.091 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.874 13.516 -13.040 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.355 13.410 -11.633 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.543 12.931 -11.385 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -6.308 12.546 -12.370 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -5.964 12.836 -10.154 1.00 0.01 N ATOM 0 H ARG A 157 -2.198 12.359 -12.270 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.132 12.444 -14.396 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.120 14.843 -14.591 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.195 13.524 -15.008 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.147 14.455 -12.121 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -2.964 15.469 -13.294 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.666 13.906 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.613 12.529 -13.422 1.00 0.00 H new ATOM 0 HE ARG A 157 -3.756 13.712 -10.865 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -5.977 12.620 -13.332 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -7.237 12.171 -12.178 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -5.364 13.136 -9.385 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -6.893 12.462 -9.960 1.00 0.01 H new ATOM 2519 N LYS A 158 0.196 13.877 -11.484 1.00 0.01 N ATOM 2520 CA LYS A 158 1.196 14.594 -10.631 1.00 0.01 C ATOM 2521 C LYS A 158 1.632 13.636 -9.512 1.00 0.01 C ATOM 2522 O LYS A 158 0.880 12.764 -9.129 1.00 0.01 O ATOM 2523 CB LYS A 158 0.520 15.831 -10.019 1.00 0.58 C ATOM 2524 CG LYS A 158 0.511 16.973 -11.040 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.468 18.059 -10.586 1.00 1.44 C ATOM 2526 CE LYS A 158 -0.557 19.148 -11.658 1.00 2.13 C ATOM 2527 NZ LYS A 158 0.814 19.500 -12.125 1.00 2.54 N ATOM 0 H LYS A 158 -0.622 13.527 -10.985 1.00 0.01 H new ATOM 0 HA LYS A 158 2.061 14.906 -11.216 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.500 15.589 -9.720 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.051 16.140 -9.119 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.512 17.391 -11.142 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.222 16.595 -12.021 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.453 17.625 -10.411 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.137 18.490 -9.641 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -1.160 18.799 -12.496 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -1.053 20.031 -11.254 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 0.800 20.443 -12.563 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 1.466 19.504 -11.315 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 1.134 18.799 -12.823 1.00 2.54 H new ATOM 2541 N PRO A 159 2.814 13.785 -8.966 1.00 0.01 N ATOM 2542 CA PRO A 159 3.249 12.880 -7.867 1.00 0.02 C ATOM 2543 C PRO A 159 2.332 13.017 -6.642 1.00 0.01 C ATOM 2544 O PRO A 159 1.965 12.038 -6.027 1.00 0.01 O ATOM 2545 CB PRO A 159 4.682 13.370 -7.585 1.00 0.41 C ATOM 2546 CG PRO A 159 4.864 14.725 -8.295 1.00 0.70 C ATOM 2547 CD PRO A 159 3.786 14.834 -9.381 1.00 0.28 C ATOM 0 HA PRO A 159 3.206 11.821 -8.120 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.846 13.476 -6.513 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.412 12.647 -7.949 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.773 15.545 -7.583 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.859 14.795 -8.736 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.331 15.824 -9.405 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.190 14.645 -10.376 1.00 0.28 H new ATOM 2555 N VAL A 160 1.965 14.205 -6.276 1.00 0.01 N ATOM 2556 CA VAL A 160 1.082 14.368 -5.086 1.00 0.02 C ATOM 2557 C VAL A 160 -0.242 13.635 -5.329 1.00 0.02 C ATOM 2558 O VAL A 160 -0.981 13.350 -4.408 1.00 0.02 O ATOM 2559 CB VAL A 160 0.814 15.857 -4.858 1.00 0.14 C ATOM 2560 CG1 VAL A 160 0.020 16.040 -3.563 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.146 16.604 -4.746 1.00 0.74 C ATOM 0 H VAL A 160 2.234 15.071 -6.743 1.00 0.01 H new ATOM 0 HA VAL A 160 1.569 13.948 -4.206 1.00 0.02 H new ATOM 0 HB VAL A 160 0.242 16.255 -5.696 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.171 17.101 -3.400 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.928 