USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 928 hydrogens (10 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 NoAdj-H: X 501 TSA HO4 : X 501 TSA O4 : X 501 TSA C11 :(short bond) USER MOD NoAdj-H: X 501 TSA HO2 : X 501 TSA O2 : X 501 TSA C10 :(short bond) USER MOD Set 1.1: X 45 LYS NZ :NH3+ -134:sc= -3.92! (180deg=0.282) USER MOD Set 1.2: X 90 ASN : amide:sc= -23.4! C(o=-37!,f=-46!) USER MOD Set 1.3: X 94 GLN : amide:sc= -9.58! C(o=-37!,f=-46!) USER MOD Set 2.1: X 17 ASN :FLIP amide:sc= -2.82! C(o=-11!,f=-5.1!) USER MOD Set 2.2: X 72 HIS : no HE2:sc= -2.33! C(o=-5.1!,f=-9!) USER MOD Set 3.1: X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: X 47 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ -166:sc= -0.215 (180deg=-0.437) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 LYS NZ :NH3+ -136:sc= -1.24! (180deg=-5.2!) USER MOD Single : X 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 35 ASN : amide:sc= -4.33! C(o=-4.3!,f=-7.3!) USER MOD Single : X 36 SER OG : rot 180:sc=5.57e-05 USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 53 ASN :FLIP amide:sc= -1.82 F(o=-4!,f=-1.8) USER MOD Single : X 59 LYS NZ :NH3+ 155:sc= -0.076 (180deg=-0.679) USER MOD Single : X 60 TYR OH : rot 180:sc= 0 USER MOD Single : X 62 TYR OH : rot 180:sc= -0.0133 USER MOD Single : X 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 CYS SG : rot 66:sc= -2.72! USER MOD Single : X 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 73 ASN :FLIP amide:sc= -0.0801 F(o=-1,f=-0.08) USER MOD Single : X 77 ASN : amide:sc= -0.911 X(o=-0.91,f=-0.95) USER MOD Single : X 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 84 GLN : amide:sc= -5.77! C(o=-5.8!,f=-6.2!) USER MOD Single : X 89 HIS : no HD1:sc= -9.21! C(o=-9.2!,f=-13!) USER MOD Single : X 91 LYS NZ :NH3+ 164:sc= -4 (180deg=-5.23!) USER MOD Single : X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.23) USER MOD Single : X 97 TYR OH : rot 180:sc= 0 USER MOD Single : X 101 THR OG1 : rot 26:sc= 0.449 USER MOD Single : X 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 501 TSA O5 : rot 25:sc= 1.5 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -10.070 -18.690 4.197 1.00 5.23 N ATOM 2 CA MET X 1 -8.988 -17.708 4.490 1.00 13.21 C ATOM 3 C MET X 1 -8.754 -16.839 3.251 1.00 1.52 C ATOM 4 O MET X 1 -8.061 -15.842 3.301 1.00 71.25 O ATOM 5 CB MET X 1 -7.700 -18.460 4.845 1.00 34.01 C ATOM 6 CG MET X 1 -7.866 -19.174 6.195 1.00 33.13 C ATOM 7 SD MET X 1 -6.334 -20.047 6.611 1.00 63.13 S ATOM 8 CE MET X 1 -6.972 -20.998 8.013 1.00 62.43 C ATOM 0 H1 MET X 1 -10.400 -19.119 5.085 1.00 5.23 H new ATOM 0 H2 MET X 1 -10.863 -18.204 3.732 1.00 5.23 H new ATOM 0 H3 MET X 1 -9.703 -19.433 3.569 1.00 5.23 H new ATOM 0 HA MET X 1 -9.278 -17.077 5.330 1.00 13.21 H new ATOM 0 HB2 MET X 1 -7.466 -19.186 4.066 1.00 34.01 H new ATOM 0 HB3 MET X 1 -6.863 -17.763 4.893 1.00 34.01 H new ATOM 0 HG2 MET X 1 -8.107 -18.450 6.974 1.00 33.13 H new ATOM 0 HG3 MET X 1 -8.696 -19.878 6.146 1.00 33.13 H new ATOM 0 HE1 MET X 1 -6.175 -21.616 8.426 1.00 62.43 H new ATOM 0 HE2 MET X 1 -7.336 -20.315 8.780 1.00 62.43 H new ATOM 0 HE3 MET X 1 -7.790 -21.636 7.678 1.00 62.43 H new ATOM 20 N ILE X 2 -9.333 -17.209 2.141 1.00 52.44 N ATOM 21 CA ILE X 2 -9.154 -16.404 0.897 1.00 43.30 C ATOM 22 C ILE X 2 -10.360 -15.473 0.718 1.00 61.41 C ATOM 23 O ILE X 2 -11.488 -15.914 0.623 1.00 51.22 O ATOM 24 CB ILE X 2 -9.050 -17.347 -0.306 1.00 13.45 C ATOM 25 CG1 ILE X 2 -7.820 -18.247 -0.141 1.00 22.45 C ATOM 26 CG2 ILE X 2 -8.915 -16.530 -1.591 1.00 4.24 C ATOM 27 CD1 ILE X 2 -7.846 -19.353 -1.199 1.00 43.01 C ATOM 0 H ILE X 2 -9.923 -18.035 2.041 1.00 52.44 H new ATOM 0 HA ILE X 2 -8.244 -15.809 0.971 1.00 43.30 H new ATOM 0 HB ILE X 2 -9.948 -17.962 -0.363 1.00 13.45 H new ATOM 0 HG12 ILE X 2 -6.909 -17.657 -0.240 1.00 22.45 H new ATOM 0 HG13 ILE X 2 -7.809 -18.685 0.857 1.00 22.45 H new ATOM 0 HG21 ILE X 2 -8.841 -17.204 -2.445 1.00 4.24 H new ATOM 0 HG22 ILE X 2 -9.789 -15.890 -1.709 1.00 4.24 H new ATOM 0 HG23 ILE X 2 -8.018 -15.913 -1.537 1.00 4.24 H new ATOM 0 HD11 ILE X 2 -6.971 -19.991 -1.080 1.00 43.01 H new ATOM 0 HD12 ILE X 2 -8.750 -19.950 -1.079 1.00 43.01 H new ATOM 0 HD13 ILE X 2 -7.836 -18.906 -2.193 1.00 43.01 H new ATOM 39 N GLU X 3 -10.128 -14.187 0.668 1.00 4.02 N ATOM 40 CA GLU X 3 -11.257 -13.222 0.500 1.00 64.43 C ATOM 41 C GLU X 3 -10.887 -12.181 -0.561 1.00 44.52 C ATOM 42 O GLU X 3 -9.727 -11.947 -0.838 1.00 45.41 O ATOM 43 CB GLU X 3 -11.521 -12.516 1.833 1.00 74.44 C ATOM 44 CG GLU X 3 -11.770 -13.552 2.931 1.00 61.30 C ATOM 45 CD GLU X 3 -13.039 -14.343 2.614 1.00 44.21 C ATOM 46 OE1 GLU X 3 -13.834 -13.861 1.826 1.00 5.25 O ATOM 47 OE2 GLU X 3 -13.195 -15.420 3.166 1.00 32.24 O ATOM 0 H GLU X 3 -9.203 -13.762 0.736 1.00 4.02 H new ATOM 0 HA GLU X 3 -12.152 -13.759 0.185 1.00 64.43 H new ATOM 0 HB2 GLU X 3 -10.669 -11.890 2.098 1.00 74.44 H new ATOM 0 HB3 GLU X 3 -12.384 -11.857 1.741 1.00 74.44 H new ATOM 0 HG2 GLU X 3 -10.918 -14.228 3.007 1.00 61.30 H new ATOM 0 HG3 GLU X 3 -11.871 -13.056 3.896 1.00 61.30 H new ATOM 54 N LYS X 4 -11.867 -11.556 -1.155 1.00 52.15 N ATOM 55 CA LYS X 4 -11.587 -10.521 -2.194 1.00 51.42 C ATOM 56 C LYS X 4 -10.707 -9.411 -1.597 1.00 14.52 C ATOM 57 O LYS X 4 -9.747 -8.975 -2.199 1.00 43.43 O ATOM 58 CB LYS X 4 -12.916 -9.926 -2.680 1.00 63.21 C ATOM 59 CG LYS X 4 -13.715 -10.994 -3.437 1.00 64.34 C ATOM 60 CD LYS X 4 -14.960 -10.355 -4.068 1.00 64.45 C ATOM 61 CE LYS X 4 -16.009 -10.084 -2.984 1.00 62.12 C ATOM 62 NZ LYS X 4 -17.310 -9.732 -3.624 1.00 55.51 N ATOM 0 H LYS X 4 -12.856 -11.718 -0.965 1.00 52.15 H new ATOM 0 HA LYS X 4 -11.061 -10.976 -3.033 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -13.493 -9.560 -1.831 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.727 -9.071 -3.329 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -13.095 -11.447 -4.210 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -14.009 -11.793 -2.756 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -14.690 -9.424 -4.566 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -15.373 -11.016 -4.830 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -16.129 -10.964 -2.352 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -15.678 -9.271 -2.338 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -18.021 -9.548 -2.887 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -17.190 -8.881 -4.209 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -17.627 -10.521 -4.222 1.00 55.51 H new ATOM 76 N LEU X 5 -11.035 -8.953 -0.418 1.00 23.41 N ATOM 77 CA LEU X 5 -10.210 -7.904 0.255 1.00 62.04 C ATOM 78 C LEU X 5 -8.867 -8.501 0.683 1.00 43.34 C ATOM 79 O LEU X 5 -7.877 -7.811 0.810 1.00 44.02 O ATOM 80 CB LEU X 5 -10.973 -7.410 1.489 1.00 62.32 C ATOM 81 CG LEU X 5 -10.227 -6.254 2.166 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.246 -5.225 2.662 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.435 -6.787 3.363 1.00 34.41 C ATOM 0 H LEU X 5 -11.848 -9.264 0.114 1.00 23.41 H new ATOM 0 HA LEU X 5 -10.024 -7.075 -0.428 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.971 -7.083 1.198 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -11.100 -8.230 2.196 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.545 -5.792 1.452 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -10.724 -4.399 3.145 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.821 -4.846 1.817 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.920 -5.696 3.378 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.905 -5.965 3.844 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -10.119 -7.245 4.077 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.716 -7.532 3.021 1.00 34.41 H new ATOM 95 N ALA X 6 -8.836 -9.784 0.915 1.00 2.22 N ATOM 96 CA ALA X 6 -7.570 -10.446 1.348 1.00 51.22 C ATOM 97 C ALA X 6 -6.577 -10.530 0.182 1.00 72.23 C ATOM 98 O ALA X 6 -5.495 -9.984 0.239 1.00 52.14 O ATOM 99 CB ALA X 6 -7.886 -11.859 1.839 1.00 71.23 C ATOM 0 H ALA X 6 -9.638 -10.408 0.823 1.00 2.22 H new ATOM 0 HA ALA X 6 -7.122 -9.858 2.149 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.965 -12.348 2.157 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.578 -11.806 2.680 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -8.341 -12.432 1.031 1.00 71.23 H new ATOM 105 N GLU X 7 -6.928 -11.225 -0.867 1.00 41.10 N ATOM 106 CA GLU X 7 -5.990 -11.356 -2.020 1.00 41.35 C ATOM 107 C GLU X 7 -5.571 -9.968 -2.513 1.00 43.42 C ATOM 108 O GLU X 7 -4.447 -9.758 -2.924 1.00 11.00 O ATOM 109 CB GLU X 7 -6.682 -12.109 -3.158 1.00 33.42 C ATOM 110 CG GLU X 7 -6.974 -13.548 -2.722 1.00 64.12 C ATOM 111 CD GLU X 7 -5.659 -14.304 -2.531 1.00 4.53 C ATOM 112 OE1 GLU X 7 -4.657 -13.856 -3.062 1.00 73.02 O ATOM 113 OE2 GLU X 7 -5.675 -15.320 -1.856 1.00 54.31 O ATOM 0 H GLU X 7 -7.821 -11.706 -0.975 1.00 41.10 H new ATOM 0 HA GLU X 7 -5.105 -11.906 -1.699 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.610 -11.605 -3.429 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -6.049 -12.109 -4.045 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -7.543 -13.548 -1.793 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.587 -14.048 -3.472 1.00 64.12 H new ATOM 120 N ILE X 8 -6.468 -9.019 -2.484 1.00 32.53 N ATOM 121 CA ILE X 8 -6.124 -7.647 -2.961 1.00 75.11 C ATOM 122 C ILE X 8 -5.039 -7.040 -2.063 1.00 54.43 C ATOM 123 O ILE X 8 -4.072 -6.474 -2.537 1.00 24.33 O ATOM 124 CB ILE X 8 -7.368 -6.763 -2.904 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.350 -7.181 -4.002 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.963 -5.304 -3.108 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.703 -6.504 -3.765 1.00 75.31 C ATOM 0 H ILE X 8 -7.425 -9.134 -2.150 1.00 32.53 H new ATOM 0 HA ILE X 8 -5.757 -7.707 -3.986 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.848 -6.876 -1.932 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -7.958 -6.901 -4.980 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.469 -8.264 -4.004 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.850 -4.671 -3.068 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -6.268 -5.006 -2.323 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.482 -5.192 -4.080 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.401 -6.802 -4.547 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -10.096 -6.806 -2.794 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.577 -5.422 -3.785 1.00 75.31 H new ATOM 139 N ARG X 9 -5.193 -7.149 -0.770 1.00 10.22 N ATOM 140 CA ARG X 9 -4.166 -6.589 0.154 1.00 52.14 C ATOM 141 C ARG X 9 -2.845 -7.353 -0.035 1.00 22.52 C ATOM 142 O ARG X 9 -1.772 -6.824 0.192 1.00 14.14 O ATOM 143 CB ARG X 9 -4.665 -6.718 1.599 1.00 14.43 C ATOM 144 CG ARG X 9 -5.234 -5.368 2.066 1.00 41.23 C ATOM 145 CD ARG X 9 -6.675 -5.224 1.577 1.00 21.02 C ATOM 146 NE ARG X 9 -7.179 -3.839 1.859 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.217 -3.401 3.092 1.00 73.25 C ATOM 148 NH1 ARG X 9 -6.977 -4.221 4.080 1.00 14.21 N ATOM 149 NH2 ARG X 9 -7.571 -2.167 3.344 1.00 51.23 N ATOM 0 H ARG X 9 -5.986 -7.602 -0.315 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.995 -5.535 -0.065 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -5.432 -7.490 1.663 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.848 -7.026 2.251 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.200 -5.304 3.154 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -4.624 -4.551 1.679 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -6.726 -5.427 0.507 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -7.310 -5.958 2.072 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.491 -3.241 1.093 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.761 -5.199 3.890 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -7.006 -3.883 5.042 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -7.819 -1.541 2.578 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -7.599 -1.831 4.307 1.00 51.23 H new ATOM 163 N LYS X 10 -2.912 -8.584 -0.470 1.00 74.42 N ATOM 164 CA LYS X 10 -1.665 -9.362 -0.720 1.00 44.25 C ATOM 165 C LYS X 10 -0.933 -8.722 -1.904 1.00 60.44 C ATOM 166 O LYS X 10 0.283 -8.686 -1.951 1.00 43.15 O ATOM 167 CB LYS X 10 -2.027 -10.820 -1.045 1.00 52.12 C ATOM 168 CG LYS X 10 -0.796 -11.719 -0.853 1.00 52.31 C ATOM 169 CD LYS X 10 -0.712 -12.168 0.610 1.00 63.24 C ATOM 170 CE LYS X 10 -1.577 -13.415 0.817 1.00 55.55 C ATOM 171 NZ LYS X 10 -0.787 -14.634 0.473 1.00 1.32 N ATOM 0 H LYS X 10 -3.780 -9.084 -0.663 1.00 74.42 H new ATOM 0 HA LYS X 10 -1.024 -9.352 0.161 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.838 -11.156 -0.398 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -2.386 -10.895 -2.071 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -0.862 -12.588 -1.508 1.00 52.31 H new ATOM 0 HG3 LYS X 10 0.109 -11.178 -1.131 1.00 52.31 H new ATOM 0 HD2 LYS X 10 0.323 -12.383 0.876 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -1.050 -11.366 1.267 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -1.915 -13.468 1.852 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -2.469 -13.359 0.193 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -1.375 -15.480 0.614 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -0.486 -14.583 -0.521 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 0.051 -14.689 1.086 1.00 1.32 H new ATOM 185 N LYS X 11 -1.669 -8.198 -2.853 1.00 31.31 N ATOM 186 CA LYS X 11 -1.022 -7.522 -4.016 1.00 5.35 C ATOM 187 C LYS X 11 -0.190 -6.356 -3.483 1.00 41.13 C ATOM 188 O LYS X 11 0.938 -6.145 -3.884 1.00 14.40 O ATOM 189 CB LYS X 11 -2.096 -6.993 -4.983 1.00 45.03 C ATOM 190 CG LYS X 11 -2.958 -8.153 -5.498 1.00 21.24 C ATOM 191 CD LYS X 11 -3.667 -7.737 -6.793 1.00 30.51 C ATOM 192 CE LYS X 11 -2.756 -8.018 -7.992 1.00 11.34 C ATOM 193 NZ LYS X 11 -2.926 -9.436 -8.426 1.00 34.04 N ATOM 0 H LYS X 11 -2.689 -8.210 -2.871 1.00 31.31 H new ATOM 0 