USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1091 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot 180:sc= -1.96 USER MOD Set 1.2: A 126 MET CE :methyl 180:sc= -3.04 (180deg=-1.28) USER MOD Set 2.1: A 90 TYR OH : rot 165:sc= -0.48 USER MOD Set 2.2: A 95 GLN : amide:sc= -2.31 K(o=-2.8,f=-7.3!) USER MOD Set 3.1: A 65 CYS SG : rot -110:sc= -0.483 USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -169:sc= 0 (180deg=-0.00699) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00235 USER MOD Single : A 11 TYR OH : rot 144:sc= 1.18 USER MOD Single : A 14 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0807 USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.0457 (180deg=-0.361) USER MOD Single : A 19 ASN : amide:sc= -0.753 K(o=-0.75,f=-7.2!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -170:sc= -3.11! USER MOD Single : A 25 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.044) USER MOD Single : A 29 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.28) USER MOD Single : A 30 ASN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 31 CYS SG : rot 37:sc= -1.89 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.9!) USER MOD Single : A 43 SER OG : rot -154:sc= 0.084 USER MOD Single : A 44 THR OG1 : rot 18:sc= 0.368! USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot -47:sc= -0.137 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -87:sc= 0.964 USER MOD Single : A 67 SER OG : rot 21:sc= 0.282 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -4.14! C(o=-5.2!,f=-4.1!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.206 USER MOD Single : A 97 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-5.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 4:sc= 1.12 USER MOD Single : A 118 HIS : no HD1:sc= -2.03 K(o=-2,f=-2.7) USER MOD Single : A 125 THR OG1 : rot -88:sc= -4.95! USER MOD Single : A 148 MET CE :methyl -149:sc= -0.0733 (180deg=-0.603) USER MOD Single : A 150 GLN : amide:sc= -0.701 K(o=-0.7,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.078 1.504 23.076 1.00 0.00 N ATOM 2 CA GLY A 1 0.445 1.985 21.767 1.00 0.00 C ATOM 3 C GLY A 1 1.722 1.277 21.356 1.00 0.00 C ATOM 4 O GLY A 1 2.815 1.816 21.529 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.038 1.876 23.224 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.106 0.464 23.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.544 1.835 23.841 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.314 1.834 20.999 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.631 3.057 21.826 1.00 0.00 H new ATOM 10 N PRO A 2 1.615 0.058 20.800 1.00 0.00 N ATOM 11 CA PRO A 2 2.782 -0.716 20.365 1.00 0.00 C ATOM 12 C PRO A 2 3.461 -0.103 19.144 1.00 0.00 C ATOM 13 O PRO A 2 2.812 0.175 18.135 1.00 0.00 O ATOM 14 CB PRO A 2 2.193 -2.085 20.016 1.00 0.00 C ATOM 15 CG PRO A 2 0.769 -1.811 19.679 1.00 0.00 C ATOM 16 CD PRO A 2 0.351 -0.660 20.553 1.00 0.00 C ATOM 0 HA PRO A 2 3.554 -0.753 21.133 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.718 -2.539 19.176 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.275 -2.777 20.855 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.659 -1.560 18.624 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.148 -2.688 19.865 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.382 -0.024 20.057 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.103 -1.005 21.482 1.00 0.00 H new ATOM 24 N TYR A 3 4.769 0.107 19.244 1.00 0.00 N ATOM 25 CA TYR A 3 5.536 0.688 18.148 1.00 0.00 C ATOM 26 C TYR A 3 6.346 -0.381 17.423 1.00 0.00 C ATOM 27 O TYR A 3 7.251 -0.984 17.998 1.00 0.00 O ATOM 28 CB TYR A 3 6.464 1.785 18.675 1.00 0.00 C ATOM 29 CG TYR A 3 6.249 3.129 18.017 1.00 0.00 C ATOM 30 CD1 TYR A 3 5.320 4.030 18.524 1.00 0.00 C ATOM 31 CD2 TYR A 3 6.974 3.498 16.891 1.00 0.00 C ATOM 32 CE1 TYR A 3 5.120 5.260 17.925 1.00 0.00 C ATOM 33 CE2 TYR A 3 6.780 4.726 16.288 1.00 0.00 C ATOM 34 CZ TYR A 3 5.851 5.602 16.809 1.00 0.00 C ATOM 35 OH TYR A 3 5.655 6.826 16.211 1.00 0.00 O ATOM 0 H TYR A 3 5.320 -0.116 20.073 1.00 0.00 H new ATOM 0 HA TYR A 3 4.835 1.126 17.437 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.316 1.889 19.750 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.499 1.477 18.524 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.745 3.765 19.399 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.701 2.814 16.480 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.394 5.949 18.330 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.353 4.998 15.414 1.00 0.00 H new ATOM 0 HH TYR A 3 6.250 6.911 15.437 1.00 0.00 H new ATOM 45 N GLY A 4 6.013 -0.611 16.157 1.00 0.00 N ATOM 46 CA GLY A 4 6.719 -1.608 15.374 1.00 0.00 C ATOM 47 C GLY A 4 8.200 -1.306 15.252 1.00 0.00 C ATOM 48 O GLY A 4 9.039 -2.179 15.475 1.00 0.00 O ATOM 0 H GLY A 4 5.267 -0.125 15.660 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.588 -2.587 15.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.279 -1.662 14.378 1.00 0.00 H new ATOM 52 N HIS A 5 8.521 -0.065 14.898 1.00 0.00 N ATOM 53 CA HIS A 5 9.911 0.353 14.747 1.00 0.00 C ATOM 54 C HIS A 5 10.594 -0.419 13.622 1.00 0.00 C ATOM 55 O HIS A 5 10.368 -1.618 13.453 1.00 0.00 O ATOM 56 CB HIS A 5 10.673 0.151 16.059 1.00 0.00 C ATOM 57 CG HIS A 5 11.543 1.313 16.431 1.00 0.00 C ATOM 58 ND1 HIS A 5 12.487 1.847 15.581 1.00 0.00 N ATOM 59 CD2 HIS A 5 11.605 2.043 17.568 1.00 0.00 C ATOM 60 CE1 HIS A 5 13.095 2.857 16.180 1.00 0.00 C ATOM 61 NE2 HIS A 5 12.577 2.996 17.387 1.00 0.00 N ATOM 0 H HIS A 5 7.838 0.669 14.710 1.00 0.00 H new ATOM 0 HA HIS A 5 9.919 1.412 14.491 1.00 0.00 H new ATOM 0 HB2 HIS A 5 9.957 -0.028 16.861 1.00 0.00 H new ATOM 0 HB3 HIS A 5 11.291 -0.743 15.977 1.00 0.00 H new ATOM 0 HD2 HIS A 5 11.002 1.903 18.453 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.881 3.464 15.755 1.00 0.00 H new ATOM 0 HE2 HIS A 5 12.854 3.698 18.074 1.00 0.00 H new ATOM 70 N GLN A 6 11.430 0.274 12.857 1.00 0.00 N ATOM 71 CA GLN A 6 12.148 -0.346 11.749 1.00 0.00 C ATOM 72 C GLN A 6 11.176 -0.896 10.711 1.00 0.00 C ATOM 73 O GLN A 6 10.797 -2.067 10.759 1.00 0.00 O ATOM 74 CB GLN A 6 13.054 -1.467 12.264 1.00 0.00 C ATOM 75 CG GLN A 6 14.407 -1.520 11.574 1.00 0.00 C ATOM 76 CD GLN A 6 15.332 -2.553 12.186 1.00 0.00 C ATOM 77 OE1 GLN A 6 15.102 -3.757 12.068 1.00 0.00 O ATOM 78 NE2 GLN A 6 16.386 -2.088 12.844 1.00 0.00 N ATOM 0 H GLN A 6 11.628 1.267 12.984 1.00 0.00 H new ATOM 0 HA GLN A 6 12.763 0.418 11.274 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.207 -1.336 13.335 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.548 -2.423 12.128 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.264 -1.746 10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.878 -0.538 11.629 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.538 -1.082 12.917 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.044 -2.736 13.277 1.00 0.00 H new ATOM 87 N SER A 7 10.777 -0.045 9.771 1.00 0.00 N ATOM 88 CA SER A 7 9.851 -0.445 8.719 1.00 0.00 C ATOM 89 C SER A 7 8.514 -0.888 9.306 1.00 0.00 C ATOM 90 O SER A 7 8.326 -0.883 10.523 1.00 0.00 O ATOM 91 CB SER A 7 10.453 -1.578 7.884 1.00 0.00 C ATOM 92 OG SER A 7 11.859 -1.438 7.773 1.00 0.00 O ATOM 0 H SER A 7 11.081 0.927 9.717 1.00 0.00 H new ATOM 0 HA SER A 7 9.677 0.419 