15.508 -3.639 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.593 15.642 -2.726 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.956 17.665 -4.584 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.717 16.205 -3.908 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.714 16.474 -5.667 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.564 13.343 -6.559 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.855 12.652 -6.834 1.00 0.01 C ATOM 2573 C ASP A 161 -1.886 11.228 -6.248 1.00 0.01 C ATOM 2574 O ASP A 161 -2.950 10.673 -6.062 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.078 12.574 -8.346 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.461 11.984 -8.631 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.222 11.827 -7.690 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.737 11.701 -9.785 1.00 0.00 O ATOM 0 H ASP A 161 0.006 13.551 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.646 13.230 -6.356 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.997 13.567 -8.787 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.306 11.957 -8.806 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.747 10.635 -5.917 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.783 9.251 -5.305 1.00 0.01 C ATOM 2585 C TRP A 162 -0.581 9.341 -3.784 1.00 0.01 C ATOM 2586 O TRP A 162 -0.351 8.348 -3.123 1.00 0.01 O ATOM 2587 CB TRP A 162 0.242 8.288 -5.933 1.00 0.01 C ATOM 2588 CG TRP A 162 1.583 8.913 -6.128 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.280 9.599 -5.199 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.419 8.868 -7.319 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.490 9.993 -5.753 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.618 9.565 -7.057 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.246 8.300 -8.594 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.617 9.690 -8.024 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.246 8.425 -9.569 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.430 9.119 -9.284 1.00 0.01 C ATOM 0 H TRP A 162 0.182 11.037 -6.040 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.767 8.834 -5.518 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.345 7.410 -5.296 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.135 7.941 -6.895 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.951 9.807 -4.192 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.198 10.533 -5.256 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.337 7.764 -8.824 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.528 10.225 -7.799 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.103 7.984 -10.545 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.197 9.212 -10.039 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.731 10.512 -3.217 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.623 10.655 -1.730 1.00 0.01 C ATOM 2609 C GLY A 163 0.821 10.852 -1.251 1.00 0.01 C ATOM 2610 O GLY A 163 1.093 10.786 -0.069 1.00 0.01 O ATOM 0 H GLY A 163 -0.924 11.378 -3.720 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.226 11.504 -1.407 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.040 9.768 -1.254 1.00 0.01 H new ATOM 2614 N ALA A 164 1.750 11.083 -2.140 1.00 0.01 N ATOM 2615 CA ALA A 164 3.174 11.269 -1.706 1.00 0.02 C ATOM 2616 C ALA A 164 3.522 12.757 -1.673 1.00 0.01 C ATOM 2617 O ALA A 164 3.130 13.525 -2.527 1.00 0.02 O ATOM 2618 CB ALA A 164 4.097 10.597 -2.720 1.00 0.01 C ATOM 0 H ALA A 164 1.590 11.152 -3.145 1.00 0.01 H new ATOM 0 HA ALA A 164 3.299 10.833 -0.715 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.134 10.728 -2.411 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.866 9.533 -2.773 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.951 11.049 -3.701 1.00 0.01 H new ATOM 2624 N ALA A 165 4.269 13.161 -0.681 1.00 0.02 N ATOM 2625 CA ALA A 165 4.668 14.591 -0.567 1.00 0.01 C ATOM 2626 C ALA A 165 5.911 14.842 -1.422 1.00 0.02 C ATOM 2627 O ALA A 165 6.338 15.967 -1.590 1.00 0.01 O ATOM 2628 CB ALA A 165 4.987 14.928 0.890 1.00 0.59 C ATOM 0 H ALA A 165 4.622 12.556 0.060 1.00 0.02 H new ATOM 0 HA ALA A 165 3.847 15.219 -0.913 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.278 15.976 0.966 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.105 