HA LYS X 11 -0.389 -8.227 -4.555 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.724 -6.260 -4.476 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.622 -6.482 -5.821 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.335 -9.029 -5.679 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.693 -8.435 -4.744 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -4.603 -8.285 -6.899 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -3.920 -6.677 -6.756 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -3.000 -7.344 -8.813 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -1.716 -7.831 -7.724 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -2.307 -9.626 -9.240 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -2.673 -10.072 -7.643 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -3.916 -9.599 -8.698 1.00 34.04 H new ATOM 207 N ILE X 12 -0.740 -5.603 -2.566 1.00 43.21 N ATOM 208 CA ILE X 12 0.017 -4.462 -1.975 1.00 73.24 C ATOM 209 C ILE X 12 1.330 -4.996 -1.405 1.00 14.44 C ATOM 210 O ILE X 12 2.364 -4.362 -1.484 1.00 50.33 O ATOM 211 CB ILE X 12 -0.809 -3.825 -0.850 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.823 -2.834 -1.436 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.121 -3.082 0.110 1.00 70.11 C ATOM 214 CD1 ILE X 12 -2.765 -3.561 -2.394 1.00 24.34 C ATOM 0 H ILE X 12 -1.684 -5.730 -2.201 1.00 43.21 H new ATOM 0 HA ILE X 12 0.218 -3.710 -2.738 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.342 -4.611 -0.315 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.395 -2.368 -0.634 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -1.301 -2.034 -1.962 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.467 -2.630 0.909 1.00 70.11 H new ATOM 0 HG22 ILE X 12 0.837 -3.783 0.539 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.656 -2.303 -0.432 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -3.483 -2.852 -2.807 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -2.188 -4.006 -3.204 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -3.298 -4.345 -1.855 1.00 24.34 H new ATOM 226 N ASP X 13 1.290 -6.172 -0.837 1.00 63.41 N ATOM 227 CA ASP X 13 2.528 -6.784 -0.278 1.00 21.14 C ATOM 228 C ASP X 13 3.600 -6.821 -1.369 1.00 62.13 C ATOM 229 O ASP X 13 4.751 -6.508 -1.135 1.00 30.12 O ATOM 230 CB ASP X 13 2.215 -8.210 0.195 1.00 60.11 C ATOM 231 CG ASP X 13 3.345 -8.722 1.092 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.986 -7.902 1.727 1.00 21.15 O ATOM 233 OD2 ASP X 13 3.551 -9.924 1.124 1.00 24.30 O ATOM 0 H ASP X 13 0.447 -6.737 -0.736 1.00 63.41 H new ATOM 0 HA ASP X 13 2.890 -6.197 0.566 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.272 -8.222 0.741 1.00 60.11 H new ATOM 0 HB3 ASP X 13 2.094 -8.869 -0.665 1.00 60.11 H new ATOM 238 N GLU X 14 3.225 -7.191 -2.565 1.00 22.41 N ATOM 239 CA GLU X 14 4.208 -7.213 -3.684 1.00 31.43 C ATOM 240 C GLU X 14 4.627 -5.778 -4.004 1.00 42.01 C ATOM 241 O GLU X 14 5.764 -5.507 -4.336 1.00 74.03 O ATOM 242 CB GLU X 14 3.561 -7.843 -4.923 1.00 74.51 C ATOM 243 CG GLU X 14 3.321 -9.337 -4.684 1.00 71.42 C ATOM 244 CD GLU X 14 2.615 -9.939 -5.902 1.00 4.10 C ATOM 245 OE1 GLU X 14 2.408 -9.213 -6.860 1.00 40.13 O ATOM 246 OE2 GLU X 14 2.295 -11.115 -5.856 1.00 4.10 O ATOM 0 H GLU X 14 2.279 -7.479 -2.814 1.00 22.41 H new ATOM 0 HA GLU X 14 5.081 -7.799 -3.396 1.00 31.43 H new ATOM 0 HB2 GLU X 14 2.617 -7.345 -5.144 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.205 -7.704 -5.791 1.00 74.51 H new ATOM 0 HG2 GLU X 14 4.269 -9.846 -4.511 1.00 71.42 H new ATOM 0 HG3 GLU X 14 2.714 -9.481 -3.790 1.00 71.42 H new ATOM 253 N ILE X 15 3.707 -4.851 -3.902 1.00 42.15 N ATOM 254 CA ILE X 15 4.042 -3.421 -4.179 1.00 70.32 C ATOM 255 C ILE X 15 4.898 -2.872 -3.035 1.00 52.54 C ATOM 256 O ILE X 15 5.863 -2.161 -3.250 1.00 64.24 O ATOM 257 CB ILE X 15 2.754 -2.595 -4.277 1.00 11.41 C ATOM 258 CG1 ILE X 15 1.744 -3.302 -5.188 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.080 -1.220 -4.857 1.00 32.34 C ATOM 260 CD1 ILE X 15 2.448 -3.764 -6.470 1.00 64.11 C ATOM 0 H ILE X 15 2.737 -5.024 -3.638 1.00 42.15 H new ATOM 0 HA ILE X 15 4.589 -3.357 -5.120 1.00 70.32 H new ATOM 0 HB ILE X 15 2.323 -2.486 -3.282 1.00 11.41 H new ATOM 0 HG12 ILE X 15 1.308 -4.157 -4.671 1.00 53.34 H new ATOM 0 HG13 ILE X 15 0.924 -2.627 -5.434 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.167 -0.629 -4.928 1.00 32.34 H new ATOM 0 HG22 ILE X 15 3.792 -0.711 -4.207 1.00 32.34 H new ATOM 0 HG23 ILE X 15 3.515 -1.338 -5.850 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.730 -4.267 -7.118 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.863 -2.900 -6.989 1.00 64.11 H new ATOM 0 HD13 ILE X 15 3.252 -4.454 -6.215 1.00 64.11 H new ATOM 272 N ASP X 16 4.549 -3.196 -1.820 1.00 1.41 N ATOM 273 CA ASP X 16 5.324 -2.694 -0.651 1.00 14.24 C ATOM 274 C ASP X 16 6.780 -3.156 -0.767 1.00 21.12 C ATOM 275 O ASP X 16 7.703 -2.379 -0.619 1.00 55.21 O ATOM 276 CB ASP X 16 4.695 -3.244 0.635 1.00 11.34 C ATOM 277 CG ASP X 16 3.364 -2.539 0.909 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.066 -1.592 0.205 1.00 21.51 O ATOM 279 OD2 ASP X 16 2.670 -2.959 1.820 1.00 52.11 O ATOM 0 H ASP X 16 3.754 -3.791 -1.586 1.00 1.41 H new ATOM 0 HA ASP X 16 5.302 -1.604 -0.627 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.535 -4.318 0.541 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.374 -3.096 1.474 1.00 11.34 H new ATOM 284 N ASN X 17 6.993 -4.417 -1.020 1.00 11.55 N ATOM 285 CA ASN X 17 8.385 -4.926 -1.185 1.00 31.14 C ATOM 286 C ASN X 17 9.013 -4.306 -2.436 1.00 52.35 C ATOM 287 O ASN X 17 10.192 -4.017 -2.474 1.00 32.13 O ATOM 288 CB ASN X 17 8.351 -6.445 -1.341 1.00 44.11 C ATOM 289 CG ASN X 17 9.775 -6.974 -1.536 1.00 61.33 C ATOM 290 OD1 ASN X 17 10.788 -6.223 -1.188 1.00 45.44 O flip ATOM 291 ND2 ASN X 17 9.971 -8.080 -2.002 1.00 64.33 N flip ATOM 0 H ASN X 17 6.261 -5.120 -1.120 1.00 11.55 H new ATOM 0 HA ASN X 17 8.976 -4.657 -0.309 1.00 31.14 H new ATOM 0 HB2 ASN X 17 7.900 -6.901 -0.459 1.00 44.11 H new ATOM 0 HB3 ASN X 17 7.730 -6.719 -2.194 1.00 44.11 H new ATOM 0 HD21 ASN X 17 9.182 -8.666 -2.274 1.00 64.33 H new ATOM 0 HD22 ASN X 17 10.925 -8.421 -2.121 1.00 64.33 H new ATOM 298 N LYS X 18 8.230 -4.121 -3.466 1.00 1.21 N ATOM 299 CA LYS X 18 8.769 -3.555 -4.742 1.00 54.12 C ATOM 300 C LYS X 18 9.348 -2.154 -4.499 1.00 65.11 C ATOM 301 O LYS X 18 10.396 -1.813 -5.010 1.00 30.41 O ATOM 302 CB LYS X 18 7.629 -3.471 -5.767 1.00 42.22 C ATOM 303 CG LYS X 18 8.173 -3.064 -7.141 1.00 44.32 C ATOM 304 CD LYS X 18 7.011 -2.975 -8.138 1.00 51.33 C ATOM 305 CE LYS X 18 6.576 -4.382 -8.562 1.00 41.30 C ATOM 306 NZ LYS X 18 5.687 -4.290 -9.758 1.00 22.15 N ATOM 0 H LYS X 18 7.234 -4.339 -3.480 1.00 1.21 H new ATOM 0 HA LYS X 18 9.563 -4.200 -5.118 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.125 -4.435 -5.840 1.00 42.22 H new ATOM 0 HB3 LYS X 18 6.885 -2.747 -5.434 1.00 42.22 H new ATOM 0 HG2 LYS X 18 8.684 -2.104 -7.073 1.00 44.32 H new ATOM 0 HG3 LYS X 18 8.908 -3.792 -7.485 1.00 44.32 H new ATOM 0 HD2 LYS X 18 6.172 -2.447 -7.685 1.00 51.33 H new ATOM 0 HD3 LYS X 18 7.315 -2.400 -9.013 1.00 51.33 H new ATOM 0 HE2 LYS X 18 7.451 -4.991 -8.792 1.00 41.30 H new ATOM 0 HE3 LYS X 18 6.052 -4.874 -7.743 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 5.392 -5.245 -10.046 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 4.847 -3.724 -9.523 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 6.202 -3.837 -10.540 1.00 22.15 H new ATOM 320 N ILE X 19 8.675 -1.336 -3.733 1.00 64.10 N ATOM 321 CA ILE X 19 9.202 0.035 -3.463 1.00 23.24 C ATOM 322 C ILE X 19 10.383 -0.038 -2.488 1.00 73.11 C ATOM 323 O ILE X 19 11.234 0.829 -2.469 1.00 40.50 O ATOM 324 CB ILE X 19 8.089 0.898 -2.869 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.649 2.283 -2.516 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.529 0.225 -1.614 1.00 73.03 C ATOM 327 CD1 ILE X 19 9.004 2.343 -1.029 1.00 44.32 C ATOM 0 H ILE X 19 7.786 -1.557 -3.284 1.00 64.10 H new ATOM 0 HA ILE X 19 9.546 0.479 -4.397 1.00 23.24 H new ATOM 0 HB ILE X 19 7.287 1.011 -3.599 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.534 2.490 -3.118 1.00 71.33 H new ATOM 0 HG13 ILE X 19 7.914 3.052 -2.754 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.736 0.843 -1.193 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.127 -0.754 -1.875 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.325 0.106 -0.879 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.400 3.330 -0.789 1.00 44.32 H new ATOM 0 HD12 ILE X 19 8.110 2.156 -0.434 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.755 1.586 -0.803 1.00 44.32 H new ATOM 339 N LEU X 20 10.450 -1.065 -1.687 1.00 24.32 N ATOM 340 CA LEU X 20 11.590 -1.192 -0.735 1.00 24.32 C ATOM 341 C LEU X 20 12.816 -1.717 -1.493 1.00 3.21 C ATOM 342 O LEU X 20 13.922 -1.704 -0.989 1.00 52.12 O ATOM 343 CB LEU X 20 11.231 -2.183 0.379 1.00 61.32 C ATOM 344 CG LEU X 20 10.185 -1.577 1.320 1.00 52.11 C ATOM 345 CD1 LEU X 20 9.735 -2.645 2.320 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.790 -0.397 2.088 1.00 1.53 C ATOM 0 H LEU X 20 9.766 -1.821 -1.650 1.00 24.32 H new ATOM 0 HA LEU X 20 11.805 -0.218 -0.297 1.00 24.32 H new ATOM 0 HB2 LEU X 20 10.846 -3.105 -0.057 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.126 -2.446 0.942 1.00 61.32 H new ATOM 0 HG LEU X 20 9.335 -1.226 0.734 1.00 52.11 H new ATOM 0 HD11 LEU X 20 8.990 -2.222 2.994 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.300 -3.487 1.782 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.594 -2.988 2.897 1.00 42.33 H new ATOM 0 HD21 LEU X 20 10.039 0.027 2.754 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.641 -0.743 2.674 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.121 0.365 1.382 1.00 1.53 H new ATOM 358 N LYS X 21 12.626 -2.183 -2.702 1.00 51.41 N ATOM 359 CA LYS X 21 13.778 -2.711 -3.492 1.00 23.32 C ATOM 360 C LYS X 21 14.870 -1.643 -3.575 1.00 41.24 C ATOM 361 O LYS X 21 14.825 -0.640 -2.890 1.00 12.12 O ATOM 362 CB LYS X 21 13.308 -3.074 -4.906 1.00 1.20 C ATOM 363 CG LYS X 21 13.128 -1.799 -5.742 1.00 45.32 C ATOM 364 CD LYS X 21 12.450 -2.144 -7.071 1.00 53.01 C ATOM 365 CE LYS X 21 12.253 -0.868 -7.896 1.00 14.11 C ATOM 366 NZ LYS X 21 11.251 0.011 -7.231 1.00 3.33 N ATOM 0 H LYS X 21 11.723 -2.220 -3.175 1.00 51.41 H new ATOM 0 HA LYS X 21 14.175 -3.601 -3.004 1.00 23.32 H new ATOM 0 HB2 LYS X 21 14.035 -3.732 -5.382 1.00 1.20 H new ATOM 0 HB3 LYS X 21 12.367 -3.622 -4.856 1.00 1.20 H new ATOM 0 HG2 LYS X 21 12.526 -1.075 -5.193 1.00 45.32 H new ATOM 0 HG3 LYS X 21 14.096 -1.334 -5.927 1.00 45.32 H new ATOM 0 HD2 LYS X 21 13.059 -2.858 -7.626 1.00 53.01 H new ATOM 0 HD3 LYS X 21 11.488 -2.622 -6.886 1.00 53.01 H new ATOM 0 HE2 LYS X 21 13.201 -0.341 -8.000 1.00 14.11 H new ATOM 0 HE3 LYS X 21 11.918 -1.122 -8.902 1.00 14.11 H new ATOM 0 HZ1 LYS X 21 10.592 0.387 -7.943 1.00 3.33 H new ATOM 0 HZ2 LYS X 21 10.721 -0.539 -6.525 1.00 3.33 H new ATOM 0 HZ3 LYS X 21 11.739 0.800 -6.760 1.00 3.33 H new ATOM 380 N ALA X 22 15.858 -1.851 -4.402 1.00 31.54 N ATOM 381 CA ALA X 22 16.958 -0.850 -4.520 1.00 64.32 C ATOM 382 C ALA X 22 16.401 0.495 -4.999 1.00 54.30 C ATOM 383 O ALA X 22 16.332 0.764 -6.181 1.00 74.30 O ATOM 384 CB ALA X 22 18.003 -1.364 -5.515 1.00 53.22 C ATOM 0 H ALA X 22 15.952 -2.671 -5.002 1.00 31.54 H new ATOM 0 HA ALA X 22 17.421 -0.707 -3.543 1.00 64.32 H new ATOM 0 HB1 ALA X 22 18.809 -0.636 -5.605 1.00 53.22 H new ATOM 0 HB2 ALA X 22 18.408 -2.312 -5.160 1.00 53.22 H new ATOM 0 HB3 ALA X 22 17.537 -1.511 -6.489 1.00 53.22 H new ATOM 390 N ARG X 23 16.005 1.343 -4.088 1.00 53.34 N ATOM 391 CA ARG X 23 15.475 2.681 -4.487 1.00 5.01 C ATOM 392 C ARG X 23 16.621 3.554 -5.021 1.00 70.42 C ATOM 393 O ARG X 23 16.436 4.364 -5.907 1.00 73.32 O ATOM 394 CB ARG X 23 14.819 3.357 -3.269 1.00 23.53 C ATOM 395 CG ARG X 23 13.506 2.636 -2.913 1.00 11.32 C ATOM 396 CD ARG X 23 12.844 3.309 -1.691 1.00 32.35 C ATOM 397 NE ARG X 23 13.672 3.054 -0.470 1.00 24.14 N ATOM 398 CZ ARG X 23 13.464 3.739 0.632 1.00 23.13 C ATOM 399 NH1 ARG X 23 12.542 4.658 0.664 1.00 3.14 N ATOM 400 NH2 ARG X 23 14.187 3.510 1.701 1.00 50.41 N ATOM 0 H ARG X 23 16.025 1.168 -3.083 1.00 53.34 H new ATOM 0 HA ARG X 23 14.729 2.558 -5.272 1.00 5.01 H new ATOM 0 HB2 ARG X 23 15.500 3.332 -2.418 1.00 23.53 H new ATOM 0 HB3 ARG X 23 14.620 4.406 -3.488 1.00 23.53 H new ATOM 0 HG2 ARG X 23 12.826 2.661 -3.764 1.00 11.32 H new ATOM 0 HG3 ARG X 23 13.706 1.587 -2.696 1.00 11.32 H new ATOM 0 HD2 ARG X 23 12.748 4.381 -1.861 1.00 32.35 H new ATOM 0 HD3 ARG X 23 11.837 2.918 -1.548 1.00 32.35 H new ATOM 0 HE ARG X 23 14.403 2.343 -0.494 1.00 24.14 H new ATOM 0 HH11 ARG X 23 11.981 4.846 -0.167 1.00 3.14 H new ATOM 0 HH12 ARG X 23 12.381 5.189 1.520 1.00 3.14 H new ATOM 0 HH21 ARG X 23 14.916 2.797 1.681 1.00 50.41 H new ATOM 0 HH22 ARG X 23 14.021 4.045 2.553 1.00 50.41 H new ATOM 414 N TRP X 24 17.804 3.395 -4.481 1.00 72.12 N ATOM 415 CA TRP X 24 18.962 4.218 -4.945 1.00 10.13 C ATOM 416 C TRP X 24 18.747 4.635 -6.402 1.00 14.10 C ATOM 417 O TRP X 24 18.672 5.809 -6.707 1.00 12.03 O ATOM 418 CB TRP X 24 20.253 3.401 -4.837 1.00 63.50 C ATOM 419 CG TRP X 24 21.045 3.825 -3.635 1.00 41.34 C ATOM 420 CD1 TRP X 24 21.492 5.081 -3.393 1.00 24.24 C ATOM 421 CD2 TRP X 24 21.469 3.016 -2.500 1.00 45.10 C ATOM 422 NE1 TRP X 24 22.164 5.090 -2.182 1.00 2.31 N ATOM 423 CE2 TRP X 24 22.180 3.839 -1.596 1.00 12.53 C ATOM 424 CE3 TRP X 24 21.313 1.656 -2.176 1.00 42.32 C ATOM 425 CZ2 TRP X 24 22.707 3.334 -0.405 1.00 1.00 C ATOM 426 CZ3 TRP X 24 21.844 1.143 -0.981 1.00 41.52 C ATOM 427 CH2 TRP X 24 22.541 1.980 -0.098 1.00 63.21 C ATOM 0 H TRP X 24 18.017 2.730 -3.738 1.00 72.12 H new ATOM 0 HA TRP X 24 19.041 5.107 -4.320 1.00 10.13 H new ATOM 0 HB2 TRP X 24 20.014 2.340 -4.766 1.00 63.50 H new ATOM 0 HB3 TRP X 24 20.851 3.534 -5.739 1.00 63.50 H new ATOM 0 HD1 TRP X 24 