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.215 -2.538 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.005 -1.579 6.890 1.00 0.00 H new ATOM 0 HG SER A 7 12.220 -2.175 7.237 1.00 0.00 H new ATOM 98 N GLY A 8 7.589 -1.272 8.432 1.00 0.00 N ATOM 99 CA GLY A 8 6.281 -1.713 8.879 1.00 0.00 C ATOM 100 C GLY A 8 5.551 -2.517 7.821 1.00 0.00 C ATOM 101 O GLY A 8 5.470 -3.743 7.910 1.00 0.00 O ATOM 0 H GLY A 8 7.723 -1.285 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.392 -2.318 9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.681 -0.845 9.151 1.00 0.00 H new ATOM 105 N ALA A 9 5.021 -1.827 6.816 1.00 0.00 N ATOM 106 CA ALA A 9 4.298 -2.486 5.736 1.00 0.00 C ATOM 107 C ALA A 9 3.085 -3.243 6.265 1.00 0.00 C ATOM 108 O ALA A 9 2.686 -3.068 7.417 1.00 0.00 O ATOM 109 CB ALA A 9 5.223 -3.429 4.984 1.00 0.00 C ATOM 0 H ALA A 9 5.079 -0.812 6.728 1.00 0.00 H new ATOM 0 HA ALA A 9 3.941 -1.718 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.671 -3.915 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.055 -2.864 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.607 -4.185 5.669 1.00 0.00 H new ATOM 115 N VAL A 10 2.504 -4.086 5.418 1.00 0.00 N ATOM 116 CA VAL A 10 1.338 -4.871 5.804 1.00 0.00 C ATOM 117 C VAL A 10 1.567 -6.357 5.535 1.00 0.00 C ATOM 118 O VAL A 10 1.553 -6.800 4.386 1.00 0.00 O ATOM 119 CB VAL A 10 0.072 -4.406 5.053 1.00 0.00 C ATOM 120 CG1 VAL A 10 0.257 -4.544 3.550 1.00 0.00 C ATOM 121 CG2 VAL A 10 -1.149 -5.184 5.524 1.00 0.00 C ATOM 0 H VAL A 10 2.821 -4.243 4.461 1.00 0.00 H new ATOM 0 HA VAL A 10 1.189 -4.718 6.873 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.091 -3.352 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.647 -4.211 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.101 -3.933 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.450 -5.588 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.030 -4.841 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.998 -6.247 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.294 -5.022 6.592 1.00 0.00 H new ATOM 131 N TYR A 11 1.782 -7.121 6.602 1.00 0.00 N ATOM 132 CA TYR A 11 2.016 -8.555 6.475 1.00 0.00 C ATOM 133 C TYR A 11 0.768 -9.347 6.858 1.00 0.00 C ATOM 134 O TYR A 11 0.195 -9.144 7.927 1.00 0.00 O ATOM 135 CB TYR A 11 3.221 -8.982 7.326 1.00 0.00 C ATOM 136 CG TYR A 11 2.902 -9.256 8.782 1.00 0.00 C ATOM 137 CD1 TYR A 11 2.454 -8.243 9.623 1.00 0.00 C ATOM 138 CD2 TYR A 11 3.059 -10.529 9.316 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.168 -8.493 10.951 1.00 0.00 C ATOM 140 CE2 TYR A 11 2.776 -10.786 10.644 1.00 0.00 C ATOM 141 CZ TYR A 11 2.331 -9.765 11.457 1.00 0.00 C ATOM 142 OH TYR A 11 2.049 -10.018 12.780 1.00 0.00 O ATOM 0 H TYR A 11 1.799 -6.772 7.560 1.00 0.00 H new ATOM 0 HA TYR A 11 2.242 -8.773 5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.658 -9.880 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.980 -8.201 7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.328 -7.244 9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.408 -11.331 8.683 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.818 -7.696 11.590 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.903 -11.782 11.043 1.00 0.00 H new ATOM 0 HH TYR A 11 1.655 -10.911 12.865 1.00 0.00 H new ATOM 152 N VAL A 12 0.348 -10.239 5.965 1.00 0.00 N ATOM 153 CA VAL A 12 -0.839 -11.053 6.195 1.00 0.00 C ATOM 154 C VAL A 12 -0.506 -12.544 6.212 1.00 0.00 C ATOM 155 O VAL A 12 0.204 -13.042 5.337 1.00 0.00 O ATOM 156 CB VAL A 12 -1.901 -10.784 5.111 1.00 0.00 C ATOM 157 CG1 VAL A 12 -3.191 -11.531 5.411 1.00 0.00 C ATOM 158 CG2 VAL A 12 -2.159 -9.292 4.987 1.00 0.00 C ATOM 0 H VAL A 12 0.814 -10.416 5.075 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.234 -10.774 7.172 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.518 -11.152 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.922 -11.323 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.992 -12.602 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.585 -11.204 6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.911 -9.115 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.517 -8.904 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.234 -8.784 4.713 1.00 0.00 H new ATOM 168 N GLY A 13 -1.028 -13.249 7.213 1.00 0.00 N ATOM 169 CA GLY A 13 -0.784 -14.679 7.331 1.00 0.00 C ATOM 170 C GLY A 13 0.688 -15.035 7.248 1.00 0.00 C ATOM 171 O GLY A 13 1.519 -14.438 7.932 1.00 0.00 O ATOM 0 H GLY A 13 -1.617 -12.855 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.186 -15.034 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.324 -15.201 6.541 1.00 0.00 H new ATOM 175 N ASN A 14 1.010 -16.010 6.401 1.00 0.00 N ATOM 176 CA ASN A 14 2.392 -16.445 6.223 1.00 0.00 C ATOM 177 C ASN A 14 3.070 -15.672 5.093 1.00 0.00 C ATOM 178 O ASN A 14 4.094 -16.101 4.564 1.00 0.00 O ATOM 179 CB ASN A 14 2.441 -17.945 5.931 1.00 0.00 C ATOM 180 CG ASN A 14 2.113 -18.783 7.150 1.00 0.00 C ATOM 181 OD1 ASN A 14 1.474 -18.310 8.090 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.551 -20.037 7.142 1.00 0.00 N ATOM 0 H ASN A 14 0.333 -16.513 5.828 1.00 0.00 H new ATOM 0 HA ASN A 14 2.931 -16.242 7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.737 -18.180 5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.434 -18.209 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.361 -20.649 7.936 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.077 -20.388 6.342 1.00 0.00 H new ATOM 189 N TYR A 15 2.492 -14.530 4.734 1.00 0.00 N ATOM 190 CA TYR A 15 3.032 -13.688 3.674 1.00 0.00 C ATOM 191 C TYR A 15 3.150 -12.246 4.158 1.00 0.00 C ATOM 192 O TYR A 15 2.303 -11.768 4.912 1.00 0.00 O ATOM 193 CB TYR A 15 2.124 -13.729 2.444 1.00 0.00 C ATOM 194 CG TYR A 15 2.223 -15.002 1.638 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.431 -15.670 1.488 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.098 -15.536 1.024 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.513 -16.834 0.750 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.172 -16.700 0.288 1.00 0.00 C ATOM 199 CZ TYR A 15 2.382 -17.346 0.153 1.00 0.00 C ATOM 200 OH TYR A 15 2.462 -18.509 -0.581 1.00 0.00 O ATOM 0 H TYR A 15 1.643 -14.165 5.166 1.00 0.00 H new ATOM 0 HA TYR A 15 4.018 -14.067 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.091 -13.596 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.368 -12.885 1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.320 -15.273 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.149 -15.031 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.460 -17.341 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.286 -17.103 -0.180 1.00 0.00 H new ATOM 0 HH TYR A 15 1.576 -18.735 -0.934 1.00 0.00 H new ATOM 210 N LYS A 16 4.190 -11.555 3.716 1.00 0.00 N ATOM 211 CA LYS A 16 4.395 -10.165 4.103 1.00 0.00 C ATOM 212 C LYS A 16 4.594 -9.290 2.872 1.00 0.00 C ATOM 213 O LYS A 16 5.580 -9.441 2.151 1.00 0.00 O ATOM 214 CB LYS A 16 5.605 -10.043 5.031 1.00 0.00 C ATOM 215 CG LYS A 16 5.839 -8.629 5.545 1.00 0.00 C ATOM 216 CD LYS A 16 7.179 -8.075 5.084 1.00 0.00 C ATOM 217 CE LYS A 16 7.979 -7.508 6.246 1.00 0.00 C ATOM 218 NZ LYS A 16 8.310 -8.552 7.255 1.00 0.00 N ATOM 0 H LYS A 16 4.903 -11.931 3.091 1.00 0.00 H new ATOM 0 HA LYS A 16 3.506 -9.824 