14.751 1.506 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.805 14.298 1.238 1.00 0.59 H new ATOM 2634 N SER A 166 6.494 13.804 -1.972 1.00 0.01 N ATOM 2635 CA SER A 166 7.710 13.977 -2.829 1.00 0.01 C ATOM 2636 C SER A 166 7.621 13.010 -4.028 1.00 0.02 C ATOM 2637 O SER A 166 7.040 11.948 -3.908 1.00 0.01 O ATOM 2638 CB SER A 166 8.956 13.647 -2.003 1.00 0.72 C ATOM 2639 OG SER A 166 8.834 14.242 -0.717 1.00 0.87 O ATOM 0 H SER A 166 6.179 12.840 -1.864 1.00 0.01 H new ATOM 0 HA SER A 166 7.770 15.004 -3.188 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.069 12.567 -1.908 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.849 14.018 -2.506 1.00 0.72 H new ATOM 0 HG SER A 166 9.629 14.033 -0.183 1.00 0.87 H new ATOM 2645 N PRO A 167 8.193 13.341 -5.173 1.00 0.02 N ATOM 2646 CA PRO A 167 8.139 12.418 -6.345 1.00 0.01 C ATOM 2647 C PRO A 167 9.083 11.221 -6.175 1.00 0.01 C ATOM 2648 O PRO A 167 9.428 10.547 -7.132 1.00 0.01 O ATOM 2649 CB PRO A 167 8.622 13.327 -7.487 1.00 0.38 C ATOM 2650 CG PRO A 167 9.399 14.488 -6.851 1.00 0.35 C ATOM 2651 CD PRO A 167 8.913 14.634 -5.400 1.00 0.22 C ATOM 0 HA PRO A 167 7.153 11.980 -6.501 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.258 12.772 -8.177 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.776 13.701 -8.064 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.471 14.291 -6.878 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.230 15.411 -7.406 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.742 14.765 -4.705 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.254 15.493 -5.276 1.00 0.22 H new ATOM 2659 N ALA A 168 9.534 10.967 -4.974 1.00 0.01 N ATOM 2660 CA ALA A 168 10.480 9.836 -4.777 1.00 0.01 C ATOM 2661 C ALA A 168 9.725 8.511 -4.666 1.00 0.01 C ATOM 2662 O ALA A 168 8.916 8.297 -3.786 1.00 0.02 O ATOM 2663 CB ALA A 168 11.279 10.064 -3.493 1.00 0.18 C ATOM 0 H ALA A 168 9.290 11.489 -4.132 1.00 0.01 H new ATOM 0 HA ALA A 168 11.149 9.789 -5.636 1.00 0.01 H new ATOM 0 HB1 ALA A 168 11.974 9.237 -3.345 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.837 10.997 -3.573 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.597 10.121 -2.645 1.00 0.18 H new ATOM 2669 N ILE A 169 10.036 7.626 -5.568 1.00 0.01 N ATOM 2670 CA ILE A 169 9.420 6.267 -5.609 1.00 0.01 C ATOM 2671 C ILE A 169 10.494 5.345 -6.199 1.00 0.01 C ATOM 2672 O ILE A 169 11.023 5.613 -7.260 1.00 0.01 O ATOM 2673 CB ILE A 169 8.154 6.325 -6.503 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.890 6.637 -5.648 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.952 4.998 -7.249 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.928 7.544 -6.431 1.00 3.99 C ATOM 0 H ILE A 169 10.718 7.794 -6.308 1.00 0.01 H new ATOM 0 HA ILE A 169 9.109 5.903 -4.630 1.00 0.01 H new ATOM 0 HB ILE A 169 8.298 7.123 -7.231 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.387 5.709 -5.378 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.183 7.123 -4.717 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.058 5.062 -7.870 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.819 4.800 -7.880 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.836 4.189 -6.528 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.049 7.754 -5.822 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.430 8.479 -6.678 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.622 7.043 -7.349 1.00 3.99 H new ATOM 2688 N GLN A 170 10.862 4.294 -5.500 1.00 0.01 N ATOM 2689 CA GLN A 170 11.953 3.393 -5.998 1.00 0.01 C ATOM 2690 C GLN A 170 11.452 2.000 -6.399 1.00 0.02 C ATOM 2691 O GLN A 170 12.178 1.274 -7.051 1.00 0.01 O ATOM 2692 CB GLN A 170 13.005 3.243 -4.897 1.00 2.62 C ATOM 2693 CG GLN A 170 13.534 4.625 -4.508 1.00 3.39 C ATOM 2694 CD GLN A 170 14.365 5.193 -5.659 1.00 4.36 C ATOM 2695 OE1 GLN A 170 13.902 6.035 -6.402 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.584 4.761 -5.839 1.00 5.17 N ATOM 0 H GLN A 170 10.453 4.022 -4.606 1.00 0.01 H new ATOM 0 HA GLN A 170 12.369 3.853 -6.894 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.570 2.750 -4.028 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.824 2.613 -5.244 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.704 5.293 -4.280 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.142 