21.348 5.935 -4.038 1.00 24.24 H new ATOM 0 HE1 TRP X 24 22.595 5.919 -1.773 1.00 2.31 H new ATOM 0 HE3 TRP X 24 20.781 1.002 -2.851 1.00 42.32 H new ATOM 0 HZ2 TRP X 24 23.239 3.985 0.274 1.00 1.00 H new ATOM 0 HZ3 TRP X 24 21.715 0.098 -0.741 1.00 41.52 H new ATOM 0 HH2 TRP X 24 22.949 1.579 0.818 1.00 63.21 H new ATOM 438 N PRO X 25 18.673 3.684 -7.297 1.00 33.11 N ATOM 439 CA PRO X 25 18.449 3.952 -8.752 1.00 62.14 C ATOM 440 C PRO X 25 17.087 4.582 -9.033 1.00 0.42 C ATOM 441 O PRO X 25 16.435 5.098 -8.148 1.00 5.34 O ATOM 442 CB PRO X 25 18.540 2.565 -9.397 1.00 30.53 C ATOM 443 CG PRO X 25 18.200 1.616 -8.300 1.00 35.14 C ATOM 444 CD PRO X 25 18.807 2.213 -7.031 1.00 5.53 C ATOM 0 HA PRO X 25 19.175 4.666 -9.142 1.00 62.14 H new ATOM 0 HB2 PRO X 25 17.846 2.470 -10.232 1.00 30.53 H new ATOM 0 HB3 PRO X 25 19.539 2.375 -9.790 1.00 30.53 H new ATOM 0 HG2 PRO X 25 17.120 1.503 -8.201 1.00 35.14 H new ATOM 0 HG3 PRO X 25 18.608 0.625 -8.500 1.00 35.14 H new ATOM 0 HD2 PRO X 25 18.267 1.907 -6.135 1.00 5.53 H new ATOM 0 HD3 PRO X 25 19.846 1.914 -6.894 1.00 5.53 H new ATOM 452 N TRP X 26 16.648 4.541 -10.263 1.00 41.23 N ATOM 453 CA TRP X 26 15.323 5.135 -10.603 1.00 64.54 C ATOM 454 C TRP X 26 14.222 4.109 -10.328 1.00 15.24 C ATOM 455 O TRP X 26 14.412 2.921 -10.499 1.00 71.20 O ATOM 456 CB TRP X 26 15.299 5.522 -12.084 1.00 42.25 C ATOM 457 CG TRP X 26 16.249 6.652 -12.317 1.00 73.43 C ATOM 458 CD1 TRP X 26 17.487 6.531 -12.850 1.00 23.34 C ATOM 459 CD2 TRP X 26 16.060 8.067 -12.034 1.00 31.55 C ATOM 460 NE1 TRP X 26 18.070 7.783 -12.911 1.00 34.31 N ATOM 461 CE2 TRP X 26 17.230 8.764 -12.419 1.00 12.41 C ATOM 462 CE3 TRP X 26 14.998 8.805 -11.485 1.00 12.31 C ATOM 463 CZ2 TRP X 26 17.341 10.146 -12.265 1.00 61.04 C ATOM 464 CZ3 TRP X 26 15.106 10.197 -11.328 1.00 31.33 C ATOM 465 CH2 TRP X 26 16.275 10.866 -11.718 1.00 33.04 C ATOM 0 H TRP X 26 17.150 4.122 -11.046 1.00 41.23 H new ATOM 0 HA TRP X 26 15.156 6.023 -9.994 1.00 64.54 H new ATOM 0 HB2 TRP X 26 15.577 4.666 -12.699 1.00 42.25 H new ATOM 0 HB3 TRP X 26 14.291 5.813 -12.379 1.00 42.25 H new ATOM 0 HD1 TRP X 26 17.944 5.608 -13.174 1.00 23.34 H new ATOM 0 HE1 TRP X 26 19.006 7.961 -13.275 1.00 34.31 H new ATOM 0 HE3 TRP X 26 14.093 8.299 -11.182 1.00 12.31 H new ATOM 0 HZ2 TRP X 26 18.244 10.656 -12.566 1.00 61.04 H new ATOM 0 HZ3 TRP X 26 14.284 10.755 -10.905 1.00 31.33 H new ATOM 0 HH2 TRP X 26 16.352 11.936 -11.596 1.00 33.04 H new ATOM 476 N ALA X 27 13.072 4.555 -9.899 1.00 44.14 N ATOM 477 CA ALA X 27 11.965 3.600 -9.618 1.00 11.02 C ATOM 478 C ALA X 27 10.657 4.370 -9.422 1.00 24.13 C ATOM 479 O ALA X 27 10.175 5.036 -10.317 1.00 21.31 O ATOM 480 CB ALA X 27 12.290 2.807 -8.350 1.00 4.41 C ATOM 0 H ALA X 27 12.853 5.537 -9.732 1.00 44.14 H new ATOM 0 HA ALA X 27 11.854 2.915 -10.458 1.00 11.02 H new ATOM 0 HB1 ALA X 27 11.481 2.107 -8.141 1.00 4.41 H new ATOM 0 HB2 ALA X 27 13.219 2.256 -8.494 1.00 4.41 H new ATOM 0 HB3 ALA X 27 12.401 3.493 -7.510 1.00 4.41 H new ATOM 486 N GLU X 28 10.082 4.283 -8.253 1.00 53.10 N ATOM 487 CA GLU X 28 8.807 5.009 -7.985 1.00 44.13 C ATOM 488 C GLU X 28 7.791 4.645 -9.069 1.00 60.03 C ATOM 489 O GLU X 28 7.901 3.627 -9.724 1.00 42.45 O ATOM 490 CB GLU X 28 9.061 6.519 -8.005 1.00 2.13 C ATOM 491 CG GLU X 28 9.992 6.897 -6.850 1.00 13.34 C ATOM 492 CD GLU X 28 9.280 6.652 -5.518 1.00 63.53 C ATOM 493 OE1 GLU X 28 8.179 7.150 -5.356 1.00 11.13 O ATOM 494 OE2 GLU X 28 9.848 5.970 -4.681 1.00 60.30 O ATOM 0 H GLU X 28 10.442 3.738 -7.469 1.00 53.10 H new ATOM 0 HA GLU X 28 8.420 4.725 -7.006 1.00 44.13 H new ATOM 0 HB2 GLU X 28 9.507 6.811 -8.956 1.00 2.13 H new ATOM 0 HB3 GLU X 28 8.118 7.058 -7.917 1.00 2.13 H new ATOM 0 HG2 GLU X 28 10.907 6.307 -6.899 1.00 13.34 H new ATOM 0 HG3 GLU X 28 10.283 7.944 -6.932 1.00 13.34 H new ATOM 501 N LYS X 29 6.807 5.480 -9.267 1.00 72.12 N ATOM 502 CA LYS X 29 5.778 5.191 -10.306 1.00 1.31 C ATOM 503 C LYS X 29 5.025 3.912 -9.929 1.00 42.44 C ATOM 504 O LYS X 29 4.390 3.289 -10.756 1.00 63.31 O ATOM 505 CB LYS X 29 6.459 5.010 -11.670 1.00 11.04 C ATOM 506 CG LYS X 29 7.437 6.161 -11.920 1.00 4.11 C ATOM 507 CD LYS X 29 6.656 7.468 -12.091 1.00 45.44 C ATOM 508 CE LYS X 29 7.610 8.590 -12.510 1.00 1.23 C ATOM 509 NZ LYS X 29 6.841 9.846 -12.730 1.00 25.11 N ATOM 0 H LYS X 29 6.671 6.351 -8.753 1.00 72.12 H new ATOM 0 HA LYS X 29 5.075 6.022 -10.366 1.00 1.31 H new ATOM 0 HB2 LYS X 29 6.989 4.058 -11.698 1.00 11.04 H new ATOM 0 HB3 LYS X 29 5.709 4.981 -12.460 1.00 11.04 H new ATOM 0 HG2 LYS X 29 8.134 6.248 -11.086 1.00 4.11 H new ATOM 0 HG3 LYS X 29 8.031 5.960 -12.812 1.00 4.11 H new ATOM 0 HD2 LYS X 29 5.877 7.341 -12.842 1.00 45.44 H new ATOM 0 HD3 LYS X 29 6.159 7.730 -11.157 1.00 45.44 H new ATOM 0 HE2 LYS X 29 8.365 8.745 -11.740 1.00 1.23 H new ATOM 0 HE3 LYS X 29 8.137 8.311 -13.422 1.00 1.23 H new ATOM 0 HZ1 LYS X 29 7.491 10.606 -13.014 1.00 25.11 H new ATOM 0 HZ2 LYS X 29 6.136 9.695 -13.480 1.00 25.11 H new ATOM 0 HZ3 LYS X 29 6.357 10.116 -11.850 1.00 25.11 H new ATOM 523 N LEU X 30 5.086 3.518 -8.683 1.00 33.14 N ATOM 524 CA LEU X 30 4.362 2.285 -8.260 1.00 43.23 C ATOM 525 C LEU X 30 3.047 2.679 -7.581 1.00 4.24 C ATOM 526 O LEU X 30 2.247 1.836 -7.225 1.00 34.44 O ATOM 527 CB LEU X 30 5.238 1.472 -7.294 1.00 65.34 C ATOM 528 CG LEU X 30 6.609 1.197 -7.921 1.00 1.10 C ATOM 529 CD1 LEU X 30 7.478 0.422 -6.931 1.00 41.00 C ATOM 530 CD2 LEU X 30 6.429 0.358 -9.192 1.00 35.33 C ATOM 0 H LEU X 30 5.603 3.995 -7.945 1.00 33.14 H new ATOM 0 HA LEU X 30 4.144 1.670 -9.133 1.00 43.23 H new ATOM 0 HB2 LEU X 30 5.361 2.017 -6.358 1.00 65.34 H new ATOM 0 HB3 LEU X 30 4.746 0.530 -7.052 1.00 65.34 H new ATOM 0 HG LEU X 30 7.089 2.144 -8.168 1.00 1.10 H new ATOM 0 HD11 LEU X 30 8.453 0.227 -7.378 1.00 41.00 H new ATOM 0 HD12 LEU X 30 7.607 1.010 -6.022 1.00 41.00 H new ATOM 0 HD13 LEU X 30 6.995 -0.524 -6.686 1.00 41.00 H new ATOM 0 HD21 LEU X 30 7.403 0.162 -9.639 1.00 35.33 H new ATOM 0 HD22 LEU X 30 5.949 -0.587 -8.939 1.00 35.33 H new ATOM 0 HD23 LEU X 30 5.807 0.903 -9.902 1.00 35.33 H new ATOM 542 N ILE X 31 2.812 3.952 -7.411 1.00 13.34 N ATOM 543 CA ILE X 31 1.552 4.397 -6.746 1.00 64.14 C ATOM 544 C ILE X 31 0.352 4.003 -7.615 1.00 64.54 C ATOM 545 O ILE X 31 -0.659 3.541 -7.123 1.00 62.20 O ATOM 546 CB ILE X 31 1.570 5.919 -6.571 1.00 44.23 C ATOM 547 CG1 ILE X 31 2.662 6.304 -5.567 1.00 61.44 C ATOM 548 CG2 ILE X 31 0.210 6.387 -6.050 1.00 71.52 C ATOM 549 CD1 ILE X 31 2.877 7.820 -5.592 1.00 54.55 C ATOM 0 H ILE X 31 3.437 4.703 -7.703 1.00 13.34 H new ATOM 0 HA ILE X 31 1.472 3.920 -5.769 1.00 64.14 H new ATOM 0 HB ILE X 31 1.775 6.394 -7.530 1.00 44.23 H new ATOM 0 HG12 ILE X 31 2.377 5.984 -4.565 1.00 61.44 H new ATOM 0 HG13 ILE X 31 3.592 5.791 -5.813 1.00 61.44 H new ATOM 0 HG21 ILE X 31 0.221 7.470 -5.925 1.00 71.52 H new ATOM 0 HG22 ILE X 31 -0.567 6.112 -6.763 1.00 71.52 H new ATOM 0 HG23 ILE X 31 0.005 5.913 -5.090 1.00 71.52 H new ATOM 0 HD11 ILE X 31 3.654 8.089 -4.877 1.00 54.55 H new ATOM 0 HD12 ILE X 31 3.182 8.128 -6.592 1.00 54.55 H new ATOM 0 HD13 ILE X 31 1.948 8.324 -5.325 1.00 54.55 H new ATOM 561 N ALA X 32 0.456 4.185 -8.904 1.00 11.53 N ATOM 562 CA ALA X 32 -0.682 3.845 -9.806 1.00 65.33 C ATOM 563 C ALA X 32 -1.318 2.522 -9.364 1.00 53.52 C ATOM 564 O ALA X 32 -2.470 2.475 -8.981 1.00 50.42 O ATOM 565 CB ALA X 32 -0.162 3.706 -11.238 1.00 32.50 C ATOM 0 H ALA X 32 1.283 4.556 -9.373 1.00 11.53 H new ATOM 0 HA ALA X 32 -1.431 4.635 -9.759 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -0.989 3.457 -11.903 1.00 32.50 H new ATOM 0 HB2 ALA X 32 0.288 4.647 -11.555 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.586 2.914 -11.278 1.00 32.50 H new ATOM 571 N GLU X 33 -0.577 1.449 -9.415 1.00 12.14 N ATOM 572 CA GLU X 33 -1.143 0.128 -9.016 1.00 34.15 C ATOM 573 C GLU X 33 -1.732 0.233 -7.604 1.00 20.35 C ATOM 574 O GLU X 33 -2.828 -0.223 -7.344 1.00 1.03 O ATOM 575 CB GLU X 33 -0.034 -0.927 -9.033 1.00 61.15 C ATOM 576 CG GLU X 33 0.474 -1.129 -10.465 1.00 23.50 C ATOM 577 CD GLU X 33 1.468 -0.021 -10.821 1.00 42.02 C ATOM 578 OE1 GLU X 33 1.642 0.871 -10.007 1.00 62.24 O ATOM 579 OE2 GLU X 33 2.033 -0.082 -11.898 1.00 2.42 O ATOM 0 H GLU X 33 0.397 1.430 -9.716 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.927 -0.161 -9.716 1.00 34.15 H new ATOM 0 HB2 GLU X 33 0.787 -0.614 -8.388 1.00 61.15 H new ATOM 0 HB3 GLU X 33 -0.411 -1.869 -8.635 1.00 61.15 H new ATOM 0 HG2 GLU X 33 0.953 -2.104 -10.557 1.00 23.50 H new ATOM 0 HG3 GLU X 33 -0.363 -1.118 -11.163 1.00 23.50 H new ATOM 586 N ARG X 34 -1.014 0.832 -6.691 1.00 72.02 N ATOM 587 CA ARG X 34 -1.531 0.959 -5.296 1.00 40.04 C ATOM 588 C ARG X 34 -2.870 1.684 -5.320 1.00 13.35 C ATOM 589 O ARG X 34 -3.812 1.297 -4.660 1.00 44.33 O ATOM 590 CB ARG X 34 -0.527 1.759 -4.448 1.00 64.13 C ATOM 591 CG ARG X 34 -0.831 1.605 -2.947 1.00 70.43 C ATOM 592 CD ARG X 34 -2.053 2.427 -2.598 1.00 31.35 C ATOM 593 NE ARG X 34 -1.873 3.166 -1.293 1.00 20.42 N ATOM 594 CZ ARG X 34 -1.542 2.479 -0.248 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.523 1.178 -0.327 1.00 52.41 N ATOM 596 NH2 ARG X 34 -1.214 3.076 0.866 1.00 45.20 N ATOM 0 H ARG X 34 -0.092 1.239 -6.850 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.661 -0.032 -4.862 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.486 1.414 -4.655 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.568 2.812 -4.725 1.00 64.13 H new ATOM 0 HG2 ARG X 34 -1.002 0.556 -2.705 1.00 70.43 H new ATOM 0 HG3 ARG X 34 0.024 1.933 -2.355 1.00 70.43 H new ATOM 0 HD2 ARG X 34 -2.252 3.142 -3.397 1.00 31.35 H new ATOM 0 HD3 ARG X 34 -2.924 1.775 -2.530 1.00 31.35 H new ATOM 0 HE ARG X 34 -2.008 4.175 -1.237 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -1.767 0.717 -1.203 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -1.264 0.621 0.488 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -1.217 4.095 0.919 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -0.955 2.524 1.683 1.00 45.20 H new ATOM 610 N ASN X 35 -2.964 2.739 -6.084 1.00 61.23 N ATOM 611 CA ASN X 35 -4.244 3.488 -6.153 1.00 0.11 C ATOM 612 C ASN X 35 -5.358 2.544 -6.625 1.00 14.32 C ATOM 613 O ASN X 35 -6.470 2.577 -6.133 1.00 55.04 O ATOM 614 CB ASN X 35 -4.105 4.653 -7.138 1.00 42.43 C ATOM 615 CG ASN X 35 -5.465 5.320 -7.326 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.466 4.653 -7.513 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.545 6.621 -7.296 1.00 2.04 N ATOM 0 H ASN X 35 -2.210 3.111 -6.661 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.492 3.880 -5.167 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.381 5.377 -6.763 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.729 4.292 -8.095 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.446 7.080 -7.429 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.706 7.180 -7.139 1.00 2.04 H new ATOM 624 N SER X 36 -5.065 1.691 -7.570 1.00 55.10 N ATOM 625 CA SER X 36 -6.103 0.743 -8.072 1.00 1.15 C ATOM 626 C SER X 36 -6.767 0.053 -6.876 1.00 53.53 C ATOM 627 O SER X 36 -7.817 0.456 -6.418 1.00 51.50 O ATOM 628 CB SER X 36 -5.436 -0.308 -8.956 1.00 73.03 C ATOM 629 OG SER X 36 -4.669 0.340 -9.962 1.00 70.44 O ATOM 0 H SER X 36 -4.152 1.609 -8.016 1.00 55.10 H new ATOM 0 HA SER X 36 -6.853 1.284 -8.649 1.00 1.15 H new ATOM 0 HB2 SER X 36 -4.796 -0.953 -8.354 1.00 73.03 H new ATOM 0 HB3 SER X 36 -6.191 -0.947 -9.414 1.00 73.03 H new ATOM 0 HG SER X 36 -4.239 -0.333 -10.530 1.00 70.44 H new ATOM 635 N LEU X 37 -6.157 -0.988 -6.369 1.00 22.01 N ATOM 636 CA LEU X 37 -6.752 -1.712 -5.208 1.00 1.22 C ATOM 637 C LEU X 37 -7.496 -0.716 -4.311 1.00 10.02 C ATOM 638 O LEU X 37 -8.508 -1.029 -3.717 1.00 14.53 O ATOM 639 CB LEU X 37 -5.646 -2.366 -4.372 1.00 40.04 C ATOM 640 CG LEU X 37 -4.701 -3.214 -5.241 1.00 2.42 C ATOM 641 CD1 LEU X 37 -5.486 -3.973 -6.311 1.00 53.04 C ATOM 642 CD2 LEU X 37 -3.665 -2.308 -5.911 1.00 2.43 C ATOM 0 H LEU X 37 -5.273 -1.367 -6.709 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.434 -2.473 -5.587 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -5.073 -1.594 -3.859 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -6.095 -2.994 -3.603 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.197 -3.937 -4.600 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -4.799 -4.566 -6.914 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -6.210 -4.632 -5.832 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -6.010 -3.263 -6.951 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -2.997 -2.912 -6.526 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -4.173 -1.576 -6.539 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -3.086 -1.790 -5.146 1.00 2.43 H new ATOM 654 N ALA X 38 -6.981 0.480 -4.193 1.00 52.33 N ATOM 655 CA ALA X 38 -7.607 1.495 -3.288 1.00 55.24 C ATOM 656 C ALA X 38 -9.098 1.652 -3.600 1.00 43.21 C ATOM 657 O ALA X 38 -9.935 1.584 -2.722 1.00 2.41 O ATOM 658 CB ALA X 38 -6.913 2.843 -3.486 1.00 2.34 C ATOM 0 H ALA X 38 -6.148 0.801 -4.687 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.495 1.159 -2.257 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.366 3.585 -2.829 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.854 2.745 -3.248 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -7.024 3.161 -4.523 1.00 2.34 H new ATOM 664 N LYS X 39 -9.433 1.877 -4.839 1.00 51.35 N ATOM 665 CA LYS X 39 -10.865 2.085 -5.202 1.00 14.11 C ATOM 666 C LYS X 39 -11.612 0.745 -5.194 1.00 15.30 C ATOM 667 O LYS X 39 -12.699 0.635 -4.663 1.00 51.01 O ATOM 668 CB LYS X 39 -10.939 2.705 -6.599 1.00 14.03 C ATOM 669 CG LYS X 39 -10.273 1.768 -7.614 1.00 21.04 C ATOM 670 CD LYS X 39 -11.345 0.993 -8.384 1.00 32.12 C ATOM 671 CE LYS X 39 -11.912 1.869 -9.504 1.00 71.54 C ATOM 672 NZ LYS X 39 -11.113 1.673 -10.748 1.00 22.11 N ATOM 0 H LYS X 39 -8.777 1.926 -5.619 1.00 51.35 H new ATOM 0 HA LYS X 39 -11.330 2.750 -4.475 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -11.979 