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.469 -10.712 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.495 -10.379 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.037 -7.978 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.800 -8.627 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.752 -8.864 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.015 -7.296 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.900 -7.062 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.410 -6.710 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.164 -8.271 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.516 -8.657 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.481 -9.458 6.774 1.00 0.00 H new ATOM 232 N VAL A 17 3.657 -8.374 2.628 1.00 0.00 N ATOM 233 CA VAL A 17 3.765 -7.492 1.473 1.00 0.00 C ATOM 234 C VAL A 17 4.228 -6.097 1.890 1.00 0.00 C ATOM 235 O VAL A 17 3.591 -5.430 2.707 1.00 0.00 O ATOM 236 CB VAL A 17 2.431 -7.410 0.668 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.546 -8.616 0.952 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.666 -6.124 0.952 1.00 0.00 C ATOM 0 H VAL A 17 2.829 -8.227 3.205 1.00 0.00 H new ATOM 0 HA VAL A 17 4.517 -7.925 0.813 1.00 0.00 H new ATOM 0 HB VAL A 17 2.702 -7.410 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.623 -8.533 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.071 -9.528 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.310 -8.652 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.745 -6.112 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.424 -6.071 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.280 -5.267 0.677 1.00 0.00 H new ATOM 248 N VAL A 18 5.349 -5.668 1.319 1.00 0.00 N ATOM 249 CA VAL A 18 5.916 -4.358 1.616 1.00 0.00 C ATOM 250 C VAL A 18 6.383 -3.660 0.341 1.00 0.00 C ATOM 251 O VAL A 18 6.608 -4.305 -0.684 1.00 0.00 O ATOM 252 CB VAL A 18 7.101 -4.472 2.599 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.179 -5.379 2.035 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.674 -3.100 2.918 1.00 0.00 C ATOM 0 H VAL A 18 5.885 -6.213 0.644 1.00 0.00 H new ATOM 0 HA VAL A 18 5.128 -3.765 2.079 1.00 0.00 H new ATOM 0 HB VAL A 18 6.730 -4.911 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.005 -5.446 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.766 -6.373 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.542 -4.970 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.508 -3.206 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.025 -2.630 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.901 -2.479 3.371 1.00 0.00 H new ATOM 264 N ASN A 19 6.540 -2.342 0.416 1.00 0.00 N ATOM 265 CA ASN A 19 6.998 -1.560 -0.725 1.00 0.00 C ATOM 266 C ASN A 19 8.376 -2.035 -1.179 1.00 0.00 C ATOM 267 O ASN A 19 9.225 -2.376 -0.355 1.00 0.00 O ATOM 268 CB ASN A 19 7.047 -0.074 -0.368 1.00 0.00 C ATOM 269 CG ASN A 19 6.875 0.820 -1.581 1.00 0.00 C ATOM 270 OD1 ASN A 19 7.236 0.447 -2.697 1.00 0.00 O ATOM 271 ND2 ASN A 19 6.318 2.006 -1.366 1.00 0.00 N ATOM 0 H ASN A 19 6.356 -1.794 1.256 1.00 0.00 H new ATOM 0 HA ASN A 19 6.292 -1.701 -1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.264 0.148 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.999 0.150 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.174 2.650 -2.144 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.034 2.273 -0.423 1.00 0.00 H new ATOM 278 N ARG A 20 8.592 -2.063 -2.490 1.00 0.00 N ATOM 279 CA ARG A 20 9.868 -2.505 -3.045 1.00 0.00 C ATOM 280 C ARG A 20 11.021 -1.682 -2.481 1.00 0.00 C ATOM 281 O ARG A 20 12.037 -2.228 -2.054 1.00 0.00 O ATOM 282 CB ARG A 20 9.847 -2.398 -4.570 1.00 0.00 C ATOM 283 CG ARG A 20 10.985 -3.142 -5.249 1.00 0.00 C ATOM 284 CD ARG A 20 12.142 -2.212 -5.574 1.00 0.00 C ATOM 285 NE ARG A 20 13.375 -2.947 -5.849 1.00 0.00 N ATOM 286 CZ ARG A 20 13.624 -3.572 -6.998 1.00 0.00 C ATOM 287 NH1 ARG A 20 12.731 -3.552 -7.979 1.00 0.00 N ATOM 288 NH2 ARG A 20 14.770 -4.217 -7.166 1.00 0.00 N ATOM 0 H ARG A 20 7.902 -1.785 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 20 10.018 -3.547 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.898 -2.787 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.892 -1.346 -4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.334 -3.946 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.622 -3.607 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.884 -1.601 -6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.305 -1.530 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 20 14.086 -2.983 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.848 -3.056 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.927 -4.033 -8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.460 -4.234 -6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.961 -4.696 -8.046 1.00 0.00 H new ATOM 302 N HIS A 21 10.858 -0.365 -2.472 1.00 0.00 N ATOM 303 CA HIS A 21 11.887 0.526 -1.951 1.00 0.00 C ATOM 304 C HIS A 21 12.028 0.383 -0.435 1.00 0.00 C ATOM 305 O HIS A 21 12.952 0.935 0.163 1.00 0.00 O ATOM 306 CB HIS A 21 11.565 1.978 -2.312 1.00 0.00 C ATOM 307 CG HIS A 21 12.745 2.739 -2.833 1.00 0.00 C ATOM 308 ND1 HIS A 21 13.281 2.530 -4.086 1.00 0.00 N ATOM 309 CD2 HIS A 21 13.494 3.713 -2.263 1.00 0.00 C ATOM 310 CE1 HIS A 21 14.309 3.342 -4.264 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.458 4.070 -3.173 1.00 0.00 N ATOM 0 H HIS A 21 10.024 0.109 -2.819 1.00 0.00 H new ATOM 0 HA HIS A 21 12.835 0.245 -2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.774 1.991 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.176 2.486 -1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.358 4.131 -1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 21 14.922 3.400 -5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.174 4.783 -3.029 1.00 0.00 H new ATOM 320 N LEU A 22 11.106 -0.353 0.186 1.00 0.00 N ATOM 321 CA LEU A 22 11.136 -0.552 1.629 1.00 0.00 C ATOM 322 C LEU A 22 11.514 -1.988 1.996 1.00 0.00 C ATOM 323 O LEU A 22 11.794 -2.278 3.159 1.00 0.00 O ATOM 324 CB LEU A 22 9.776 -0.209 2.238 1.00 0.00 C ATOM 325 CG LEU A 22 9.828 0.397 3.640 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.029 1.903 3.565 1.00 0.00 C ATOM 327 CD2 LEU A 22 8.558 0.066 4.411 1.00 0.00 C ATOM 0 H LEU A 22 10.333 -0.819 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 22 11.899 0.113 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.264 0.490 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.172 -1.116 2.273 1.00 0.00 H new ATOM 0 HG LEU A 22 10.676 -0.036 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.063 2.316 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.966 2.120 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.202 2.354 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.612 0.505 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.695 0.471 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.456 -1.016 4.497 1.00 0.00 H new ATOM 339 N ALA A 23 11.522 -2.885 1.012 1.00 0.00 N ATOM 340 CA ALA A 23 11.868 -4.273 1.264 1.00 0.00 C ATOM 341 C ALA A 23 13.351 -4.414 1.578 1.00 0.00 C ATOM 342 O ALA A 23 14.172 -3.626 1.110 1.00 0.00 O ATOM 343 CB ALA A 23 11.484 -5.137 0.073 1.00 0.00 C ATOM 0 H ALA A 23 11.294 -2.673 0.041 1.00 0.00 