4.553 -3.606 1.00 3.39 H new ATOM 0 HE21 GLN A 170 15.972 4.054 -5.215 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.148 5.131 -6.604 1.00 5.17 H new ATOM 2705 N SER A 171 10.261 1.574 -6.056 1.00 0.01 N ATOM 2706 CA SER A 171 9.851 0.197 -6.487 1.00 0.01 C ATOM 2707 C SER A 171 8.325 0.097 -6.534 1.00 0.01 C ATOM 2708 O SER A 171 7.623 0.854 -5.895 1.00 0.01 O ATOM 2709 CB SER A 171 10.399 -0.828 -5.493 1.00 0.01 C ATOM 2710 OG SER A 171 9.895 -2.116 -5.823 1.00 0.02 O ATOM 0 H SER A 171 9.573 2.098 -5.514 1.00 0.01 H new ATOM 0 HA SER A 171 10.252 -0.003 -7.481 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.489 -0.833 -5.521 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.107 -0.560 -4.478 1.00 0.01 H new ATOM 0 HG SER A 171 9.934 -2.695 -5.033 1.00 0.02 H new ATOM 2716 N PHE A 172 7.803 -0.849 -7.275 1.00 0.01 N ATOM 2717 CA PHE A 172 6.315 -1.001 -7.341 1.00 0.01 C ATOM 2718 C PHE A 172 5.936 -2.450 -7.654 1.00 0.01 C ATOM 2719 O PHE A 172 6.704 -3.197 -8.234 1.00 0.01 O ATOM 2720 CB PHE A 172 5.722 -0.061 -8.400 1.00 1.06 C ATOM 2721 CG PHE A 172 6.346 -0.315 -9.756 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.957 -1.428 -10.512 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.302 0.574 -10.264 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.525 -1.652 -11.772 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.868 0.351 -11.525 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.480 -0.762 -12.279 1.00 1.92 C ATOM 0 H PHE A 172 8.336 -1.517 -7.832 1.00 0.01 H new ATOM 0 HA PHE A 172 5.903 -0.734 -6.368 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.643 -0.206 -8.458 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.889 0.975 -8.107 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.219 -2.114 -10.123 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.603 1.433 -9.682 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.226 -2.512 -12.353 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.604 1.038 -11.916 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.917 -0.935 -13.252 1.00 1.92 H new ATOM 2736 N ARG A 173 4.756 -2.862 -7.254 1.00 0.01 N ATOM 2737 CA ARG A 173 4.318 -4.269 -7.505 1.00 0.01 C ATOM 2738 C ARG A 173 2.822 -4.301 -7.823 1.00 0.01 C ATOM 2739 O ARG A 173 2.045 -3.514 -7.321 1.00 0.01 O ATOM 2740 CB ARG A 173 4.548 -5.108 -6.246 1.00 0.01 C ATOM 2741 CG ARG A 173 6.039 -5.217 -5.938 1.00 0.01 C ATOM 2742 CD ARG A 173 6.223 -6.091 -4.694 1.00 0.01 C ATOM 2743 NE ARG A 173 5.684 -5.379 -3.502 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.456 -6.037 -2.399 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.707 -7.317 -2.339 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.979 -5.414 -1.356 1.00 0.01 N ATOM 0 H ARG A 173 4.077 -2.281 -6.763 1.00 0.01 H new ATOM 0 HA ARG A 173 4.890 -4.667 -8.343 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.029 -4.656 -5.401 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.126 -6.103 -6.384 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.569 -5.651 -6.786 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.463 -4.227 -5.770 1.00 0.01 H new ATOM 0 HD2 ARG A 173 5.708 -7.043 -4.826 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.279 -6.317 -4.549 1.00 0.01 H new ATOM 0 HE ARG A 173 5.493 -4.378 -3.548 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.081 -7.802 -3.154 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.529 -7.832 -1.477 1.00 0.01 H new ATOM 0 HH21 ARG A 173 4.785 -4.414 -1.404 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.800 -5.927 -0.493 1.00 0.01 H new ATOM 2760 N ARG A 174 2.416 -5.233 -8.643 1.00 0.01 N ATOM 2761 CA ARG A 174 0.970 -5.358 -8.989 1.00 0.01 C ATOM 2762 C ARG A 174 0.291 -6.220 -7.922 1.00 0.01 C ATOM 2763 O ARG A 174 0.865 -7.176 -7.439 1.00 0.01 O ATOM 2764 CB ARG A 174 0.810 -6.037 -10.354 1.00 0.01 C ATOM 2765 CG ARG A 174 1.774 -7.224 -10.458 1.00 0.01 C ATOM 2766 CD ARG A 174 1.518 -7.986 -11.761 1.00 0.01 C ATOM 2767 NE ARG A 174 2.701 -8.837 -12.070 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.606 -9.789 -12.957 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.471 -10.005 -13.562 1.00 0.01 N ATOM 2770 NH2 ARG A 174 3.645 -10.526 -13.236 1.00 0.01 N ATOM 0 H ARG A 174 