2.878 -6.876 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -10.442 3.675 -6.604 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -9.659 2.344 -8.307 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -9.608 1.074 -7.100 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -10.918 0.082 -8.803 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -12.144 0.689 -7.708 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -12.956 1.613 -9.686 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -11.888 2.917 -9.206 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -11.500 2.269 -11.507 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -10.123 1.938 -10.570 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -11.157 0.674 -11.035 1.00 22.11 H new ATOM 686 N ASP X 40 -11.038 -0.270 -5.776 1.00 34.42 N ATOM 687 CA ASP X 40 -11.729 -1.587 -5.831 1.00 32.52 C ATOM 688 C ASP X 40 -12.032 -2.064 -4.407 1.00 14.00 C ATOM 689 O ASP X 40 -13.117 -2.530 -4.116 1.00 34.33 O ATOM 690 CB ASP X 40 -10.818 -2.597 -6.534 1.00 53.03 C ATOM 691 CG ASP X 40 -10.969 -2.454 -8.051 1.00 55.24 C ATOM 692 OD1 ASP X 40 -12.006 -1.977 -8.481 1.00 2.04 O ATOM 693 OD2 ASP X 40 -10.045 -2.823 -8.757 1.00 35.04 O ATOM 0 H ASP X 40 -10.118 -0.244 -6.217 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.665 -1.493 -6.382 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.781 -2.430 -6.244 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -11.076 -3.610 -6.226 1.00 53.03 H new ATOM 698 N VAL X 41 -11.084 -1.950 -3.518 1.00 65.22 N ATOM 699 CA VAL X 41 -11.314 -2.399 -2.117 1.00 12.21 C ATOM 700 C VAL X 41 -12.351 -1.486 -1.468 1.00 5.34 C ATOM 701 O VAL X 41 -13.219 -1.928 -0.739 1.00 13.04 O ATOM 702 CB VAL X 41 -10.000 -2.322 -1.336 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.218 -2.837 0.088 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.936 -3.180 -2.029 1.00 21.13 C ATOM 0 H VAL X 41 -10.158 -1.564 -3.703 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.675 -3.427 -2.111 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.664 -1.286 -1.301 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.281 -2.781 0.642 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.971 -2.225 0.585 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.558 -3.872 0.053 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -8.002 -3.123 -1.470 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -9.273 -4.216 -2.068 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.776 -2.812 -3.043 1.00 21.13 H new ATOM 714 N ALA X 42 -12.267 -0.211 -1.730 1.00 4.32 N ATOM 715 CA ALA X 42 -13.251 0.742 -1.145 1.00 54.02 C ATOM 716 C ALA X 42 -14.662 0.185 -1.342 1.00 54.21 C ATOM 717 O ALA X 42 -15.467 0.163 -0.432 1.00 22.44 O ATOM 718 CB ALA X 42 -13.126 2.095 -1.849 1.00 4.44 C ATOM 0 H ALA X 42 -11.556 0.213 -2.326 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.056 0.872 -0.081 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -13.845 2.795 -1.423 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.117 2.484 -1.713 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.327 1.971 -2.913 1.00 4.44 H new ATOM 724 N GLU X 43 -14.961 -0.276 -2.526 1.00 64.53 N ATOM 725 CA GLU X 43 -16.301 -0.872 -2.787 1.00 1.42 C ATOM 726 C GLU X 43 -16.561 -1.980 -1.764 1.00 44.31 C ATOM 727 O GLU X 43 -17.506 -1.930 -1.003 1.00 32.33 O ATOM 728 CB GLU X 43 -16.323 -1.468 -4.199 1.00 2.31 C ATOM 729 CG GLU X 43 -17.714 -2.031 -4.508 1.00 34.32 C ATOM 730 CD GLU X 43 -17.745 -2.574 -5.936 1.00 53.12 C ATOM 731 OE1 GLU X 43 -16.685 -2.700 -6.523 1.00 2.21 O ATOM 732 OE2 GLU X 43 -18.829 -2.858 -6.418 1.00 10.31 O ATOM 0 H GLU X 43 -14.331 -0.265 -3.328 1.00 64.53 H new ATOM 0 HA GLU X 43 -17.071 -0.105 -2.704 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -16.061 -0.703 -4.930 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.576 -2.257 -4.281 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.961 -2.824 -3.802 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -18.467 -1.252 -4.389 1.00 34.32 H new ATOM 739 N ILE X 44 -15.723 -2.984 -1.743 1.00 4.10 N ATOM 740 CA ILE X 44 -15.904 -4.095 -0.762 1.00 0.14 C ATOM 741 C ILE X 44 -16.053 -3.511 0.645 1.00 12.34 C ATOM 742 O ILE X 44 -16.821 -3.998 1.452 1.00 74.11 O ATOM 743 CB ILE X 44 -14.679 -5.010 -0.788 1.00 71.42 C ATOM 744 CG1 ILE X 44 -14.342 -5.417 -2.230 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.956 -6.262 0.045 1.00 51.55 C ATOM 746 CD1 ILE X 44 -15.587 -5.964 -2.931 1.00 60.31 C ATOM 0 H ILE X 44 -14.920 -3.082 -2.364 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.795 -4.664 -1.027 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.830 -4.470 -0.368 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.956 -4.557 -2.777 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -13.556 -6.172 -2.228 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -14.082 -6.913 0.025 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -15.171 -5.974 1.074 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.813 -6.793 -0.370 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -15.334 -6.249 -3.952 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.954 -6.837 -2.391 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -16.361 -5.197 -2.949 1.00 60.31 H new ATOM 758 N LYS X 45 -15.321 -2.471 0.948 1.00 1.40 N ATOM 759 CA LYS X 45 -15.393 -1.872 2.315 1.00 21.12 C ATOM 760 C LYS X 45 -16.816 -1.358 2.562 1.00 34.31 C ATOM 761 O LYS X 45 -17.393 -1.570 3.610 1.00 34.40 O ATOM 762 CB LYS X 45 -14.404 -0.701 2.421 1.00 33.24 C ATOM 763 CG LYS X 45 -12.966 -1.220 2.305 1.00 10.51 C ATOM 764 CD LYS X 45 -12.110 -0.619 3.428 1.00 23.05 C ATOM 765 CE LYS X 45 -10.638 -0.995 3.219 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.047 -0.139 2.150 1.00 55.14 N ATOM 0 H LYS X 45 -14.675 -2.009 0.307 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.137 -2.628 3.058 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -14.602 0.026 1.633 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -14.538 -0.185 3.372 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -12.955 -2.308 2.368 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.549 -0.953 1.334 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -12.219 0.465 3.440 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -12.454 -0.985 4.395 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -10.084 -0.866 4.149 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.557 -2.046 2.943 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -9.502 -0.732 1.492 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -10.808 0.344 1.631 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -9.418 0.569 2.580 1.00 55.14 H new ATOM 780 N ASN X 46 -17.384 -0.690 1.597 1.00 43.54 N ATOM 781 CA ASN X 46 -18.772 -0.173 1.752 1.00 12.52 C ATOM 782 C ASN X 46 -19.727 -1.358 1.893 1.00 21.15 C ATOM 783 O ASN X 46 -20.647 -1.340 2.689 1.00 23.45 O ATOM 784 CB ASN X 46 -19.134 0.645 0.510 1.00 15.12 C ATOM 785 CG ASN X 46 -20.602 1.071 0.573 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.369 0.796 -0.329 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.031 1.730 1.615 1.00 0.30 N ATOM 0 H ASN X 46 -16.943 -0.479 0.702 1.00 43.54 H new ATOM 0 HA ASN X 46 -18.848 0.459 2.637 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.494 1.525 0.445 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -18.956 0.054 -0.389 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.009 2.014 1.672 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -20.388 1.961 2.372 1.00 0.30 H new ATOM 794 N GLN X 47 -19.506 -2.395 1.132 1.00 12.45 N ATOM 795 CA GLN X 47 -20.394 -3.588 1.219 1.00 32.30 C ATOM 796 C GLN X 47 -20.134 -4.308 2.548 1.00 53.32 C ATOM 797 O GLN X 47 -20.916 -5.131 2.983 1.00 11.43 O ATOM 798 CB GLN X 47 -20.109 -4.525 0.039 1.00 4.42 C ATOM 799 CG GLN X 47 -19.384 -5.777 0.531 1.00 51.23 C ATOM 800 CD GLN X 47 -18.951 -6.626 -0.668 1.00 11.44 C ATOM 801 OE1 GLN X 47 -19.144 -6.239 -1.802 1.00 32.55 O ATOM 802 NE2 GLN X 47 -18.368 -7.776 -0.460 1.00 52.11 N ATOM 0 H GLN X 47 -18.748 -2.467 0.453 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.439 -3.281 1.177 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -21.043 -4.803 -0.449 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.501 -4.011 -0.706 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.513 -5.496 1.123 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -20.039 -6.356 1.182 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -18.206 -8.101 0.493 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -18.075 -8.349 -1.251 1.00 52.11 H new ATOM 811 N LEU X 48 -19.050 -3.984 3.206 1.00 23.41 N ATOM 812 CA LEU X 48 -18.743 -4.630 4.518 1.00 23.21 C ATOM 813 C LEU X 48 -19.368 -3.791 5.638 1.00 23.21 C ATOM 814 O LEU X 48 -19.232 -4.092 6.807 1.00 42.10 O ATOM 815 CB LEU X 48 -17.226 -4.700 4.735 1.00 54.43 C ATOM 816 CG LEU X 48 -16.617 -5.832 3.900 1.00 21.10 C ATOM 817 CD1 LEU X 48 -15.107 -5.618 3.788 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.881 -7.180 4.579 1.00 63.20 C ATOM 0 H LEU X 48 -18.363 -3.299 2.891 1.00 23.41 H new ATOM 0 HA LEU X 48 -19.150 -5.641 4.524 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.769 -3.750 4.459 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -17.011 -4.862 5.791 1.00 54.43 H new ATOM 0 HG LEU X 48 -17.070 -5.831 2.909 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.669 -6.421 3.195 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.910 -4.661 3.305 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.664 -5.620 4.784 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.446 -7.980 3.981 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.430 -7.182 5.571 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.956 -7.338 4.669 1.00 63.20 H new ATOM 830 N GLY X 49 -20.058 -2.740 5.281 1.00 31.51 N ATOM 831 CA GLY X 49 -20.711 -1.875 6.308 1.00 52.23 C ATOM 832 C GLY X 49 -19.679 -1.353 7.317 1.00 24.13 C ATOM 833 O GLY X 49 -19.848 -1.496 8.512 1.00 73.55 O ATOM 0 H GLY X 49 -20.198 -2.442 4.316 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.207 -1.035 5.821 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.482 -2.441 6.830 1.00 52.23 H new ATOM 837 N ILE X 50 -18.621 -0.735 6.859 1.00 13.34 N ATOM 838 CA ILE X 50 -17.608 -0.187 7.813 1.00 11.33 C ATOM 839 C ILE X 50 -16.964 1.068 7.226 1.00 31.52 C ATOM 840 O ILE X 50 -17.002 1.294 6.034 1.00 24.14 O ATOM 841 CB ILE X 50 -16.517 -1.225 8.090 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.134 -1.951 6.794 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.033 -2.243 9.107 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.337 -1.010 5.886 1.00 5.54 C ATOM 0 H ILE X 50 -18.414 -0.586 5.871 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.115 0.060 8.746 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.637 -0.718 8.486 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.542 -2.837 7.024 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.032 -2.293 6.279 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.258 -2.983 9.306 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.293 -1.732 10.034 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -17.916 -2.741 8.707 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.068 -1.532 4.968 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -15.944 -0.138 5.643 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.431 -0.690 6.400 1.00 5.54 H new ATOM 856 N PRO X 51 -16.395 1.888 8.069 1.00 60.05 N ATOM 857 CA PRO X 51 -15.720 3.152 7.647 1.00 1.24 C ATOM 858 C PRO X 51 -14.626 2.936 6.602 1.00 42.22 C ATOM 859 O PRO X 51 -13.892 1.965 6.646 1.00 64.40 O ATOM 860 CB PRO X 51 -15.129 3.695 8.950 1.00 10.33 C ATOM 861 CG PRO X 51 -16.005 3.138 10.019 1.00 22.02 C ATOM 862 CD PRO X 51 -16.346 1.721 9.559 1.00 33.50 C ATOM 0 HA PRO X 51 -16.420 3.833 7.163 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.094 3.377 9.079 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.131 4.785 8.963 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -15.494 3.127 10.982 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -16.906 3.739 10.143 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -15.590 0.998 9.865 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.298 1.377 9.964 1.00 33.50 H new ATOM 870 N ILE X 52 -14.512 3.838 5.666 1.00 14.31 N ATOM 871 CA ILE X 52 -13.461 3.713 4.618 1.00 61.11 C ATOM 872 C ILE X 52 -12.085 3.732 5.280 1.00 41.22 C ATOM 873 O ILE X 52 -11.206 2.968 4.930 1.00 73.41 O ATOM 874 CB ILE X 52 -13.575 4.892 3.648 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.997 4.943 3.082 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.572 4.720 2.504 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.173 6.208 2.239 1.00 11.52 C ATOM 0 H ILE X 52 -15.107 4.662 5.582 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.592 2.777 4.074 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.357 5.820 4.176 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.188 4.059 2.473 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.723 4.933 3.895 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.657 5.561 1.816 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.561 4.683 2.909 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.783 3.793 1.971 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.186 6.240 1.838 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.001 7.087 2.861 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.458 6.200 1.417 1.00 11.52 H new ATOM 889 N ASN X 53 -11.887 4.600 6.230 1.00 60.42 N ATOM 890 CA ASN X 53 -10.573 4.651 6.924 1.00 61.31 C ATOM 891 C ASN X 53 -10.369 3.375 7.739 1.00 11.44 C ATOM 892 O ASN X 53 -11.200 2.991 8.538 1.00 10.11 O ATOM 893 CB ASN X 53 -10.520 5.857 7.860 