H new ATOM 0 HA ALA A 23 11.308 -4.615 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.749 -6.175 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.410 -5.064 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.017 -4.793 -0.813 1.00 0.00 H new ATOM 349 N THR A 24 13.685 -5.416 2.380 1.00 0.00 N ATOM 350 CA THR A 24 15.069 -5.660 2.761 1.00 0.00 C ATOM 351 C THR A 24 15.625 -6.864 2.007 1.00 0.00 C ATOM 352 O THR A 24 14.879 -7.603 1.365 1.00 0.00 O ATOM 353 CB THR A 24 15.169 -5.891 4.268 1.00 0.00 C ATOM 354 OG1 THR A 24 14.344 -6.973 4.665 1.00 0.00 O ATOM 355 CG2 THR A 24 14.765 -4.682 5.083 1.00 0.00 C ATOM 0 H THR A 24 13.015 -6.074 2.780 1.00 0.00 H new ATOM 0 HA THR A 24 15.660 -4.782 2.499 1.00 0.00 H new ATOM 0 HB THR A 24 16.220 -6.106 4.461 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.297 -7.007 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.858 -4.911 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.414 -3.842 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.731 -4.420 4.858 1.00 0.00 H new ATOM 363 N HIS A 25 16.937 -7.058 2.087 1.00 0.00 N ATOM 364 CA HIS A 25 17.585 -8.176 1.408 1.00 0.00 C ATOM 365 C HIS A 25 16.938 -9.498 1.808 1.00 0.00 C ATOM 366 O HIS A 25 16.910 -10.451 1.029 1.00 0.00 O ATOM 367 CB HIS A 25 19.079 -8.206 1.739 1.00 0.00 C ATOM 368 CG HIS A 25 19.936 -8.660 0.598 1.00 0.00 C ATOM 369 ND1 HIS A 25 21.309 -8.534 0.593 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.608 -9.244 -0.579 1.00 0.00 C ATOM 371 CE1 HIS A 25 21.789 -9.019 -0.538 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.779 -9.456 -1.266 1.00 0.00 N ATOM 0 H HIS A 25 17.572 -6.458 2.614 1.00 0.00 H new ATOM 0 HA HIS A 25 17.462 -8.039 0.334 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.395 -7.209 2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.241 -8.867 2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.613 -9.496 -0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 25 22.831 -9.052 -0.819 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.855 -9.882 -2.190 1.00 0.00 H new ATOM 381 N VAL A 26 16.416 -9.545 3.029 1.00 0.00 N ATOM 382 CA VAL A 26 15.764 -10.743 3.543 1.00 0.00 C ATOM 383 C VAL A 26 14.366 -10.912 2.951 1.00 0.00 C ATOM 384 O VAL A 26 13.892 -12.036 2.775 1.00 0.00 O ATOM 385 CB VAL A 26 15.668 -10.716 5.082 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.873 -9.509 5.552 1.00 0.00 C ATOM 387 CG2 VAL A 26 15.053 -12.008 5.604 1.00 0.00 C ATOM 0 H VAL A 26 16.432 -8.763 3.684 1.00 0.00 H new ATOM 0 HA VAL A 26 16.380 -11.590 3.243 1.00 0.00 H new ATOM 0 HB VAL A 26 16.677 -10.632 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.818 -9.511 6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.364 -8.596 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.866 -9.553 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.994 -11.969 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.052 -12.127 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.673 -12.853 5.304 1.00 0.00 H new ATOM 397 N ASP A 27 13.707 -9.797 2.641 1.00 0.00 N ATOM 398 CA ASP A 27 12.373 -9.846 2.071 1.00 0.00 C ATOM 399 C ASP A 27 12.440 -10.467 0.693 1.00 0.00 C ATOM 400 O ASP A 27 11.629 -11.321 0.341 1.00 0.00 O ATOM 401 CB ASP A 27 11.769 -8.438 1.988 1.00 0.00 C ATOM 402 CG ASP A 27 11.010 -8.062 3.245 1.00 0.00 C ATOM 403 OD1 ASP A 27 10.404 -8.962 3.864 1.00 0.00 O ATOM 404 OD2 ASP A 27 11.021 -6.868 3.610 1.00 0.00 O ATOM 0 H ASP A 27 14.077 -8.856 2.776 1.00 0.00 H new ATOM 0 HA ASP A 27 11.734 -10.453 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.565 -7.713 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.098 -8.383 1.131 1.00 0.00 H new ATOM 409 N TRP A 28 13.432 -10.040 -0.077 1.00 0.00 N ATOM 410 CA TRP A 28 13.627 -10.563 -1.412 1.00 0.00 C ATOM 411 C TRP A 28 14.207 -11.972 -1.364 1.00 0.00 C ATOM 412 O TRP A 28 13.951 -12.791 -2.247 1.00 0.00 O ATOM 413 CB TRP A 28 14.513 -9.631 -2.236 1.00 0.00 C ATOM 414 CG TRP A 28 13.804 -8.371 -2.619 1.00 0.00 C ATOM 415 CD1 TRP A 28 12.785 -8.244 -3.518 1.00 0.00 C ATOM 416 CD2 TRP A 28 14.047 -7.061 -2.101 1.00 0.00 C ATOM 417 NE1 TRP A 28 12.378 -6.934 -3.587 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.138 -6.188 -2.726 1.00 0.00 C ATOM 419 CE3 TRP A 28 14.946 -6.543 -1.166 1.00 0.00 C ATOM 420 CZ2 TRP A 28 13.102 -4.825 -2.443 1.00 0.00 C ATOM 421 CZ3 TRP A 28 14.909 -5.192 -0.890 1.00 0.00 C ATOM 422 CH2 TRP A 28 13.992 -4.346 -1.524 1.00 0.00 C ATOM 0 H TRP A 28 14.111 -9.333 0.205 1.00 0.00 H new ATOM 0 HA TRP A 28 12.654 -10.619 -1.900 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.408 -9.383 -1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.843 -10.148 -3.137 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.361 -9.055 -4.091 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.631 -6.575 -4.182 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.656 -7.187 -0.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.396 -4.170 -2.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.601 -4.779 -0.171 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.988 -3.293 -1.282 1.00 0.00 H new ATOM 433 N GLN A 29 14.985 -12.249 -0.321 1.00 0.00 N ATOM 434 CA GLN A 29 15.597 -13.561 -0.146 1.00 0.00 C ATOM 435 C GLN A 29 14.528 -14.647 -0.116 1.00 0.00 C ATOM 436 O GLN A 29 14.670 -15.694 -0.748 1.00 0.00 O ATOM 437 CB GLN A 29 16.415 -13.597 1.145 1.00 0.00 C ATOM 438 CG GLN A 29 17.434 -14.724 1.192 1.00 0.00 C ATOM 439 CD GLN A 29 18.400 -14.684 0.024 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.253 -15.432 -0.943 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.395 -13.809 0.108 1.00 0.00 N ATOM 0 H GLN A 29 15.206 -11.580 0.417 1.00 0.00 H new ATOM 0 HA GLN A 29 16.261 -13.747 -0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.933 -12.645 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.736 -13.697 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.995 -14.664 2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.912 -15.681 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.478 -13.209 0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.076 -13.737 -0.648 1.00 0.00 H new ATOM 450 N ASN A 30 13.452 -14.384 0.618 1.00 0.00 N ATOM 451 CA ASN A 30 12.348 -15.328 0.727 1.00 0.00 C ATOM 452 C ASN A 30 11.090 -14.752 0.087 1.00 0.00 C ATOM 453 O ASN A 30 9.973 -15.031 0.524 1.00 0.00 O ATOM 454 CB ASN A 30 12.080 -15.667 2.194 1.00 0.00 C ATOM 455 CG ASN A 30 13.088 -16.653 2.752 1.00 0.00 C ATOM 456 OD1 ASN A 30 12.773 -17.823 2.974 1.00 0.00 O ATOM 457 ND2 ASN A 30 14.309 -16.184 2.982 1.00 0.00 N ATOM 0 H ASN A 30 13.322 -13.522 1.147 1.00 0.00 H new ATOM 0 HA ASN A 30 12.623 -16.241 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.104 -14.752 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.077 -16.083 2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.030 -16.800 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.526 -15.207 2.783 1.00 0.00 H new ATOM 464 N CYS A 31 11.284 -13.943 -0.950 1.00 0.00 N ATOM 465 CA CYS A 31 10.171 -13.317 -1.654 1.00 0.00 C ATOM 466 C CYS A 31 9.518 -14.291 -2.628 1.00 0.00 C ATOM 467 O CYS A 31 10.191 -14.913 -3.451 1.00 0.00 O ATOM 468 CB CYS A 31 10.656 -12.070 -2.402 1.00 0.00 C ATOM 469 SG CYS A 31 