3.027 -5.917 -9.090 1.00 0.01 H new ATOM 0 HA ARG A 174 0.518 -4.367 -9.030 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.217 -6.378 -10.483 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.011 -5.322 -11.152 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.805 -6.871 -10.429 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.640 -7.889 -9.605 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.625 -8.604 -11.666 1.00 0.01 H new ATOM 0 HD3 ARG A 174 1.336 -7.286 -12.576 1.00 0.01 H new ATOM 0 HE ARG A 174 3.585 -8.675 -11.588 1.00 0.01 H new ATOM 0 HH11 ARG A 174 0.658 -9.430 -13.342 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.396 -10.749 -14.256 1.00 0.01 H new ATOM 0 HH21 ARG A 174 4.532 -10.358 -12.761 1.00 0.01 H new ATOM 0 HH22 ARG A 174 3.571 -11.270 -13.929 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.926 -5.907 -7.552 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.616 -6.741 -6.520 1.00 0.01 C ATOM 2786 C ILE A 175 -2.426 -7.843 -7.203 1.00 0.00 C ATOM 2787 O ILE A 175 -3.235 -7.585 -8.072 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.546 -5.872 -5.674 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.768 -4.643 -5.183 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -3.041 -6.685 -4.471 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.550 -3.908 -4.083 1.00 3.04 C ATOM 0 H ILE A 175 -1.466 -5.121 -7.914 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.864 -7.191 -5.872 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.401 -5.550 -6.268 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.795 -4.952 -4.800 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.582 -3.967 -6.018 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.705 -6.069 -3.864 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.582 -7.563 -4.823 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -2.188 -7.001 -3.870 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.981 -3.040 -3.749 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.512 -3.581 -4.477 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.713 -4.581 -3.241 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.208 -9.075 -6.812 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.956 -10.216 -7.426 1.00 0.00 C ATOM 2805 C VAL A 176 -3.382 -11.190 -6.324 1.00 0.01 C ATOM 2806 O VAL A 176 -2.686 -11.368 -5.347 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.053 -10.961 -8.409 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.709 -10.042 -9.583 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.765 -11.385 -7.700 1.00 1.89 C ATOM 0 H VAL A 176 -1.539 -9.341 -6.089 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.830 -9.828 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.572 -11.845 -8.779 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -1.065 -10.573 -10.284 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.626 -9.740 -10.089 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.191 -9.157 -9.213 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.122 -11.916 -8.401 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.246 -10.501 -7.329 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.009 -12.040 -6.864 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.515 -11.826 -6.493 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.020 -12.810 -5.482 1.00 0.01 C ATOM 2821 C GLU A 177 -6.531 -12.981 -5.687 1.00 0.01 C ATOM 2822 O GLU A 177 -6.995 -14.012 -6.130 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.709 -12.310 -4.046 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.751 -12.820 -3.037 1.00 3.19 C ATOM 2825 CD GLU A 177 -5.244 -12.580 -1.614 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -4.186 -11.986 -1.475 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -5.922 -12.992 -0.687 1.00 4.77 O ATOM 0 H GLU A 177 -5.123 -11.703 -7.303 1.00 0.01 H new ATOM 0 HA GLU A 177 -4.524 -13.772 -5.612 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -3.716 -12.648 -3.748 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -4.692 -11.220 -4.034 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -6.700 -12.306 -3.188 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -5.935 -13.883 -3.194 1.00 3.19 H new TER 2834 GLU A 177