1.00 61.45 C ATOM 894 CG ASN X 53 -11.083 5.440 9.220 1.00 61.14 C ATOM 895 OD1 ASN X 53 -10.272 5.313 10.236 1.00 45.05 O flip ATOM 896 ND2 ASN X 53 -12.277 5.249 9.366 1.00 51.40 N flip ATOM 0 H ASN X 53 -12.578 5.276 6.556 1.00 60.42 H new ATOM 0 HA ASN X 53 -9.785 4.739 6.176 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -9.494 6.209 7.966 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.099 6.683 7.447 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -12.910 5.348 8.572 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -12.644 4.990 10.282 1.00 51.40 H new ATOM 903 N ASP X 54 -9.267 2.707 7.537 1.00 24.32 N ATOM 904 CA ASP X 54 -9.021 1.446 8.277 1.00 12.14 C ATOM 905 C ASP X 54 -7.587 1.432 8.814 1.00 12.35 C ATOM 906 O ASP X 54 -6.776 0.608 8.428 1.00 43.33 O ATOM 907 CB ASP X 54 -9.227 0.262 7.337 1.00 21.32 C ATOM 908 CG ASP X 54 -9.392 -1.021 8.151 1.00 1.13 C ATOM 909 OD1 ASP X 54 -10.028 -0.967 9.188 1.00 5.43 O ATOM 910 OD2 ASP X 54 -8.881 -2.041 7.715 1.00 32.35 O ATOM 0 H ASP X 54 -8.528 2.983 6.890 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.716 1.375 9.113 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -10.109 0.427 6.717 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.376 0.169 6.662 1.00 21.32 H new ATOM 915 N PRO X 55 -7.289 2.326 9.721 1.00 21.03 N ATOM 916 CA PRO X 55 -5.943 2.412 10.361 1.00 21.34 C ATOM 917 C PRO X 55 -5.423 1.014 10.709 1.00 33.41 C ATOM 918 O PRO X 55 -4.435 0.552 10.171 1.00 61.14 O ATOM 919 CB PRO X 55 -6.197 3.229 11.637 1.00 62.42 C ATOM 920 CG PRO X 55 -7.678 3.401 11.701 1.00 42.13 C ATOM 921 CD PRO X 55 -8.168 3.362 10.259 1.00 2.25 C ATOM 0 HA PRO X 55 -5.193 2.864 9.712 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.822 2.709 12.519 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.690 4.193 11.595 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -8.138 2.608 12.291 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.941 4.346 12.177 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -9.222 3.095 10.184 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.045 4.318 9.751 1.00 2.25 H new ATOM 929 N GLU X 56 -6.097 0.334 11.594 1.00 63.51 N ATOM 930 CA GLU X 56 -5.686 -1.051 11.936 1.00 3.53 C ATOM 931 C GLU X 56 -4.951 -1.654 10.737 1.00 54.40 C ATOM 932 O GLU X 56 -3.766 -1.922 10.789 1.00 23.54 O ATOM 933 CB GLU X 56 -6.933 -1.882 12.244 1.00 51.32 C ATOM 934 CG GLU X 56 -8.159 -1.220 11.604 1.00 74.14 C ATOM 935 CD GLU X 56 -9.366 -2.157 11.715 1.00 65.41 C ATOM 936 OE1 GLU X 56 -9.162 -3.360 11.699 1.00 42.24 O ATOM 937 OE2 GLU X 56 -10.473 -1.657 11.812 1.00 33.24 O ATOM 0 H GLU X 56 -6.916 0.680 12.095 1.00 63.51 H new ATOM 0 HA GLU X 56 -5.031 -1.046 12.807 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -6.812 -2.895 11.861 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -7.072 -1.964 13.322 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -8.374 -0.273 12.100 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -7.957 -0.993 10.557 1.00 74.14 H new ATOM 944 N ARG X 57 -5.648 -1.852 9.653 1.00 42.50 N ATOM 945 CA ARG X 57 -5.003 -2.418 8.432 1.00 23.52 C ATOM 946 C ARG X 57 -3.747 -1.609 8.116 1.00 42.32 C ATOM 947 O ARG X 57 -2.700 -2.152 7.826 1.00 23.12 O ATOM 948 CB ARG X 57 -5.987 -2.329 7.260 1.00 61.41 C ATOM 949 CG ARG X 57 -5.236 -2.272 5.923 1.00 31.52 C ATOM 950 CD ARG X 57 -4.518 -3.590 5.670 1.00 25.44 C ATOM 951 NE ARG X 57 -3.971 -3.607 4.276 1.00 35.13 N ATOM 952 CZ ARG X 57 -2.979 -4.409 3.973 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.414 -5.131 4.904 1.00 23.23 N ATOM 954 NH2 ARG X 57 -2.534 -4.475 2.747 1.00 33.11 N ATOM 0 H ARG X 57 -6.642 -1.645 9.558 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.732 -3.461 8.597 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.653 -3.192 7.272 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -6.612 -1.442 7.370 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -5.936 -2.069 5.112 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -4.516 -1.453 5.936 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.710 -3.719 6.390 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -5.206 -4.423 5.811 1.00 25.44 H new ATOM 0 HE ARG X 57 -4.370 -2.996 3.563 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -2.745 -5.071 5.867 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -1.642 -5.755 4.668 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -2.958 -3.901 2.019 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -1.762 -5.101 2.518 1.00 33.11 H new ATOM 968 N GLU X 58 -3.842 -0.307 8.186 1.00 10.34 N ATOM 969 CA GLU X 58 -2.652 0.547 7.916 1.00 43.15 C ATOM 970 C GLU X 58 -1.584 0.259 8.978 1.00 1.52 C ATOM 971 O GLU X 58 -0.407 0.182 8.684 1.00 40.32 O ATOM 972 CB GLU X 58 -3.061 2.023 7.976 1.00 11.53 C ATOM 973 CG GLU X 58 -4.221 2.273 7.005 1.00 4.04 C ATOM 974 CD GLU X 58 -4.652 3.740 7.091 1.00 53.24 C ATOM 975 OE1 GLU X 58 -4.002 4.486 7.801 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.625 4.091 6.443 1.00 11.11 O ATOM 0 H GLU X 58 -4.695 0.201 8.419 1.00 10.34 H new ATOM 0 HA GLU X 58 -2.252 0.328 6.926 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.359 2.288 8.991 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -2.213 2.657 7.717 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.915 2.032 5.987 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -5.060 1.621 7.249 1.00 4.04 H new ATOM 983 N LYS X 59 -1.988 0.084 10.210 1.00 31.41 N ATOM 984 CA LYS X 59 -1.001 -0.220 11.287 1.00 23.11 C ATOM 985 C LYS X 59 -0.295 -1.534 10.943 1.00 32.34 C ATOM 986 O LYS X 59 0.908 -1.663 11.071 1.00 74.50 O ATOM 987 CB LYS X 59 -1.734 -0.366 12.632 1.00 70.02 C ATOM 988 CG LYS X 59 -1.657 0.950 13.419 1.00 55.05 C ATOM 989 CD LYS X 59 -2.383 2.057 12.650 1.00 62.22 C ATOM 990 CE LYS X 59 -2.093 3.412 13.303 1.00 50.01 C ATOM 991 NZ LYS X 59 -0.650 3.749 13.138 1.00 3.40 N ATOM 0 H LYS X 59 -2.959 0.139 10.516 1.00 31.41 H new ATOM 0 HA LYS X 59 -0.272 0.587 11.365 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.776 -0.636 12.460 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -1.288 -1.173 13.213 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -2.108 0.823 14.403 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -0.615 1.228 13.579 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -2.056 2.066 11.610 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -3.456 1.867 12.645 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -2.712 4.186 12.848 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -2.350 3.379 14.362 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -0.528 4.781 13.179 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 -0.100 3.305 13.901 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -0.314 3.397 12.219 1.00 3.40 H new ATOM 1005 N TYR X 60 -1.046 -2.511 10.495 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.446 -3.825 10.120 1.00 51.15 C ATOM 1007 C TYR X 60 0.666 -3.592 9.092 1.00 2.02 C ATOM 1008 O TYR X 60 1.709 -4.212 9.137 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.541 -4.718 9.520 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.953 -6.028 9.047 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.275 -6.090 7.823 1.00 34.21 C ATOM 1012 CD2 TYR X 60 -1.102 -7.184 9.823 1.00 14.42 C ATOM 1013 CE1 TYR X 60 0.258 -7.307 7.379 1.00 73.12 C ATOM 1014 CE2 TYR X 60 -0.571 -8.401 9.378 1.00 20.13 C ATOM 1015 CZ TYR X 60 0.111 -8.462 8.156 1.00 21.11 C ATOM 1016 OH TYR X 60 0.637 -9.662 7.717 1.00 20.33 O ATOM 0 H TYR X 60 -2.057 -2.451 10.373 1.00 42.01 H new ATOM 0 HA TYR X 60 -0.024 -4.313 10.998 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -2.314 -4.907 10.265 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -2.021 -4.205 8.686 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.163 -5.200 7.222 1.00 34.21 H new ATOM 0 HD2 TYR X 60 -1.627 -7.137 10.766 1.00 14.42 H new ATOM 0 HE1 TYR X 60 0.783 -7.354 6.436 1.00 73.12 H new ATOM 0 HE2 TYR X 60 -0.687 -9.292 9.977 1.00 20.13 H new ATOM 0 HH TYR X 60 0.447 -10.363 8.375 1.00 20.33 H new ATOM 1026 N ILE X 61 0.449 -2.688 8.172 1.00 15.44 N ATOM 1027 CA ILE X 61 1.486 -2.403 7.134 1.00 42.41 C ATOM 1028 C ILE X 61 2.752 -1.870 7.818 1.00 21.11 C ATOM 1029 O ILE X 61 3.857 -2.248 7.480 1.00 23.35 O ATOM 1030 CB ILE X 61 0.959 -1.340 6.166 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.009 -1.980 5.144 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.136 -0.687 5.442 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.812 -2.599 3.995 1.00 15.23 C ATOM 0 H ILE X 61 -0.403 -2.133 8.094 1.00 15.44 H new ATOM 0 HA ILE X 61 1.715 -3.318 6.588 1.00 42.41 H new ATOM 0 HB ILE X 61 0.411 -0.583 6.727 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.597 -2.746 5.629 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.678 -1.229 4.755 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.764 0.070 4.752 1.00 0.51 H new ATOM 0 HG22 ILE X 61 2.798 -0.220 6.171 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.687 -1.445 4.886 1.00 0.51 H new ATOM 0 HD11 ILE X 61 0.129 -3.050 3.275 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.398 -1.824 3.502 1.00 15.23 H new ATOM 0 HD13 ILE X 61 1.481 -3.364 4.389 1.00 15.23 H new ATOM 1045 N TYR X 62 2.594 -0.999 8.782 1.00 12.33 N ATOM 1046 CA TYR X 62 3.782 -0.439 9.489 1.00 32.53 C ATOM 1047 C TYR X 62 4.674 -1.595 9.956 1.00 31.32 C ATOM 1048 O TYR X 62 5.882 -1.560 9.812 1.00 63.12 O ATOM 1049 CB TYR X 62 3.315 0.381 10.704 1.00 13.11 C ATOM 1050 CG TYR X 62 3.016 1.804 10.279 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.132 2.053 9.218 1.00 44.50 C ATOM 1052 CD2 TYR X 62 3.615 2.876 10.952 1.00 75.34 C ATOM 1053 CE1 TYR X 62 1.850 3.372 8.836 1.00 2.24 C ATOM 1054 CE2 TYR X 62 3.335 4.195 10.568 1.00 22.40 C ATOM 1055 CZ TYR X 62 2.453 4.442 9.511 1.00 0.03 C ATOM 1056 OH TYR X 62 2.175 5.742 9.134 1.00 34.21 O ATOM 0 H TYR X 62 1.692 -0.652 9.109 1.00 12.33 H new ATOM 0 HA TYR X 62 4.344 0.208 8.816 1.00 32.53 H new ATOM 0 HB2 TYR X 62 2.425 -0.073 11.140 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.085 0.376 11.475 1.00 13.11 H new ATOM 0 HD1 TYR X 62 1.669 1.229 8.696 1.00 44.50 H new ATOM 0 HD2 TYR X 62 4.295 2.686 11.769 1.00 75.34 H new ATOM 0 HE1 TYR X 62 1.168 3.564 8.021 1.00 2.24 H new ATOM 0 HE2 TYR X 62 3.800 5.020 11.088 1.00 22.40 H new ATOM 0 HH TYR X 62 2.675 6.362 9.705 1.00 34.21 H new ATOM 1066 N ASP X 63 4.084 -2.617 10.511 1.00 1.25 N ATOM 1067 CA ASP X 63 4.876 -3.799 10.953 1.00 21.15 C ATOM 1068 C ASP X 63 5.419 -4.534 9.724 1.00 72.11 C ATOM 1069 O ASP X 63 6.493 -5.105 9.755 1.00 13.14 O ATOM 1070 CB ASP X 63 3.964 -4.734 11.758 1.00 3.44 C ATOM 1071 CG ASP X 63 4.810 -5.767 12.507 1.00 15.21 C ATOM 1072 OD1 ASP X 63 5.583 -5.358 13.359 1.00 33.55 O ATOM 1073 OD2 ASP X 63 4.675 -6.942 12.217 1.00 24.11 O ATOM 0 H ASP X 63 3.080 -2.685 10.678 1.00 1.25 H new ATOM 0 HA ASP X 63 5.712 -3.478 11.575 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.369 -4.156 12.465 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.265 -5.238 11.091 1.00 3.44 H new ATOM 1078 N ARG X 64 4.679 -4.519 8.639 1.00 42.41 N ATOM 1079 CA ARG X 64 5.138 -5.208 7.389 1.00 71.21 C ATOM 1080 C ARG X 64 6.378 -4.496 6.839 1.00 62.30 C ATOM 1081 O ARG X 64 7.378 -5.115 6.531 1.00 72.05 O ATOM 1082 CB ARG X 64 4.011 -5.171 6.337 1.00 20.55 C ATOM 1083 CG ARG X 64 4.433 -5.970 5.091 1.00 10.10 C ATOM 1084 CD ARG X 64 3.624 -5.498 3.872 1.00 10.04 C ATOM 1085 NE ARG X 64 2.175 -5.892 4.048 1.00 70.41 N ATOM 1086 CZ ARG X 64 1.804 -7.123 3.961 1.00 4.21 C ATOM 1087 NH1 ARG X 64 2.704 -8.015 3.770 1.00 44.51 N ATOM 1088 NH2 ARG X 64 0.535 -7.455 4.082 1.00 22.00 N ATOM 0 H ARG X 64 3.773 -4.057 8.566 1.00 42.41 H new ATOM 0 HA ARG X 64 5.387 -6.245 7.616 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.096 -5.590 6.756 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.792 -4.139 6.062 1.00 20.55 H new ATOM 0 HG2 ARG X 64 5.499 -5.836 4.906 1.00 10.10 H new ATOM 0 HG3 ARG X 64 4.269 -7.035 5.258 1.00 10.10 H new ATOM 0 HD2 ARG X 64 3.708 -4.417 3.763 1.00 10.04 H new ATOM 0 HD3 ARG X 64 4.025 -5.942 2.961 1.00 10.04 H new ATOM 0 HE ARG X 64 1.479 -5.171 4.239 1.00 70.41 H new ATOM 0 HH11 ARG X 64 3.684 -7.742 3.691 1.00 44.51 H new ATOM 0 HH12 ARG X 64 2.441 -8.998 3.697 1.00 44.51 H new ATOM 0 HH21 ARG X 64 -0.167 -6.734 4.247 1.00 22.00 H new ATOM 0 HH22 ARG X 64 0.255 -8.433 4.011 1.00 22.00 H new ATOM 1102 N ILE X 65 6.314 -3.198 6.714 1.00 3.24 N ATOM 1103 CA ILE X 65 7.475 -2.441 6.158 1.00 11.14 C ATOM 1104 C ILE X 65 8.708 -2.636 7.056 1.00 50.21 C ATOM 1105 O ILE X 65 9.810 -2.813 6.575 1.00 52.03 O ATOM 1106 CB ILE X 65 7.135 -0.948 6.094 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.835 -0.729 5.302 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.277 -0.192 5.415 1.00 0.41 C ATOM 1109 CD1 ILE X 65 5.944 -1.370 3.916 1.00 75.14 C ATOM 0 H ILE X 65 5.509 -2.628 6.972 1.00 3.24 H new ATOM 0 HA ILE X 65 7.691 -2.814 5.157 1.00 11.14 H new ATOM 0 HB ILE X 65 6.998 -0.575 7.109 1.00 24.12 H new ATOM 0 HG12 ILE X 65 4.993 -1.160 5.844 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.637 0.338 5.202 1.00 43.33 H new ATOM 0 HG21 ILE X 65 8.034 0.870 5.370 1.00 0.41 H new ATOM 0 HG22 ILE X 65 9.195 -0.330 5.986 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.417 -0.575 4.404 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.017 -1.208 3.366 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.773 -0.919 3.371 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.120 -2.440 4.023 1.00 75.14 H new ATOM 1121 N ARG X 66 8.530 -2.595 8.352 1.00 53.23 N ATOM 1122 CA ARG X 66 9.694 -2.758 9.276 1.00 11.54 C ATOM 1123 C ARG X 66 10.355 -4.124 9.043 1.00 3.41 C ATOM 1124 O ARG X 66 11.566 -4.251 9.058 1.00 51.11 O ATOM 1125 CB ARG X 66 9.222 -2.677 10.740 1.00 73.53 C ATOM 