9.450 -11.361 -3.548 1.00 0.00 S ATOM 0 H CYS A 31 12.204 -13.705 -1.322 1.00 0.00 H new ATOM 0 HA CYS A 31 9.424 -13.025 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.934 -11.310 -1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.559 -12.324 -2.957 1.00 0.00 H new ATOM 0 HG CYS A 31 8.257 -11.462 -3.041 1.00 0.00 H new ATOM 475 N VAL A 32 8.199 -14.407 -2.533 1.00 0.00 N ATOM 476 CA VAL A 32 7.441 -15.288 -3.407 1.00 0.00 C ATOM 477 C VAL A 32 6.968 -14.540 -4.648 1.00 0.00 C ATOM 478 O VAL A 32 6.985 -15.081 -5.754 1.00 0.00 O ATOM 479 CB VAL A 32 6.216 -15.886 -2.685 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.648 -16.916 -1.654 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.393 -14.791 -2.028 1.00 0.00 C ATOM 0 H VAL A 32 7.631 -13.898 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 32 8.108 -16.099 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 32 5.595 -16.385 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.768 -17.325 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.192 -17.721 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.295 -16.442 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.534 -15.234 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.007 -14.262 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.047 -14.091 -2.788 1.00 0.00 H new ATOM 491 N TRP A 33 6.542 -13.291 -4.459 1.00 0.00 N ATOM 492 CA TRP A 33 6.063 -12.475 -5.573 1.00 0.00 C ATOM 493 C TRP A 33 6.556 -11.033 -5.448 1.00 0.00 C ATOM 494 O TRP A 33 6.799 -10.542 -4.348 1.00 0.00 O ATOM 495 CB TRP A 33 4.528 -12.524 -5.637 1.00 0.00 C ATOM 496 CG TRP A 33 3.896 -11.297 -6.227 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.443 -11.132 -7.504 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.655 -10.060 -5.554 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.935 -9.864 -7.664 1.00 0.00 N ATOM 500 CE2 TRP A 33 3.055 -9.186 -6.478 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.891 -9.610 -4.255 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.689 -7.885 -6.138 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.529 -8.322 -3.920 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.933 -7.472 -4.860 1.00 0.00 C ATOM 0 H TRP A 33 6.519 -12.826 -3.552 1.00 0.00 H new ATOM 0 HA TRP A 33 6.466 -12.883 -6.500 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.228 -13.392 -6.225 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.138 -12.671 -4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.478 -11.887 -8.276 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.535 -9.489 -8.524 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.350 -10.259 -3.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.229 -7.227 -6.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.708 -7.963 -2.917 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.661 -6.469 -4.568 1.00 0.00 H new ATOM 515 N GLU A 34 6.696 -10.359 -6.587 1.00 0.00 N ATOM 516 CA GLU A 34 7.154 -8.974 -6.608 1.00 0.00 C ATOM 517 C GLU A 34 6.766 -8.290 -7.916 1.00 0.00 C ATOM 518 O GLU A 34 7.203 -8.695 -8.993 1.00 0.00 O ATOM 519 CB GLU A 34 8.672 -8.912 -6.417 1.00 0.00 C ATOM 520 CG GLU A 34 9.231 -7.497 -6.418 1.00 0.00 C ATOM 521 CD GLU A 34 10.077 -7.205 -7.643 1.00 0.00 C ATOM 522 OE1 GLU A 34 9.500 -6.863 -8.696 1.00 0.00 O ATOM 523 OE2 GLU A 34 11.317 -7.316 -7.547 1.00 0.00 O ATOM 0 H GLU A 34 6.498 -10.751 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 34 6.670 -8.447 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.931 -9.395 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.153 -9.484 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.407 -6.785 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.833 -7.347 -5.521 1.00 0.00 H new ATOM 530 N ASP A 35 5.939 -7.253 -7.814 1.00 0.00 N ATOM 531 CA ASP A 35 5.489 -6.514 -8.990 1.00 0.00 C ATOM 532 C ASP A 35 6.158 -5.146 -9.072 1.00 0.00 C ATOM 533 O ASP A 35 5.988 -4.306 -8.187 1.00 0.00 O ATOM 534 CB ASP A 35 3.968 -6.349 -8.962 1.00 0.00 C ATOM 535 CG ASP A 35 3.253 -7.456 -9.712 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.770 -7.893 -10.761 1.00 0.00 O ATOM 537 OD2 ASP A 35 2.176 -7.887 -9.248 1.00 0.00 O ATOM 0 H ASP A 35 5.567 -6.906 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 35 5.772 -7.086 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.626 -6.335 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.701 -5.387 -9.399 1.00 0.00 H new ATOM 542 N TYR A 36 6.915 -4.927 -10.143 1.00 0.00 N ATOM 543 CA TYR A 36 7.607 -3.659 -10.347 1.00 0.00 C ATOM 544 C TYR A 36 6.612 -2.524 -10.561 1.00 0.00 C ATOM 545 O TYR A 36 6.778 -1.430 -10.022 1.00 0.00 O ATOM 546 CB TYR A 36 8.553 -3.758 -11.545 1.00 0.00 C ATOM 547 CG TYR A 36 9.682 -2.751 -11.509 1.00 0.00 C ATOM 548 CD1 TYR A 36 10.835 -2.997 -10.774 1.00 0.00 C ATOM 549 CD2 TYR A 36 9.596 -1.556 -12.213 1.00 0.00 C ATOM 550 CE1 TYR A 36 11.869 -2.081 -10.738 1.00 0.00 C ATOM 551 CE2 TYR A 36 10.626 -0.635 -12.182 1.00 0.00 C ATOM 552 CZ TYR A 36 11.759 -0.903 -11.445 1.00 0.00 C ATOM 553 OH TYR A 36 12.787 0.012 -11.412 1.00 0.00 O ATOM 0 H TYR A 36 7.065 -5.612 -10.884 1.00 0.00 H new ATOM 0 HA TYR A 36 8.189 -3.442 -9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.974 -4.763 -11.583 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.981 -3.617 -12.462 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.925 -3.920 -10.221 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.710 -1.344 -12.793 1.00 0.00 H new ATOM 0 HE1 TYR A 36 12.758 -2.287 -10.160 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.543 0.290 -12.733 1.00 0.00 H new ATOM 0 HH TYR A 36 12.553 0.787 -11.963 1.00 0.00 H new ATOM 563 N ASN A 37 5.574 -2.792 -11.349 1.00 0.00 N ATOM 564 CA ASN A 37 4.550 -1.793 -11.630 1.00 0.00 C ATOM 565 C ASN A 37 3.756 -1.454 -10.370 1.00 0.00 C ATOM 566 O ASN A 37 3.037 -0.458 -10.331 1.00 0.00 O ATOM 567 CB ASN A 37 3.604 -2.293 -12.722 1.00 0.00 C ATOM 568 CG ASN A 37 4.320 -2.560 -14.032 1.00 0.00 C ATOM 569 OD1 ASN A 37 5.550 -2.586 -14.086 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.552 -2.760 -15.097 1.00 0.00 N ATOM 0 H ASN A 37 5.421 -3.692 -11.803 1.00 0.00 H new ATOM 0 HA ASN A 37 5.049 -0.888 -11.977 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.116 -3.208 -12.385 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.819 -1.554 -12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.978 -2.944 -16.005 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.536 -2.730 -15.006 1.00 0.00 H new ATOM 577 N ARG A 38 3.888 -2.285 -9.341 1.00 0.00 N ATOM 578 CA ARG A 38 3.179 -2.058 -8.090 1.00 0.00 C ATOM 579 C ARG A 38 4.151 -1.768 -6.948 1.00 0.00 C ATOM 580 O ARG A 38 3.731 -1.566 -5.809 1.00 0.00 O ATOM 581 CB ARG A 38 2.314 -3.272 -7.744 1.00 0.00 C ATOM 582 CG ARG A 38 0.883 -3.158 -8.245 1.00 0.00 C ATOM 583 CD ARG A 38 0.472 -4.379 -9.052 1.00 0.00 C ATOM 584 NE ARG A 38 1.388 -4.636 -10.161 1.00 0.00 N ATOM 585 CZ ARG A 38 1.082 -5.388 -11.217 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.116 -5.949 -11.315 1.00 0.00 N ATOM 587 NH2 ARG A 38 1.977 -5.578 -12.177 1.00 0.00 N ATOM 0 H ARG A 38 4.477 -3.118 -9.350 1.00 0.00 H new ATOM 0 HA ARG A 38 2.538 -1.186 -8.221 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.770 -4.166 -8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.303 -3.404 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.209 -3.038 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.783 -2.264 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.440 -5.251 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.536 -4.234 -9.441 1.00 0.00 H new ATOM 0 HE ARG A 38 2.316 -4.215 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.808 -5.805 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.345 -6.524 -12.