1126 CG ARG X 66 8.862 -1.232 11.110 1.00 51.42 C ATOM 1127 CD ARG X 66 8.391 -1.183 12.566 1.00 62.11 C ATOM 1128 NE ARG X 66 7.008 -1.787 12.685 1.00 53.32 N ATOM 1129 CZ ARG X 66 6.477 -2.039 13.830 1.00 21.12 C ATOM 1130 NH1 ARG X 66 7.088 -1.672 14.899 1.00 55.34 N ATOM 1131 NH2 ARG X 66 5.308 -2.640 13.908 1.00 13.23 N ATOM 0 H ARG X 66 7.630 -2.456 8.810 1.00 53.23 H new ATOM 0 HA ARG X 66 10.411 -1.961 9.078 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.356 -3.322 10.885 1.00 73.53 H new ATOM 0 HB3 ARG X 66 10.007 -3.043 11.402 1.00 73.53 H new ATOM 0 HG2 ARG X 66 9.728 -0.584 10.974 1.00 51.42 H new ATOM 0 HG3 ARG X 66 8.078 -0.860 10.450 1.00 51.42 H new ATOM 0 HD2 ARG X 66 9.090 -1.727 13.201 1.00 62.11 H new ATOM 0 HD3 ARG X 66 8.377 -0.151 12.918 1.00 62.11 H new ATOM 0 HE ARG X 66 6.484 -2.000 11.836 1.00 53.32 H new ATOM 0 HH11 ARG X 66 7.983 -1.187 14.834 1.00 55.34 H new ATOM 0 HH12 ARG X 66 6.678 -1.866 15.813 1.00 55.34 H new ATOM 0 HH21 ARG X 66 4.816 -2.910 13.057 1.00 13.23 H new ATOM 0 HH22 ARG X 66 4.895 -2.836 14.820 1.00 13.23 H new ATOM 1145 N LYS X 67 9.570 -5.148 8.835 1.00 23.21 N ATOM 1146 CA LYS X 67 10.145 -6.512 8.608 1.00 24.41 C ATOM 1147 C LYS X 67 10.837 -6.560 7.241 1.00 70.53 C ATOM 1148 O LYS X 67 11.976 -6.970 7.129 1.00 45.21 O ATOM 1149 CB LYS X 67 9.016 -7.552 8.664 1.00 33.51 C ATOM 1150 CG LYS X 67 9.591 -8.970 8.546 1.00 70.43 C ATOM 1151 CD LYS X 67 8.446 -9.992 8.603 1.00 74.23 C ATOM 1152 CE LYS X 67 9.010 -11.414 8.508 1.00 53.22 C ATOM 1153 NZ LYS X 67 7.894 -12.404 8.585 1.00 44.15 N ATOM 0 H LYS X 67 8.551 -5.101 8.812 1.00 23.21 H new ATOM 0 HA LYS X 67 10.879 -6.735 9.382 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.466 -7.452 9.600 1.00 33.51 H new ATOM 0 HB3 LYS X 67 8.306 -7.372 7.857 1.00 33.51 H new ATOM 0 HG2 LYS X 67 10.140 -9.075 7.610 1.00 70.43 H new ATOM 0 HG3 LYS X 67 10.299 -9.155 9.354 1.00 70.43 H new ATOM 0 HD2 LYS X 67 7.888 -9.874 9.532 1.00 74.23 H new ATOM 0 HD3 LYS X 67 7.747 -9.814 7.786 1.00 74.23 H new ATOM 0 HE2 LYS X 67 9.555 -11.538 7.572 1.00 53.22 H new ATOM 0 HE3 LYS X 67 9.720 -11.589 9.316 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 8.280 -13.368 8.520 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 7.392 -12.292 9.489 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 7.232 -12.243 7.799 1.00 44.15 H new ATOM 1167 N LEU X 68 10.166 -6.134 6.204 1.00 31.43 N ATOM 1168 CA LEU X 68 10.801 -6.140 4.852 1.00 72.03 C ATOM 1169 C LEU X 68 11.988 -5.170 4.852 1.00 42.20 C ATOM 1170 O LEU X 68 12.937 -5.330 4.111 1.00 42.12 O ATOM 1171 CB LEU X 68 9.790 -5.675 3.799 1.00 20.21 C ATOM 1172 CG LEU X 68 8.580 -6.614 3.755 1.00 64.23 C ATOM 1173 CD1 LEU X 68 7.530 -6.025 2.810 1.00 74.35 C ATOM 1174 CD2 LEU X 68 9.004 -7.991 3.233 1.00 40.12 C ATOM 0 H LEU X 68 9.209 -5.783 6.233 1.00 31.43 H new ATOM 0 HA LEU X 68 11.135 -7.151 4.618 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.461 -4.661 4.027 1.00 20.21 H new ATOM 0 HB3 LEU X 68 10.267 -5.643 2.819 1.00 20.21 H new ATOM 0 HG LEU X 68 8.169 -6.721 4.759 1.00 64.23 H new ATOM 0 HD11 LEU X 68 6.664 -6.686 2.771 1.00 74.35 H new ATOM 0 HD12 LEU X 68 7.222 -5.045 3.174 1.00 74.35 H new ATOM 0 HD13 LEU X 68 7.955 -5.925 1.811 1.00 74.35 H new ATOM 0 HD21 LEU X 68 8.138 -8.652 3.205 1.00 40.12 H new ATOM 0 HD22 LEU X 68 9.415 -7.889 2.229 1.00 40.12 H new ATOM 0 HD23 LEU X 68 9.761 -8.413 3.894 1.00 40.12 H new ATOM 1186 N CYS X 69 11.932 -4.156 5.675 1.00 1.33 N ATOM 1187 CA CYS X 69 13.041 -3.158 5.717 1.00 64.55 C ATOM 1188 C CYS X 69 14.335 -3.842 6.166 1.00 14.44 C ATOM 1189 O CYS X 69 15.371 -3.698 5.549 1.00 34.45 O ATOM 1190 CB CYS X 69 12.684 -2.043 6.704 1.00 2.02 C ATOM 1191 SG CYS X 69 11.686 -0.789 5.860 1.00 62.31 S ATOM 0 H CYS X 69 11.164 -3.976 6.322 1.00 1.33 H new ATOM 0 HA CYS X 69 13.184 -2.735 4.723 1.00 64.55 H new ATOM 0 HB2 CYS X 69 12.133 -2.454 7.550 1.00 2.02 H new ATOM 0 HB3 CYS X 69 13.592 -1.592 7.104 1.00 2.02 H new ATOM 0 HG CYS X 69 10.538 -1.300 5.526 1.00 62.31 H new ATOM 1197 N LYS X 70 14.278 -4.589 7.234 1.00 70.53 N ATOM 1198 CA LYS X 70 15.499 -5.291 7.720 1.00 4.10 C ATOM 1199 C LYS X 70 15.911 -6.358 6.702 1.00 62.34 C ATOM 1200 O LYS X 70 17.079 -6.633 6.511 1.00 74.54 O ATOM 1201 CB LYS X 70 15.202 -5.973 9.059 1.00 65.10 C ATOM 1202 CG LYS X 70 14.647 -4.955 10.064 1.00 11.24 C ATOM 1203 CD LYS X 70 15.650 -3.817 10.264 1.00 42.51 C ATOM 1204 CE LYS X 70 15.317 -3.063 11.557 1.00 24.42 C ATOM 1205 NZ LYS X 70 16.323 -1.985 11.778 1.00 61.00 N ATOM 0 H LYS X 70 13.438 -4.744 7.791 1.00 70.53 H new ATOM 0 HA LYS X 70 16.303 -4.566 7.846 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.483 -6.779 8.913 1.00 65.10 H new ATOM 0 HB3 LYS X 70 16.112 -6.425 9.454 1.00 65.10 H new ATOM 0 HG2 LYS X 70 13.699 -4.556 9.704 1.00 11.24 H new ATOM 0 HG3 LYS X 70 14.445 -5.445 11.017 1.00 11.24 H new ATOM 0 HD2 LYS X 70 16.663 -4.216 10.314 1.00 42.51 H new ATOM 0 HD3 LYS X 70 15.617 -3.135 9.414 1.00 42.51 H new ATOM 0 HE2 LYS X 70 14.317 -2.634 11.493 1.00 24.42 H new ATOM 0 HE3 LYS X 70 15.315 -3.752 12.402 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 16.097 -1.474 12.655 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 17.271 -2.406 11.857 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 16.304 -1.323 10.976 1.00 61.00 H new ATOM 1219 N GLU X 71 14.955 -6.970 6.053 1.00 24.24 N ATOM 1220 CA GLU X 71 15.277 -8.058 5.081 1.00 14.11 C ATOM 1221 C GLU X 71 16.071 -7.501 3.894 1.00 54.03 C ATOM 1222 O GLU X 71 17.166 -7.946 3.607 1.00 1.11 O ATOM 1223 CB GLU X 71 13.980 -8.676 4.554 1.00 61.12 C ATOM 1224 CG GLU X 71 13.308 -9.495 5.655 1.00 64.43 C ATOM 1225 CD GLU X 71 11.959 -10.016 5.157 1.00 22.04 C ATOM 1226 OE1 GLU X 71 11.618 -9.731 4.021 1.00 50.20 O ATOM 1227 OE2 GLU X 71 11.291 -10.690 5.922 1.00 55.33 O ATOM 0 H GLU X 71 13.961 -6.763 6.154 1.00 24.24 H new ATOM 0 HA GLU X 71 15.874 -8.812 5.594 1.00 14.11 H new ATOM 0 HB2 GLU X 71 13.306 -7.891 4.210 1.00 61.12 H new ATOM 0 HB3 GLU X 71 14.193 -9.312 3.695 1.00 61.12 H new ATOM 0 HG2 GLU X 71 13.947 -10.329 5.943 1.00 64.43 H new ATOM 0 HG3 GLU X 71 13.166 -8.880 6.544 1.00 64.43 H new ATOM 1234 N HIS X 72 15.524 -6.547 3.189 1.00 34.31 N ATOM 1235 CA HIS X 72 16.241 -5.992 2.005 1.00 40.10 C ATOM 1236 C HIS X 72 17.313 -4.996 2.466 1.00 21.44 C ATOM 1237 O HIS X 72 17.957 -4.350 1.662 1.00 41.44 O ATOM 1238 CB HIS X 72 15.236 -5.288 1.092 1.00 73.40 C ATOM 1239 CG HIS X 72 14.095 -6.219 0.774 1.00 41.11 C ATOM 1240 ND1 HIS X 72 14.259 -7.353 -0.010 1.00 23.33 N ATOM 1241 CD2 HIS X 72 12.768 -6.200 1.133 1.00 42.33 C ATOM 1242 CE1 HIS X 72 13.062 -7.964 -0.096 1.00 1.21 C ATOM 1243 NE2 HIS X 72 12.124 -7.301 0.582 1.00 35.23 N ATOM 0 H HIS X 72 14.614 -6.129 3.381 1.00 34.31 H new ATOM 0 HA HIS X 72 16.724 -6.802 1.458 1.00 40.10 H new ATOM 0 HB2 HIS X 72 14.858 -4.388 1.577 1.00 73.40 H new ATOM 0 HB3 HIS X 72 15.727 -4.972 0.171 1.00 73.40 H new ATOM 0 HD1 HIS X 72 15.128 -7.666 -0.442 1.00 23.33 H new ATOM 0 HD2 HIS X 72 12.299 -5.446 1.748 1.00 42.33 H new ATOM 0 HE1 HIS X 72 12.884 -8.877 -0.645 1.00 1.21 H new ATOM 1252 N ASN X 73 17.507 -4.870 3.749 1.00 62.51 N ATOM 1253 CA ASN X 73 18.525 -3.907 4.269 1.00 40.03 C ATOM 1254 C ASN X 73 18.546 -2.652 3.397 1.00 50.53 C ATOM 1255 O ASN X 73 19.566 -2.005 3.255 1.00 20.41 O ATOM 1256 CB ASN X 73 19.907 -4.567 4.239 1.00 32.24 C ATOM 1257 CG ASN X 73 19.963 -5.646 5.324 1.00 52.32 C ATOM 1258 OD1 ASN X 73 19.520 -5.371 6.526 1.00 43.45 O flip ATOM 1259 ND2 ASN X 73 20.396 -6.755 5.082 1.00 2.51 N flip ATOM 0 H ASN X 73 17.003 -5.394 4.465 1.00 62.51 H new ATOM 0 HA ASN X 73 18.269 -3.630 5.292 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.094 -5.007 3.259 1.00 32.24 H new ATOM 0 HB3 ASN X 73 20.685 -3.822 4.407 1.00 32.24 H new ATOM 0 HD21 ASN X 73 20.742 -6.975 4.148 1.00 2.51 H new ATOM 0 HD22 ASN X 73 20.413 -7.466 5.813 1.00 2.51 H new ATOM 1266 N VAL X 74 17.439 -2.298 2.812 1.00 63.43 N ATOM 1267 CA VAL X 74 17.421 -1.093 1.939 1.00 33.33 C ATOM 1268 C VAL X 74 17.554 0.164 2.805 1.00 70.51 C ATOM 1269 O VAL X 74 18.350 1.038 2.532 1.00 55.11 O ATOM 1270 CB VAL X 74 16.105 -1.049 1.162 1.00 14.40 C ATOM 1271 CG1 VAL X 74 14.932 -0.945 2.136 1.00 64.23 C ATOM 1272 CG2 VAL X 74 16.104 0.166 0.232 1.00 4.12 C ATOM 0 H VAL X 74 16.549 -2.788 2.899 1.00 63.43 H new ATOM 0 HA VAL X 74 18.253 -1.136 1.236 1.00 33.33 H new ATOM 0 HB VAL X 74 16.004 -1.961 0.574 1.00 14.40 H new ATOM 0 HG11 VAL X 74 13.997 -0.914 1.577 1.00 64.23 H new ATOM 0 HG12 VAL X 74 14.931 -1.811 2.798 1.00 64.23 H new ATOM 0 HG13 VAL X 74 15.031 -0.036 2.729 1.00 64.23 H new ATOM 0 HG21 VAL X 74 15.166 0.199 -0.323 1.00 4.12 H new ATOM 0 HG22 VAL X 74 16.208 1.076 0.822 1.00 4.12 H new ATOM 0 HG23 VAL X 74 16.937 0.090 -0.467 1.00 4.12 H new ATOM 1282 N ASP X 75 16.784 0.252 3.861 1.00 3.11 N ATOM 1283 CA ASP X 75 16.862 1.453 4.743 1.00 25.14 C ATOM 1284 C ASP X 75 16.022 1.230 6.005 1.00 1.24 C ATOM 1285 O ASP X 75 15.687 0.114 6.352 1.00 61.21 O ATOM 1286 CB ASP X 75 16.341 2.679 3.991 1.00 42.25 C ATOM 1287 CG ASP X 75 17.466 3.287 3.147 1.00 44.35 C ATOM 1288 OD1 ASP X 75 18.609 3.195 3.567 1.00 0.10 O ATOM 1289 OD2 ASP X 75 17.168 3.833 2.100 1.00 62.30 O ATOM 0 H ASP X 75 16.107 -0.455 4.148 1.00 3.11 H new ATOM 0 HA ASP X 75 17.901 1.617 5.029 1.00 25.14 H new ATOM 0 HB2 ASP X 75 15.506 2.396 3.350 1.00 42.25 H new ATOM 0 HB3 ASP X 75 15.965 3.418 4.698 1.00 42.25 H new ATOM 1294 N GLU X 76 15.686 2.289 6.697 1.00 41.45 N ATOM 1295 CA GLU X 76 14.862 2.146 7.933 1.00 23.33 C ATOM 1296 C GLU X 76 13.812 3.262 8.000 1.00 42.04 C ATOM 1297 O GLU X 76 12.995 3.414 7.113 1.00 14.43 O ATOM 1298 CB GLU X 76 15.771 2.241 9.164 1.00 54.01 C ATOM 1299 CG GLU X 76 16.668 1.003 9.234 1.00 62.45 C ATOM 1300 CD GLU X 76 17.621 1.130 10.426 1.00 52.23 C ATOM 1301 OE1 GLU X 76 17.552 2.137 11.112 1.00 25.52 O ATOM 1302 OE2 GLU X 76 18.403 0.217 10.634 1.00 11.55 O ATOM 0 H GLU X 76 15.947 3.246 6.459 1.00 41.45 H new ATOM 0 HA GLU X 76 14.359 1.179 7.913 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.381 3.143 9.110 1.00 54.01 H new ATOM 0 HB3 GLU X 76 15.168 2.318 10.069 1.00 54.01 H new ATOM 0 HG2 GLU X 76 16.059 0.105 9.336 1.00 62.45 H new ATOM 0 HG3 GLU X 76 17.236 0.900 8.310 1.00 62.45 H new ATOM 1309 N ASN X 77 13.822 4.031 9.056 1.00 10.10 N ATOM 1310 CA ASN X 77 12.824 5.134 9.199 1.00 15.13 C ATOM 1311 C ASN X 77 12.619 5.860 7.864 1.00 23.04 C ATOM 1312 O ASN X 77 11.515 6.228 7.519 1.00 63.24 O ATOM 1313 CB ASN X 77 13.316 6.136 10.248 1.00 22.42 C ATOM 1314 CG ASN X 77 14.778 6.501 9.973 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.679 5.807 10.401 1.00 40.32 O ATOM 1316 ND2 ASN X 77 15.053 7.573 9.282 1.00 51.52 N ATOM 0 H ASN X 77 14.481 3.943 9.830 1.00 10.10 H new ATOM 0 HA ASN X 77 11.874 4.701 9.512 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.697 7.033 10.225 1.00 22.42 H new ATOM 0 HB3 ASN X 77 13.220 5.708 11.246 1.00 22.42 H new ATOM 0 HD21 ASN X 77 16.024 7.828 9.101 1.00 51.52 H new ATOM 0 HD22 ASN X 77 14.297 8.156 8.922 1.00 51.52 H new ATOM 1323 N ILE X 78 13.665 6.084 7.119 1.00 31.54 N ATOM 1324 CA ILE X 78 13.510 6.818 5.828 1.00 21.51 C ATOM 1325 C ILE X 78 12.375 6.201 5.006 1.00 53.20 C ATOM 1326 O ILE X 78 11.440 6.871 4.620 1.00 50.15 O ATOM 1327 CB ILE X 78 14.810 6.734 5.031 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.992 7.065 5.945 1.00 65.21 C ATOM 1329 CG2 ILE X 78 14.763 7.738 3.878 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.820 5.803 6.193 1.00 54.44 C ATOM 0 H ILE X 78 14.616 5.793 7.345 1.00 31.54 H new ATOM 0 HA ILE X 78 13.275 7.861 6.041 1.00 21.51 H new ATOM 0 HB ILE X 78 14.929 5.726 4.634 1.00 11.31 H new ATOM 0 HG12 ILE X 78 16.613 7.835 5.488 1.00 65.21 H new ATOM 0 HG13 ILE X 78 15.631 7.467 6.892 1.00 65.21 H new ATOM 0 HG21 ILE X 78 15.690 7.680 3.307 1.00 45.30 H new ATOM 0 HG22 ILE X 78 13.921 7.505 3.227 1.00 45.30 H new ATOM 0 HG23 ILE X 78 14.645 8.745 4.277 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.661 6.042 6.844 1.00 54.44 H new ATOM 0 HD12 ILE X 78 16.196 5.046 6.669 1.00 54.44 H new ATOM 0 HD13 ILE X 78 17.194 5.421 5.243 1.00 54.44 H new ATOM 1342 N GLY X 79 12.458 4.929 4.723 1.00 42.22 N ATOM 1343 CA GLY X 79 11.399 4.272 3.902 1.00 32.23 C ATOM 1344 C GLY X 79 10.040 4.377 4.605 1.00 22.41 C ATOM 1345 O GLY X 79 9.028 4.626 3.981 1.00 0.02 O ATOM 0 H GLY X 79 13.214 4.315 5.025 1.00 42.22 H new ATOM 0 HA2 GLY X 79 11.346 4.743 2.920 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.652 3.224 3.740 1.00 32.23 H new ATOM 1349 N ILE X 80 10.009 4.174 5.895 1.00 5.22 N ATOM 1350 CA ILE X 80 8.708 4.228 6.628 1.00 53.43 C ATOM 1351 C ILE X 80 8.088 5.625 6.513 1.00 35.43 C ATOM 1352 O ILE X 80 6.897 5.773 6.328 1.00 20.13 O ATOM 1353 CB ILE X 80 8.943 3.910 8.103 1.00 52.02 C ATOM 1354 CG1 ILE X 80 9.374 2.449 8.253 1.00 22.24 C ATOM 1355 CG2 ILE X 80 7.648 4.140 8.884 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.812 2.189 9.698 1.00 1.44 C ATOM 0 H ILE X 80 10.825 3.974 6.473 1.00 5.22 H new ATOM 0 HA ILE X 80 8.029 3.497 6.189 1.00 53.43 H new ATOM 0 HB ILE X 80 9.727 4.560 8.493 1.00 52.02 H new ATOM 0 HG12 ILE X 80 8.550 1.787 7.987 1.00 22.24 H new ATOM 0 HG13 ILE X 80 10.193 2.229 7.569 1.00 22.24 H new ATOM 0 HG21 ILE X 80 7.813 3.914 9.937 1.00 2.11 H new ATOM 0 HG22 ILE X 80 7.341 5.181 8.780 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.866 3.490 8.492 1.00 2.11 H new ATOM 0 HD11 ILE X 80 10.119 1.148 9.804 1.00 1.44 H new ATOM 0 HD12 ILE X 80 10.649 2.841 9.947 1.00 1.44 H new ATOM 0 HD13 ILE X 80 8.980 2.392 10.372 1.00 1.44 H new ATOM 1368 N LYS X 81 8.885 6.655 6.633 1.00 64.30 N ATOM 1369 CA LYS X 81 8.339 8.042 6.532 1.00 55.13 C ATOM 1370 C LYS X 81 7.631 8.247 5.183 1.00 54.33 C ATOM 1371 O LYS X 81 6.589 8.866 5.109 1.00 3.31 O ATOM 1372 CB LYS X 81 9.484 9.050 6.636 1.00 70.23 C ATOM 1373 CG LYS X 81 10.118 8.987 8.029 1.00 15.45 C ATOM 1374 CD LYS X 81 9.270 9.791 9.020 1.00 32.43 C ATOM 1375 CE LYS X 81 9.939 9.782 10.400 1.00 24.13 C ATOM 1376 NZ LYS X 81 9.130 10.601 11.350 1.00 52.33 N ATOM 0 H LYS X 81 9.890 6.596 6.797 1.00 64.30 H new ATOM 0 HA LYS X 81 7.625 8.190 7.342 1.00 55.13 H new ATOM 0 HB2 LYS X 81 10.236 8.837 5.876 1.00 70.23 H new ATOM 0 HB3 LYS X 81 9.111 10.056 6.443 1.00 70.23 H new ATOM 0 HG2 LYS X 81 10.194 7.951 8.358 1.00 15.45 H new ATOM 0 HG3 LYS X 81 11.132 9.386 7.996 1.00 15.45 H new ATOM 0 HD2 LYS X 81 9.156 10.816 8.667 1.00 32.43 H new ATOM 0 HD3 LYS X 81 8.270 9.364 9.088 1.00 32.43 H new ATOM 0 HE2 LYS X 81 10.026 8.759 10.767 1.00 24.13 H new ATOM 0 HE3 LYS X 81 10.950 10.182 10.328 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 9.583 10.595 12.286 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 9.069 11.579 11.001 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 8.173 10.200 11.426 1.00 52.33 H new ATOM 1390 N ILE X 82 8.197 7.750 4.116 1.00 22.23 N ATOM 1391 CA ILE X 82 7.557 7.917 2.776 1.00 74.43 C ATOM 1392 C ILE X 82 6.265 7.088 2.685 1.00 33.03 C ATOM 1393 O ILE X 82 5.270 7.534 2.151 1.00 10.32 O ATOM 1394 CB ILE X 82 8.531 7.440 1.705 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.516 8.564 1.374 1.00 71.33 C ATOM 1396 CG2 ILE X 82 7.751 7.055 0.444 1.00 42.12 C ATOM 1397 CD1 ILE X 82 10.118 9.117 2.668 1.00 12.50 C ATOM 0 H ILE X 82 9.077 7.234 4.113 1.00 22.23 H new ATOM 0 HA ILE X 82 7.309 8.968 2.629 1.00 74.43 H new ATOM 0 HB ILE X 82 9.081 6.573 2.072 1.00 31.30 H new ATOM 0 HG12 ILE X 82 10.307 8.189 0.725 1.00 71.33 H new ATOM 0 HG13 ILE X 82 9.007 9.359 0.829 1.00 71.33 H new ATOM 0 HG21 ILE X 82 8.446 6.714 -0.323 1.00 42.12 H new ATOM 0 HG22 ILE X 82 7.049 6.255 0.680 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.202 7.922 0.077 1.00 42.12 H new ATOM 0 HD11 ILE X 82 10.819 9.917 2.430 1.00 12.50 H new ATOM 0 HD12 ILE X 82 9.322 9.508 3.301 1.00 12.50 H new ATOM 0 HD13 ILE X 82 10.642 8.320 3.195 1.00 12.50 H new ATOM 1409 N PHE X 83 6.276 5.887 3.192 1.00 64.12 N ATOM 1410 CA PHE X 83 5.054 5.034 3.122 1.00 4.22 C ATOM 1411 C PHE X 83 3.841 5.816 3.642 1.00 64.44 C ATOM 1412 O PHE X 83 2.829 5.926 2.975 1.00 24.24 O ATOM 1413 CB PHE X 83 5.268 3.786 3.979 1.00 63.22 C ATOM 1414 CG PHE X 83 5.699 2.631 3.104 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.768 1.998 2.272 1.00 11.32 C ATOM 1416 CD2 PHE X 83 7.029 2.191 3.130 1.00 73.41 C ATOM 1417 CE1 PHE X 83 5.167 0.926 1.464 1.00 50.33 C ATOM 1418 CE2 PHE X 83 7.427 1.117 2.323 1.00 33.10 C ATOM 1419 CZ PHE X 83 6.496 0.485 1.490 1.00 63.33 C ATOM 0 H PHE X 83 7.079 5.458 3.653 1.00 64.12 H new ATOM 0 HA PHE X 83 4.870 4.744 2.088 1.00 4.22 H new ATOM 0 HB2 PHE X 83 6.025 3.981 4.739 1.00 63.22 H new ATOM 0 HB3 PHE X 83 4.347 3.532 4.504 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.742 2.336 2.253 1.00 11.32 H new ATOM 0 HD2 PHE X 83 7.747 2.680 3.772 1.00 73.41 H new ATOM 0 HE1 PHE X 83 4.449 0.439 0.820 1.00 50.33 H new ATOM 0 HE2 PHE X 83 8.452 0.777 2.344 1.00 33.10 H new ATOM 0 HZ PHE X 83 6.803 -0.343 0.868 1.00 63.33 H new ATOM 1429 N GLN X 84 3.934 6.359 4.823 1.00 3.32 N ATOM 1430 CA GLN X 84 2.797 7.140 5.387 1.00 51.11 C ATOM 1431 C GLN X 84 2.219 8.046 4.297 1.00 4.11 C ATOM 1432 O GLN X 84 1.018 8.139 4.122 1.00 74.53 O ATOM 1433 CB GLN X 84 3.314 7.988 6.552 1.00 23.32 C ATOM 1434 CG GLN X 84 2.140 8.503 7.391 1.00 55.20 C ATOM 1435 CD GLN X 84 1.373 9.554 6.587 1.00 32.22 C ATOM 1436 OE1 GLN X 84 1.946 10.250 5.772 1.00 35.30 O ATOM 1437 NE2 GLN X 84 0.091 9.707 6.787 1.00 64.23 N ATOM 0 H GLN X 84 4.754 6.295 5.426 1.00 3.32 H new ATOM 0 HA GLN X 84 2.016 6.468 5.743 1.00 51.11 H new ATOM 0 HB2 GLN X 84 3.983 7.395 7.175 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.895 8.828 6.171 1.00 23.32 H new ATOM 0 HG2 GLN X 84 1.479 7.679 7.659 1.00 55.20 H new ATOM 0 HG3 GLN X 84 2.505 8.935 8.323 1.00 55.20 H new ATOM 0 HE21 GLN X 84 -0.392 9.124 7.471 1.00 64.23 H new ATOM 0 HE22 GLN X 84 -0.427 10.410 6.260 1.00 64.23 H new ATOM 1446 N ARG X 85 3.067 8.712 3.559 1.00 53.44 N ATOM 1447 CA ARG X 85 2.575 9.598 2.467 1.00 20.42 C ATOM 1448 C ARG X 85 1.705 8.773 1.504 1.00 64.32 C ATOM 1449 O ARG X 85 0.659 9.211 1.065 1.00 20.32 O ATOM 1450 CB ARG X 85 3.776 10.187 1.706 1.00 51.13 C ATOM 1451 CG ARG X 85 3.306 11.208 0.653 1.00 32.50 C ATOM 1452 CD ARG X 85 4.519 11.755 -0.114 1.00 53.45 C ATOM 1453 NE ARG X 85 5.379 12.557 0.805 1.00 74.01 N ATOM 1454 CZ ARG X 85 6.570 12.939 0.408 1.00 41.40 C ATOM 1455 NH1 ARG X 85 6.937 12.729 -0.833 1.00 43.13 N ATOM 1456 NH2 ARG X 85 7.375 13.591 1.209 1.00 33.34 N ATOM 0 H ARG X 85 4.081 8.680 3.667 1.00 53.44 H new ATOM 0 HA ARG X 85 1.983 10.411 2.888 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.457 10.668 2.408 1.00 51.13 H new ATOM 0 HB3 ARG X 85 4.333 9.386 1.220 1.00 51.13 H new ATOM 0 HG2 ARG X 85 2.608 10.736 -0.039 1.00 32.50 H new ATOM 0 HG3 ARG X 85 2.771 12.025 1.138 1.00 32.50 H new ATOM 0 HD2 ARG X 85 5.094 10.932 -0.539 1.00 53.45 H new ATOM 0 HD3 ARG X 85 4.185 12.374 -0.947 1.00 53.45 H new ATOM 0 HE ARG X 85 5.043 12.806 1.735 1.00 74.01 H new ATOM 0 HH11 ARG X 85 6.298 12.271 -1.483 1.00 43.13 H new ATOM 0 HH12 ARG X 85 7.861 13.023 -1.148 1.00 43.13 H new ATOM 0 HH21 ARG X 85 7.080 13.811 2.160 1.00 33.34 H new ATOM 0 HH22 ARG X 85 8.297 13.879 0.882 1.00 33.34 H new ATOM 1470 N LEU X 86 2.133 7.579 1.178 1.00 62.43 N ATOM 1471 CA LEU X 86 1.339 6.717 0.249 1.00 30.43 C ATOM 1472 C LEU X 86 0.012 6.325 0.909 1.00 24.03 C ATOM 1473 O LEU X 86 -0.999 6.178 0.254 1.00 63.14 O ATOM 1474 CB LEU X 86 2.132 5.442 -0.064 1.00 45.15 C ATOM 1475 CG LEU X 86 3.139 5.707 -1.187 1.00 44.52 C ATOM 1476 CD1 LEU X 86 4.189 6.713 -0.714 1.00 44.13 C ATOM 1477 CD2 LEU X 86 3.824 4.401 -1.581 1.00 71.33 C ATOM 0 H LEU X 86 3.001 7.163 1.516 1.00 62.43 H new ATOM 0 HA LEU X 86 1.141 7.270 -0.669 1.00 30.43 H new ATOM 0 HB2 LEU X 86 2.655 5.102 0.830 1.00 45.15 H new ATOM 0 HB3 LEU X 86 1.450 4.644 -0.358 1.00 45.15 H new ATOM 0 HG LEU X 86 2.613 6.115 -2.050 1.00 44.52 H new ATOM 0 HD11 LEU X 86 4.903 6.898 -1.516 1.00 44.13 H new ATOM 0 HD12 LEU X 86 3.700 7.648 -0.441 1.00 44.13 H new ATOM 0 HD13 LEU X 86 4.714 6.311 0.153 1.00 44.13 H new ATOM 0 HD21 LEU X 86 4.540 4.592 -2.380 1.00 71.33 H new ATOM 0 HD22 LEU X 86 4.346 3.989 -0.717 1.00 71.33 H new ATOM 0 HD23 LEU X 86 3.076 3.688 -1.927 1.00 71.33 H new ATOM 1489 N ILE X 87 0.014 6.146 2.204 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.241 5.747 2.909 1.00 64.33 C ATOM 1491 C ILE X 87 -2.300 6.843 2.735 1.00 20.30 C ATOM 1492 O ILE X 87 -3.457 6.568 2.487 1.00 4.44 O ATOM 1493 CB ILE X 87 -0.947 5.551 4.399 1.00 43.52 C ATOM 1494 CG1 ILE X 87 0.230 4.584 4.568 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.182 4.981 5.098 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -0.062 3.271 3.837 1.00 42.22 C ATOM 0 H ILE X 87 0.831 6.259 2.805 1.00 34.44 H new ATOM 0 HA ILE X 87 -1.614 4.815 2.486 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.693 6.513 4.845 1.00 43.52 H new ATOM 0 HG12 ILE X 87 1.141 5.034 4.174 1.00 72.15 H new ATOM 0 HG13 ILE X 87 0.403 4.390 5.627 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -1.969 4.843 6.158 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.017 5.672 4.983 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -2.442 4.021 4.652 1.00 50.02 H new ATOM 0 HD11 ILE X 87 0.780 2.590 3.962 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -0.962 2.816 4.251 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -0.212 3.471 2.776 1.00 42.22 H new ATOM 1508 N GLU X 88 -1.910 8.082 2.859 1.00 74.11 N ATOM 1509 CA GLU X 88 -2.890 9.197 2.710 1.00 13.14 C ATOM 1510 C GLU X 88 -3.472 9.169 1.293 1.00 20.12 C ATOM 1511 O GLU X 88 -4.669 9.246 1.098 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.171 10.528 2.946 1.00 42.41 C ATOM 1513 CG GLU X 88 -1.690 10.617 4.397 1.00 45.01 C ATOM 1514 CD GLU X 88 -2.903 10.656 5.330 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -3.980 10.976 4.857 1.00 73.00 O ATOM 1516 OE2 GLU X 88 -2.733 10.363 6.502 1.00 75.42 O ATOM 0 H GLU X 88 -0.952 8.372 3.058 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.696 9.085 3.435 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.323 10.617 2.268 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -2.843 11.357 2.726 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -1.060 9.761 4.637 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -1.081 11.510 4.536 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.628 9.054 0.303 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.119 9.028 -1.104 1.00 5.44 C ATOM 1525 C HIS X 89 -4.086 7.852 -1.280 1.00 45.14 C ATOM 1526 O HIS X 89 -4.973 7.882 -2.110 1.00 4.14 O ATOM 1527 CB HIS X 89 -1.916 8.891 -2.046 1.00 2.51 C ATOM 1528 CG HIS X 89 -1.826 7.497 -2.605 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -0.931 6.555 -2.109 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -2.478 6.881 -3.646 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -1.065 5.439 -2.849 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -1.993 5.586 -3.796 1.00 4.33 N ATOM 0 H HIS X 89 -1.616 8.977 0.409 1.00 31.35 H new ATOM 0 HA HIS X 89 -3.650 9.950 -1.340 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.004 9.609 -2.861 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -0.999 9.131 -1.508 1.00 2.51 H new ATOM 0 HD2 HIS X 89 -3.248 7.333 -4.254 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -0.492 4.536 -2.695 1.00 44.21 H new ATOM 0 HE2 HIS X 89 -2.286 4.894 -4.486 1.00 4.33 H new ATOM 1541 N ASN X 90 -3.934 6.828 -0.485 1.00 33.24 N ATOM 1542 CA ASN X 90 -4.840 5.650 -0.587 1.00 34.44 C ATOM 1543 C ASN X 90 -6.234 6.056 -0.092 1.00 43.01 C ATOM 1544 O ASN X 90 -7.235 5.774 -0.721 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.286 4.520 0.290 1.00 73.41 C ATOM 1546 CG ASN X 90 -4.841 3.172 -0.181 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -4.100 2.317 -0.621 1.00 52.44 O ATOM 1548 ND2 ASN X 90 -6.126 2.949 -0.114 1.00 43.21 N ATOM 0 H ASN X 90 -3.216 6.757 0.236 1.00 33.24 H new ATOM 0 HA ASN X 90 -4.905 5.308 -1.620 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.197 4.511 0.242 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.557 4.691 1.332 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -6.506 2.057 -0.431 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -6.750 3.667 0.256 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.300 6.726 1.029 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.618 7.170 1.570 1.00 20.42 C ATOM 1557 C LYS X 91 -8.184 8.268 0.667 1.00 63.20 C ATOM 1558 O LYS X 91 -9.348 8.271 0.320 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.422 7.725 2.991 1.00 40.45 C ATOM 1560 CG LYS X 91 -7.090 6.582 3.959 1.00 72.33 C ATOM 1561 CD LYS X 91 -6.725 7.159 5.334 1.00 21.03 C ATOM 1562 CE LYS X 91 -7.898 7.981 5.881 1.00 2.14 C ATOM 1563 NZ LYS X 91 -9.185 7.313 5.526 1.00 62.21 N ATOM 0 H LYS X 91 -5.493 6.986 1.596 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.309 6.328 1.601 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -6.618 8.461 2.995 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -8.326 8.238 3.318 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -7.944 5.910 4.051 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -6.260 5.992 3.570 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -6.482 6.351 6.024 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -5.837 7.786 5.251 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -7.814 8.079 6.963 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -7.873 8.989 5.467 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -9.952 7.703 6.111 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -9.397 7.479 4.521 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -9.105 6.291 5.698 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.356 9.206 0.296 1.00 21.32 N ATOM 1578 CA ALA X 92 -7.817 10.337 -0.564 1.00 42.04 C ATOM 1579 C ALA X 92 -8.670 9.836 -1.734 1.00 33.21 C ATOM 1580 O ALA X 92 -9.822 10.198 -1.869 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.602 11.068 -1.133 1.00 12.50 C ATOM 0 H ALA X 92 -6.370 9.239 0.554 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.419 11.004 0.053 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -6.936 11.894 -1.761 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -5.995 11.456 -0.315 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.007 10.376 -1.729 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.106 9.037 -2.603 1.00 71.31 N ATOM 1588 CA LEU X 93 -8.874 8.580 -3.797 1.00 42.45 C ATOM 1589 C LEU X 93 -9.931 7.545 -3.389 1.00 72.44 C ATOM 1590 O LEU X 93 -10.922 7.360 -4.068 1.00 45.13 O ATOM 1591 CB LEU X 93 -7.893 8.029 -4.849 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.740 6.502 -4.772 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.457 6.064 -3.336 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.013 5.827 -5.280 1.00 74.41 C ATOM 0 H LEU X 93 -7.152 8.683 -2.537 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.410 9.419 -4.241 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.240 8.306 -5.844 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -6.918 8.496 -4.710 1.00 44.10 H new ATOM 0 HG LEU X 93 -6.899 6.204 -5.399 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.352 4.980 -3.300 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.535 6.530 -2.989 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.282 6.370 -2.693 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -8.898 4.745 -5.223 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -9.859 6.135 -4.665 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.191 6.119 -6.315 1.00 74.41 H new ATOM 1606 N GLN X 