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.899 -5.148 -12.107 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.743 -6.154 -12.986 1.00 0.00 H new ATOM 601 N ASP A 39 5.451 -1.753 -7.257 1.00 0.00 N ATOM 602 CA ASP A 39 6.481 -1.492 -6.252 1.00 0.00 C ATOM 603 C ASP A 39 6.175 -2.236 -4.957 1.00 0.00 C ATOM 604 O ASP A 39 6.370 -1.709 -3.862 1.00 0.00 O ATOM 605 CB ASP A 39 6.597 0.010 -5.981 1.00 0.00 C ATOM 606 CG ASP A 39 5.325 0.597 -5.403 1.00 0.00 C ATOM 607 OD1 ASP A 39 5.066 0.383 -4.200 1.00 0.00 O ATOM 608 OD2 ASP A 39 4.588 1.272 -6.152 1.00 0.00 O ATOM 0 H ASP A 39 5.813 -1.919 -8.196 1.00 0.00 H new ATOM 0 HA ASP A 39 7.433 -1.853 -6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.422 0.188 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.841 0.525 -6.910 1.00 0.00 H new ATOM 613 N LEU A 40 5.680 -3.460 -5.096 1.00 0.00 N ATOM 614 CA LEU A 40 5.329 -4.278 -3.943 1.00 0.00 C ATOM 615 C LEU A 40 5.792 -5.719 -4.131 1.00 0.00 C ATOM 616 O LEU A 40 5.892 -6.208 -5.256 1.00 0.00 O ATOM 617 CB LEU A 40 3.815 -4.236 -3.722 1.00 0.00 C ATOM 618 CG LEU A 40 3.302 -5.056 -2.539 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.620 -4.356 -1.226 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.804 -5.297 -2.670 1.00 0.00 C ATOM 0 H LEU A 40 5.513 -3.908 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 40 5.835 -3.873 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.514 -3.198 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.323 -4.590 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 40 3.808 -6.022 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.247 -4.955 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.699 -4.235 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.142 -3.377 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.454 -5.882 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.282 -4.340 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.602 -5.841 -3.593 1.00 0.00 H new ATOM 632 N LEU A 41 6.062 -6.397 -3.020 1.00 0.00 N ATOM 633 CA LEU A 41 6.503 -7.789 -3.059 1.00 0.00 C ATOM 634 C LEU A 41 6.011 -8.556 -1.838 1.00 0.00 C ATOM 635 O LEU A 41 5.728 -7.967 -0.798 1.00 0.00 O ATOM 636 CB LEU A 41 8.037 -7.893 -3.202 1.00 0.00 C ATOM 637 CG LEU A 41 8.926 -7.377 -2.042 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.762 -6.193 -2.500 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.130 -6.995 -0.803 1.00 0.00 C ATOM 0 H LEU A 41 5.983 -6.006 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 41 6.060 -8.248 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.284 -8.942 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.323 -7.352 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 41 9.576 -8.206 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.380 -5.843 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.402 -6.498 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.104 -5.388 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.810 -6.642 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.424 -6.204 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.585 -7.865 -0.438 1.00 0.00 H new ATOM 651 N VAL A 42 5.898 -9.873 -1.970 1.00 0.00 N ATOM 652 CA VAL A 42 5.436 -10.704 -0.868 1.00 0.00 C ATOM 653 C VAL A 42 6.493 -11.724 -0.481 1.00 0.00 C ATOM 654 O VAL A 42 7.014 -12.450 -1.330 1.00 0.00 O ATOM 655 CB VAL A 42 4.117 -11.450 -1.204 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.851 -12.580 -0.211 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.941 -10.487 -1.221 1.00 0.00 C ATOM 0 H VAL A 42 6.119 -10.384 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 42 5.246 -10.029 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 42 4.231 -11.885 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.920 -13.083 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.673 -13.296 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.770 -12.169 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.028 -11.032 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.840 -10.019 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.111 -9.718 -1.975 1.00 0.00 H new ATOM 667 N SER A 43 6.777 -11.779 0.813 1.00 0.00 N ATOM 668 CA SER A 43 7.743 -12.718 1.358 1.00 0.00 C ATOM 669 C SER A 43 7.050 -13.615 2.375 1.00 0.00 C ATOM 670 O SER A 43 6.010 -13.249 2.919 1.00 0.00 O ATOM 671 CB SER A 43 8.909 -11.975 2.011 1.00 0.00 C ATOM 672 OG SER A 43 8.579 -11.556 3.323 1.00 0.00 O ATOM 0 H SER A 43 6.344 -11.175 1.512 1.00 0.00 H new ATOM 0 HA SER A 43 8.144 -13.328 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.785 -12.623 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.176 -11.108 1.406 1.00 0.00 H new ATOM 0 HG SER A 43 9.117 -10.772 3.561 1.00 0.00 H new ATOM 678 N THR A 44 7.610 -14.789 2.619 1.00 0.00 N ATOM 679 CA THR A 44 7.008 -15.722 3.561 1.00 0.00 C ATOM 680 C THR A 44 7.664 -15.633 4.933 1.00 0.00 C ATOM 681 O THR A 44 8.878 -15.785 5.070 1.00 0.00 O ATOM 682 CB THR A 44 7.092 -17.144 3.014 1.00 0.00 C ATOM 683 OG1 THR A 44 8.403 -17.663 3.147 1.00 0.00 O ATOM 684 CG2 THR A 44 6.704 -17.224 1.558 1.00 0.00 C ATOM 0 H THR A 44 8.472 -15.117 2.183 1.00 0.00 H new ATOM 0 HA THR A 44 5.959 -15.451 3.683 1.00 0.00 H new ATOM 0 HB THR A 44 6.388 -17.732 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.899 -17.134 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.781 -18.257 1.217 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.678 -16.876 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.373 -16.597 0.968 1.00 0.00 H new ATOM 692 N THR A 45 6.840 -15.378 5.945 1.00 0.00 N ATOM 693 CA THR A 45 7.317 -15.256 7.316 1.00 0.00 C ATOM 694 C THR A 45 6.752 -16.372 8.189 1.00 0.00 C ATOM 695 O THR A 45 5.801 -17.053 7.804 1.00 0.00 O ATOM 696 CB THR A 45 6.924 -13.892 7.890 1.00 0.00 C ATOM 697 OG1 THR A 45 7.005 -13.896 9.305 1.00 0.00 O ATOM 698 CG2 THR A 45 5.519 -13.463 7.512 1.00 0.00 C ATOM 0 H THR A 45 5.833 -15.251 5.839 1.00 0.00 H new ATOM 0 HA THR A 45 8.404 -15.342 7.309 1.00 0.00 H new ATOM 0 HB THR A 45 7.632 -13.186 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.751 -13.014 9.650 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.305 -12.489 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.438 -13.397 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.802 -14.194 7.886 1.00 0.00 H new ATOM 706 N THR A 46 7.343 -16.555 9.364 1.00 0.00 N ATOM 707 CA THR A 46 6.897 -17.588 10.291 1.00 0.00 C ATOM 708 C THR A 46 6.092 -16.978 11.436 1.00 0.00 C ATOM 709 O THR A 46 6.315 -17.296 12.605 1.00 0.00 O ATOM 710 CB THR A 46 8.097 -18.358 10.843 1.00 0.00 C ATOM 711 OG1 THR A 46 9.236 -17.520 10.925 1.00 0.00 O ATOM 712 CG2 THR A 46 8.472 -19.562 10.006 1.00 0.00 C ATOM 0 H