94 -9.755 6.903 -2.269 1.00 51.33 N ATOM 1607 CA GLN X 94 -10.770 5.916 -1.810 1.00 23.03 C ATOM 1608 C GLN X 94 -12.078 6.656 -1.506 1.00 40.23 C ATOM 1609 O GLN X 94 -13.133 6.313 -2.009 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.265 5.240 -0.534 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.855 3.803 -0.844 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.251 3.158 0.402 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -8.206 3.567 0.871 1.00 53.33 O ATOM 1614 NE2 GLN X 94 -9.872 2.157 0.966 1.00 71.02 N ATOM 0 H GLN X 94 -8.952 7.019 -1.651 1.00 51.33 H new ATOM 0 HA GLN X 94 -10.940 5.165 -2.582 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.416 5.792 -0.129 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.044 5.250 0.228 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.721 3.232 -1.177 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.131 3.789 -1.659 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -10.748 1.814 0.573 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -9.481 1.718 1.800 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.011 7.671 -0.686 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.239 8.438 -0.324 1.00 52.15 C ATOM 1625 C LYS X 95 -13.796 9.138 -1.569 1.00 54.22 C ATOM 1626 O LYS X 95 -14.992 9.182 -1.785 1.00 63.00 O ATOM 1627 CB LYS X 95 -12.888 9.499 0.732 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.507 8.827 2.057 1.00 31.14 C ATOM 1629 CD LYS X 95 -12.170 9.908 3.092 1.00 23.44 C ATOM 1630 CE LYS X 95 -11.828 9.257 4.435 1.00 42.12 C ATOM 1631 NZ LYS X 95 -11.538 10.320 5.444 1.00 42.02 N ATOM 0 H LYS X 95 -11.152 8.004 -0.248 1.00 24.23 H new ATOM 0 HA LYS X 95 -13.985 7.751 0.075 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.061 10.114 0.378 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.738 10.164 0.885 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.330 8.208 2.415 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.652 8.167 1.911 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.329 10.507 2.744 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -13.016 10.585 3.211 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -12.658 8.637 4.773 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -10.965 8.601 4.324 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -11.306 9.878 6.356 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -10.733 10.894 5.122 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -12.374 10.929 5.557 1.00 42.02 H new ATOM 1645 N GLN X 96 -12.941 9.694 -2.385 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.420 10.386 -3.616 1.00 62.05 C ATOM 1647 C GLN X 96 -14.011 9.356 -4.584 1.00 13.43 C ATOM 1648 O GLN X 96 -14.998 9.609 -5.248 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.242 11.108 -4.282 1.00 64.24 C ATOM 1650 CG GLN X 96 -11.746 12.239 -3.373 1.00 13.52 C ATOM 1651 CD GLN X 96 -12.822 13.320 -3.256 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -13.502 13.411 -2.253 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -13.007 14.152 -4.245 1.00 43.13 N ATOM 0 H GLN X 96 -11.930 9.699 -2.252 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.188 11.113 -3.353 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -11.433 10.403 -4.475 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -12.549 11.512 -5.246 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -11.505 11.845 -2.386 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -10.829 12.668 -3.778 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -12.437 14.077 -5.088 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -13.721 14.877 -4.175 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.414 8.199 -4.663 1.00 45.25 N ATOM 1663 CA TYR X 97 -13.923 7.141 -5.585 1.00 62.35 C ATOM 1664 C TYR X 97 -15.320 6.696 -5.142 1.00 71.21 C ATOM 1665 O TYR X 97 -16.252 6.673 -5.922 1.00 32.33 O ATOM 1666 CB TYR X 97 -12.967 5.943 -5.544 1.00 1.13 C ATOM 1667 CG TYR X 97 -13.599 4.752 -6.227 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -13.609 4.673 -7.624 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.192 3.737 -5.464 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.203 3.576 -8.260 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -14.786 2.640 -6.101 1.00 34.51 C ATOM 1672 CZ TYR X 97 -14.796 2.562 -7.498 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.386 1.483 -8.124 1.00 3.11 O ATOM 0 H TYR X 97 -12.588 7.938 -4.124 1.00 45.25 H new ATOM 0 HA TYR X 97 -13.980 7.536 -6.599 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.029 6.199 -6.036 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -12.727 5.694 -4.510 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.158 5.459 -8.212 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.191 3.801 -4.386 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.204 3.512 -9.338 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.237 1.854 -5.513 1.00 34.51 H new ATOM 0 HH TYR X 97 -15.748 0.871 -7.449 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.469 6.337 -3.893 1.00 51.53 N ATOM 1684 CA LEU X 98 -16.799 5.865 -3.400 1.00 52.20 C ATOM 1685 C LEU X 98 -17.843 6.974 -3.587 1.00 31.31 C ATOM 1686 O LEU X 98 -18.984 6.715 -3.915 1.00 11.44 O ATOM 1687 CB LEU X 98 -16.707 5.520 -1.909 1.00 5.51 C ATOM 1688 CG LEU X 98 -15.884 4.244 -1.692 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.702 4.019 -0.189 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.615 3.038 -2.290 1.00 2.34 C ATOM 0 H LEU X 98 -14.728 6.350 -3.193 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.092 4.981 -3.966 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.250 6.348 -1.367 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -17.708 5.385 -1.500 1.00 5.51 H new ATOM 0 HG LEU X 98 -14.915 4.355 -2.179 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.118 3.114 -0.025 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.180 4.871 0.246 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.678 3.912 0.284 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.022 2.137 -2.130 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.585 2.924 -1.806 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -16.759 3.193 -3.359 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.460 8.206 -3.367 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.420 9.341 -3.545 1.00 3.22 C ATOM 1704 C GLU X 99 -18.759 9.518 -5.026 1.00 21.54 C ATOM 1705 O GLU X 99 -19.882 9.808 -5.385 1.00 51.21 O ATOM 1706 CB GLU X 99 -17.779 10.634 -3.029 1.00 41.04 C ATOM 1707 CG GLU X 99 -17.680 10.587 -1.500 1.00 60.54 C ATOM 1708 CD GLU X 99 -19.089 10.609 -0.896 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -19.999 11.054 -1.578 1.00 11.11 O ATOM 1710 OE2 GLU X 99 -19.234 10.180 0.236 1.00 53.14 O ATOM 0 H GLU X 99 -16.522 8.477 -3.071 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.331 9.122 -2.988 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -16.787 10.758 -3.464 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -18.373 11.494 -3.338 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -17.152 9.686 -1.187 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -17.103 11.437 -1.136 1.00 60.54 H new ATOM 1717 N GLU X 100 -17.790 9.363 -5.886 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.049 9.540 -7.344 1.00 12.32 C ATOM 1719 C GLU X 100 -18.824 8.338 -7.900 1.00 22.21 C ATOM 1720 O GLU X 100 -19.466 8.428 -8.927 1.00 2.34 O ATOM 1721 CB GLU X 100 -16.713 9.696 -8.075 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.248 8.348 -8.636 1.00 22.13 C ATOM 1723 CD GLU X 100 -16.948 8.074 -9.967 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -17.714 8.921 -10.397 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -16.705 7.023 -10.538 1.00 22.23 O ATOM 0 H GLU X 100 -16.829 9.121 -5.642 1.00 61.42 H new ATOM 0 HA GLU X 100 -18.654 10.434 -7.498 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -16.817 10.417 -8.885 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -15.961 10.091 -7.391 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.167 8.356 -8.777 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -16.471 7.551 -7.926 1.00 22.13 H new ATOM 1732 N THR X 101 -18.787 7.222 -7.225 1.00 61.24 N ATOM 1733 CA THR X 101 -19.548 6.036 -7.709 1.00 12.42 C ATOM 1734 C THR X 101 -20.989 6.114 -7.186 1.00 22.32 C ATOM 1735 O THR X 101 -21.895 5.518 -7.737 1.00 34.52 O ATOM 1736 CB THR X 101 -18.889 4.760 -7.191 1.00 52.25 C ATOM 1737 OG1 THR X 101 -18.524 4.940 -5.830 1.00 14.03 O ATOM 1738 CG2 THR X 101 -17.643 4.453 -8.020 1.00 61.11 C ATOM 0 H THR X 101 -18.264 7.080 -6.361 1.00 61.24 H new ATOM 0 HA THR X 101 -19.552 6.024 -8.799 1.00 12.42 H new ATOM 0 HB THR X 101 -19.589 3.928 -7.274 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.106 5.614 -5.422 1.00 14.03 H new ATOM 0 HG21 THR X 101 -17.174 3.542 -7.648 1.00 61.11 H new ATOM 0 HG22 THR X 101 -17.925 4.316 -9.064 1.00 61.11 H new ATOM 0 HG23 THR X 101 -16.939 5.282 -7.940 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.208 6.855 -6.132 1.00 21.54 N ATOM 1747 CA LEU X 102 -22.589 6.988 -5.580 1.00 51.35 C ATOM 1748 C LEU X 102 -23.264 8.223 -6.193 1.00 34.15 C ATOM 1749 O LEU X 102 -24.466 8.388 -6.116 1.00 25.44 O ATOM 1750 CB LEU X 102 -22.528 7.141 -4.055 1.00 11.21 C ATOM 1751 CG LEU X 102 -21.958 5.865 -3.427 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -21.699 6.096 -1.938 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -22.969 4.723 -3.587 1.00 42.04 C ATOM 0 H LEU X 102 -20.489 7.375 -5.629 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.164 6.095 -5.827 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -21.906 7.996 -3.791 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -23.525 7.338 -3.660 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.024 5.606 -3.925 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.294 5.187 -1.494 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -20.984 6.910 -1.815 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -22.634 6.356 -1.442 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -22.565 3.814 -3.141 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -23.901 4.989 -3.088 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.161 4.553 -4.646 1.00 42.04 H new ATOM 1765 N GLU X 103 -22.498 9.082 -6.810 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.080 10.306 -7.444 1.00 23.43 C ATOM 1767 C GLU X 103 -22.853 10.261 -8.956 1.00 3.04 C ATOM 1768 O GLU X 103 -21.823 9.824 -9.439 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.360 11.538 -6.898 1.00 51.34 C ATOM 1770 CG GLU X 103 -22.690 11.737 -5.419 1.00 51.21 C ATOM 1771 CD GLU X 103 -21.910 12.943 -4.895 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -21.209 13.557 -5.679 1.00 62.22 O ATOM 1773 OE2 GLU X 103 -22.026 13.227 -3.714 1.00 13.43 O ATOM 0 H GLU X 103 -21.487 8.990 -6.904 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.147 10.349 -7.225 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.283 11.424 -7.025 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -22.656 12.421 -7.465 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -23.761 11.896 -5.290 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -22.429 10.844 -4.851 1.00 51.21 H new ATOM 1780 N HIS X 104 -23.825 10.711 -9.697 1.00 14.22 N ATOM 1781 CA HIS X 104 -23.715 10.724 -11.183 1.00 20.33 C ATOM 1782 C HIS X 104 -22.733 11.812 -11.592 1.00 24.20 C ATOM 1783 O HIS X 104 -23.167 12.956 -11.705 1.00 0.00 O ATOM 1784 CB HIS X 104 -25.091 11.014 -11.808 1.00 12.13 C ATOM 1785 CG HIS X 104 -26.033 9.866 -11.536 1.00 24.42 C ATOM 1786 ND1 HIS X 104 -26.894 9.852 -10.445 1.00 14.11 N ATOM 1787 CD2 HIS X 104 -26.238 8.668 -12.184 1.00 75.42 C ATOM 1788 CE1 HIS X 104 -27.560 8.681 -10.464 1.00 41.30 C ATOM 1789 NE2 HIS X 104 -27.197 7.927 -11.502 1.00 44.03 N ATOM 1790 OXT HIS X 104 -21.565 11.485 -11.793 1.00 0.00 O ATOM 0 H HIS X 104 -24.704 11.076 -9.331 1.00 14.22 H new ATOM 0 HA HIS X 104 -23.365 9.753 -11.533 1.00 20.33 H new ATOM 0 HB2 HIS X 104 -25.500 11.936 -11.396 1.00 12.13 H new ATOM 0 HB3 HIS X 104 -24.987 11.164 -12.883 1.00 12.13 H new ATOM 0 HD2 HIS X 104 -25.731 8.352 -13.084 1.00 75.42 H new ATOM 0 HE1 HIS X 104 -28.296 8.389 -9.730 1.00 41.30 H new ATOM 0 HE2 HIS X 104 -27.549 7.001 -11.745 1.00 44.03 H new TER 1799 HIS X 104 HETATM 1800 C1 TSA X 501 -4.813 1.091 2.710 1.00 32.37 C HETATM 1801 C2 TSA X 501 -5.145 0.264 3.959 1.00 32.49 C HETATM 1802 C3 TSA X 501 -6.082 0.708 4.820 1.00 33.06 C HETATM 1803 C4 TSA X 501 -7.308 1.521 4.422 1.00 31.51 C HETATM 1804 O5 TSA X 501 -7.303 2.688 5.216 1.00 32.28 O HETATM 1805 C5 TSA X 501 -7.197 1.892 2.956 1.00 31.33 C HETATM 1806 C6 TSA X 501 -5.731 2.329 2.731 1.00 33.70 C HETATM 1807 O7 TSA X 501 -7.434 0.734 2.169 1.00 32.90 O HETATM 1808 C8 TSA X 501 -6.607 0.314 1.082 1.00 33.66 C HETATM 1809 C9 TSA X 501 -5.125 0.536 1.374 1.00 29.99 C HETATM 1810 C10 TSA X 501 -3.309 1.395 2.606 1.00 32.05 C HETATM 1811 O1 TSA X 501 -2.970 2.584 2.516 1.00 32.04 O HETATM 1812 O2 TSA X 501 -2.482 0.464 2.607 1.00 32.31 O HETATM 1813 C11 TSA X 501 -6.864 -1.153 0.741 1.00 36.08 C HETATM 1814 O3 TSA X 501 -5.955 -2.009 0.733 1.00 36.14 O HETATM 1815 O4 TSA X 501 -8.039 -1.431 0.470 1.00 39.20 O HETATM 0 HO5 TSA X 501 -6.387 2.885 5.502 1.00 32.28 H new HETATM 0 H92 TSA X 501 -4.721 1.209 0.617 1.00 29.99 H new HETATM 0 H91 TSA X 501 -4.605 -0.416 1.265 1.00 29.99 H new HETATM 0 H8 TSA X 501 -6.871 0.929 0.222 1.00 33.66 H new HETATM 0 H62 TSA X 501 -5.420 3.010 3.523 1.00 33.70 H new HETATM 0 H61 TSA X 501 -5.645 2.873 1.790 1.00 33.70 H new HETATM 0 H5 TSA X 501 -7.908 2.673 2.688 1.00 31.33 H new HETATM 0 H4 TSA X 501 -8.230 0.958 4.572 1.00 31.51 H new HETATM 0 H3 TSA X 501 -5.954 0.469 5.876 1.00 33.06 H new HETATM 0 H2 TSA X 501 -4.627 -0.676 4.149 1.00 32.49 H new