THR A 46 8.132 -16.001 9.697 1.00 0.00 H new ATOM 0 HA THR A 46 6.253 -18.279 9.748 1.00 0.00 H new ATOM 0 HB THR A 46 7.789 -18.704 11.830 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.993 -18.030 11.282 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.331 -20.063 10.453 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.630 -20.253 9.964 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.726 -19.239 8.997 1.00 0.00 H new ATOM 720 N ALA A 47 5.155 -16.100 11.091 1.00 0.00 N ATOM 721 CA ALA A 47 4.318 -15.445 12.089 1.00 0.00 C ATOM 722 C ALA A 47 2.960 -15.068 11.505 1.00 0.00 C ATOM 723 O ALA A 47 2.856 -14.702 10.334 1.00 0.00 O ATOM 724 CB ALA A 47 5.019 -14.213 12.637 1.00 0.00 C ATOM 0 H ALA A 47 4.957 -15.826 10.129 1.00 0.00 H new ATOM 0 HA ALA A 47 4.150 -16.148 12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.383 -13.733 13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.961 -14.506 13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.216 -13.515 11.824 1.00 0.00 H new ATOM 730 N HIS A 48 1.922 -15.157 12.329 1.00 0.00 N ATOM 731 CA HIS A 48 0.570 -14.824 11.895 1.00 0.00 C ATOM 732 C HIS A 48 0.444 -13.330 11.613 1.00 0.00 C ATOM 733 O HIS A 48 1.105 -12.510 12.249 1.00 0.00 O ATOM 734 CB HIS A 48 -0.447 -15.242 12.958 1.00 0.00 C ATOM 735 CG HIS A 48 -0.771 -16.703 12.934 1.00 0.00 C ATOM 736 ND1 HIS A 48 -2.049 -17.194 13.106 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.024 -17.785 12.756 1.00 0.00 C ATOM 738 CE1 HIS A 48 -2.024 -18.514 13.035 1.00 0.00 C ATOM 739 NE2 HIS A 48 -0.779 -18.896 12.823 1.00 0.00 N ATOM 0 H HIS A 48 1.991 -15.457 13.301 1.00 0.00 H new ATOM 0 HA HIS A 48 0.365 -15.369 10.973 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.060 -14.980 13.943 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.365 -14.672 12.815 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.091 -17.775 12.592 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.878 -19.168 13.134 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.464 -19.861 12.725 1.00 0.00 H new ATOM 748 N GLY A 49 -0.408 -12.986 10.654 1.00 0.00 N ATOM 749 CA GLY A 49 -0.604 -11.591 10.303 1.00 0.00 C ATOM 750 C GLY A 49 -1.587 -10.892 11.221 1.00 0.00 C ATOM 751 O GLY A 49 -2.644 -11.437 11.539 1.00 0.00 O ATOM 0 H GLY A 49 -0.966 -13.647 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.354 -11.073 10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.962 -11.525 9.276 1.00 0.00 H new ATOM 755 N CYS A 50 -1.240 -9.681 11.643 1.00 0.00 N ATOM 756 CA CYS A 50 -2.101 -8.904 12.527 1.00 0.00 C ATOM 757 C CYS A 50 -2.969 -7.931 11.731 1.00 0.00 C ATOM 758 O CYS A 50 -3.496 -6.965 12.281 1.00 0.00 O ATOM 759 CB CYS A 50 -1.258 -8.135 13.546 1.00 0.00 C ATOM 760 SG CYS A 50 -2.188 -7.555 14.984 1.00 0.00 S ATOM 0 H CYS A 50 -0.369 -9.216 11.387 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.756 -9.597 13.054 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.445 -8.776 13.887 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.802 -7.277 13.051 1.00 0.00 H new ATOM 0 HG CYS A 50 -3.290 -6.990 14.589 1.00 0.00 H new ATOM 766 N ASP A 51 -3.117 -8.194 10.435 1.00 0.00 N ATOM 767 CA ASP A 51 -3.923 -7.343 9.569 1.00 0.00 C ATOM 768 C ASP A 51 -4.818 -8.185 8.665 1.00 0.00 C ATOM 769 O ASP A 51 -4.437 -9.275 8.240 1.00 0.00 O ATOM 770 CB ASP A 51 -3.023 -6.444 8.718 1.00 0.00 C ATOM 771 CG ASP A 51 -2.525 -5.232 9.484 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.559 -5.263 10.732 1.00 0.00 O ATOM 773 OD2 ASP A 51 -2.101 -4.254 8.835 1.00 0.00 O ATOM 0 H ASP A 51 -2.689 -8.990 9.963 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.555 -6.718 10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.170 -7.021 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.573 -6.113 7.837 1.00 0.00 H new ATOM 778 N THR A 52 -6.008 -7.671 8.375 1.00 0.00 N ATOM 779 CA THR A 52 -6.957 -8.375 7.521 1.00 0.00 C ATOM 780 C THR A 52 -7.280 -7.548 6.283 1.00 0.00 C ATOM 781 O THR A 52 -7.822 -6.448 6.385 1.00 0.00 O ATOM 782 CB THR A 52 -8.241 -8.683 8.293 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.947 -9.342 9.511 1.00 0.00 O ATOM 784 CG2 THR A 52 -9.208 -9.555 7.521 1.00 0.00 C ATOM 0 H THR A 52 -6.338 -6.769 8.719 1.00 0.00 H new ATOM 0 HA THR A 52 -6.501 -9.313 7.205 1.00 0.00 H new ATOM 0 HB THR A 52 -8.711 -7.716 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.781 -9.529 9.991 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.097 -9.735 8.125 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.493 -9.052 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.731 -10.506 7.284 1.00 0.00 H new ATOM 792 N ILE A 53 -6.944 -8.082 5.114 1.00 0.00 N ATOM 793 CA ILE A 53 -7.200 -7.384 3.860 1.00 0.00 C ATOM 794 C ILE A 53 -8.668 -7.487 3.476 1.00 0.00 C ATOM 795 O ILE A 53 -9.290 -8.537 3.634 1.00 0.00 O ATOM 796 CB ILE A 53 -6.351 -7.922 2.689 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.962 -8.390 3.162 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.239 -6.857 1.604 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.818 -7.465 2.791 1.00 0.00 C ATOM 0 H ILE A 53 -6.496 -8.992 5.009 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.922 -6.345 4.035 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.851 -8.796 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.982 -8.503 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.764 -9.376 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.639 -7.240 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.234 -6.601 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.763 -5.967 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.881 -7.877 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.764 -7.370 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.986 -6.483 3.234 1.00 0.00 H new ATOM 811 N ALA A 54 -9.217 -6.389 2.974 1.00 0.00 N ATOM 812 CA ALA A 54 -10.613 -6.354 2.570 1.00 0.00 C ATOM 813 C ALA A 54 -10.767 -6.678 1.089 1.00 0.00 C ATOM 814 O ALA A 54 -10.066 -6.121 0.244 1.00 0.00 O ATOM 815 CB ALA A 54 -11.212 -4.989 2.880 1.00 0.00 C ATOM 0 H ALA A 54 -8.715 -5.511 2.837 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.150 -7.115 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.258 -4.973 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.144 -4.797 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.663 -4.219 2.338 1.00 0.00 H new ATOM 821 N ARG A 55 -11.699 -7.574 0.781 1.00 0.00 N ATOM 822 CA ARG A 55 -11.960 -7.964 -0.600 1.00 0.00 C ATOM 823 C ARG A 55 -13.060 -7.094 -1.199 1.00 0.00 C ATOM 824 O ARG A 55 -13.798 -7.527 -2.084 1.00 0.00 O ATOM 825 CB ARG A 55 -12.363 -9.439 -0.670 1.00 0.00 C ATOM 826 CG ARG A 55 -11.640 -10.216 -1.760 1.00 0.00 C ATOM 827 CD ARG A 55 -12.427 -10.213 -3.060 1.00 0.00 C ATOM 828 NE ARG A 55 -12.365 -11.505 -3.740 1.00 0.00 N ATOM 829 CZ ARG A 55 -11.333 -11.906 -4.480 1.00 0.00 C ATOM 830 NH1 ARG A 55 -10.275 -11.120 -4.635 1.00 0.00 N ATOM 831 NH2 ARG A 55 -11.360 -13.095 -5.065 1.00 0.00 N ATOM 0 H ARG A 55 -12.287 -8.044 1.470 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.046 -7.821 -1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.162 -9.908 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.438 -9.506 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.656 -9.779 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.481 -11.243 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.467 -9.961 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.036 -9.437 -3.719 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.159 -12.137 -3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.250 -10.204 -4.186 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.487 -11.432 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.171 -13.702 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.570 -13.403 -5.632 1.00 0.00 H new ATOM 845 N CYS A 56 -13.166 -5.866 -0.703 1.00 0.00 N ATOM 846 CA CYS A 56 -14.175 -4.928 -1.175 1.00 0.00 C ATOM 847 C CYS A 56 -13.579 -3.943 -2.175 1.00 0.00 C ATOM 848 O CYS A 56 -12.360 -3.830 -2.300 1.00 0.00 O ATOM 849 CB CYS A 56 -14.774 -4.164 0.007 1.00 0.00 C ATOM 850 SG CYS A 56 -13.563 -3.177 0.947 1.00 0.00 S ATOM 0 H CYS A 56 -12.561 -5.496 0.030 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.959 -5.496 -1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.558 -3.502 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.249 -4.876 0.682 1.00 0.00 H new ATOM 855 N GLN A 57 -14.450 -3.232 -2.884 1.00 0.00 N ATOM 856 CA GLN A 57 -14.014 -2.254 -3.873 1.00 0.00 C ATOM 857 C GLN A 57 -14.639 -0.890 -3.595 1.00 0.00 C ATOM 858 O GLN A 57 -14.949 -0.137 -4.518 1.00 0.00 O ATOM 859 CB GLN A 57 -14.381 -2.728 -5.282 1.00 0.00 C ATOM 860 CG GLN A 57 -13.174 -3.019 -6.158 1.00 0.00 C ATOM 861 CD GLN A 57 -12.922 -1.931 -7.184 1.00 0.00 C ATOM 862 OE1 GLN A 57 -12.344 -0.891 -6.874 1.00 0.00 O ATOM 863 NE2 GLN A 57 -13.360 -2.169 -8.416 1.00 0.00 N ATOM 0 H GLN A 57 -15.462 -3.315 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.931 -2.155 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -14.990 -3.629 -5.206 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.995 -1.967 -5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.291 -3.131 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.322 -3.969 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.835 -3.047 -8.628 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.221 -1.474 -9.150 1.00 0.00 H new ATOM 872 N CYS A 58 -14.821 -0.577 -2.314 1.00 0.00 N ATOM 873 CA CYS A 58 -15.409 0.696 -1.913 1.00 0.00 C ATOM 874 C CYS A 58 -14.638 1.868 -2.509 1.00 0.00 C ATOM 875 O CYS A 58 -13.412 1.927 -2.418 1.00 0.00 O ATOM 876 CB CYS A 58 -15.428 0.821 -0.388 1.00 0.00 C ATOM 877 SG CYS A 58 -16.199 -0.587 0.471 1.00 0.00 S ATOM 0 H CYS A 58 -14.569 -1.188 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.431 0.721 -2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.404 0.932 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.960 1.733 -0.117 1.00 0.00 H new ATOM 882 N THR A 59 -15.364 2.805 -3.108 1.00 0.00 N ATOM 883 CA THR A 59 -14.744 3.981 -3.704 1.00 0.00 C ATOM 884 C THR A 59 -14.248 4.935 -2.620 1.00 0.00 C ATOM 885 O THR A 59 -13.514 5.882 -2.902 1.00 0.00 O ATOM 886 CB THR A 59 -15.736 4.700 -4.619 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.566 3.769 -5.291 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.065 5.558 -5.670 1.00 0.00 C ATOM 0 H THR A 59 -16.380 2.773 -3.193 1.00 0.00 H new ATOM 0 HA THR A 59 -13.890 3.653 -4.297 1.00 0.00 H new ATOM 0 HB THR A 59 -16.319 5.346 -3.962 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.194 4.249 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.825 6.040 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.456 6.319 -5.183 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.431 4.933 -6.299 1.00 0.00 H new ATOM 896 N THR A 60 -14.655 4.680 -1.379 1.00 0.00 N ATOM 897 CA THR A 60 -14.256 5.514 -0.253 1.00 0.00 C ATOM 898 C THR A 60 -13.500 4.693 0.787 1.00 0.00 C ATOM 899 O THR A 60 -13.691 3.482 0.898 1.00 0.00 O ATOM 900 CB THR A 60 -15.483 6.168 0.387 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.125 5.268 1.273 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.511 6.632 -0.621 1.00 0.00 C ATOM 0 H THR A 60 -15.263 3.900 -1.129 1.00 0.00 H new ATOM 0 HA THR A 60 -13.593 6.295 -0.627 1.00 0.00 H new ATOM 0 HB THR A 60 -15.101 7.040 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.906 5.704 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.354 7.086 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.060 7.366 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.861 5.779 -1.203 1.00 0.00 H new ATOM 910 N GLY A 61 -12.640 5.362 1.546 1.00 0.00 N ATOM 911 CA GLY A 61 -11.864 4.686 2.569 1.00 0.00 C ATOM 912 C GLY A 61 -11.112 5.666 3.448 1.00 0.00 C ATOM 913 O GLY A 61 -11.413 6.859 3.450 1.00 0.00 O ATOM 0 H GLY A 61 -12.466 6.364 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.527 4.080 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.156 4.005 2.097 1.00 0.00 H new ATOM 917 N VAL A 62 -10.132 5.170 4.194 1.00 0.00 N ATOM 918 CA VAL A 62 -9.343 6.025 5.072 1.00 0.00 C ATOM 919 C VAL A 62 -7.868 5.640 5.036 1.00 0.00 C ATOM 920 O VAL A 62 -7.512 4.474 5.221 1.00 0.00 O ATOM 921 CB VAL A 62 -9.852 5.969 6.527 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.751 4.553 7.076 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.087 6.947 7.407 1.00 0.00 C ATOM 0 H VAL A 62 -9.866 4.185 4.209 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.455 7.044 4.703 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.902 6.263 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.115 4.534 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.355 3.882 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.711 4.227 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.464 6.889 8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.027 6.693 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.221 7.960 7.027 1.00 0.00 H new ATOM 933 N TYR A 63 -7.016 6.630 4.795 1.00 0.00 N ATOM 934 CA TYR A 63 -5.579 6.401 4.736 1.00 0.00 C ATOM 935 C TYR A 63 -4.916 6.786 6.054 1.00 0.00 C ATOM 936 O TYR A 63 -5.196 7.844 6.615 1.00 0.00 O ATOM 937 CB TYR A 63 -4.960 7.186 3.577 1.00 0.00 C ATOM 938 CG TYR A 63 -5.014 8.692 3.740 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.143 9.344 4.605 1.00 0.00 C ATOM 940 CD2 TYR A 63 -5.926 9.463 3.024 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.179 10.717 4.754 1.00 0.00 C ATOM 942 CE2 TYR A 63 -5.967 10.837 3.170 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.092 11.458 4.035 1.00 0.00 C ATOM 944 OH TYR A 63 -5.128 12.826 4.180 1.00 0.00 O ATOM 0 H TYR A 63 -7.296 7.598 4.638 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.409 5.338 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.919 6.882 3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.474 6.914 2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.426 8.767 5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.612 8.980 2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.495 11.207 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.681 11.421 2.609 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.714 13.060 4.930 1.00 0.00 H new ATOM 954 N PHE A 64 -4.044 5.912 6.549 1.00 0.00 N ATOM 955 CA PHE A 64 -3.350 6.156 7.809 1.00 0.00 C ATOM 956 C PHE A 64 -1.871 6.447 7.584 1.00 0.00 C ATOM 957 O PHE A 64 -1.184 5.718 6.868 1.00 0.00 O ATOM 958 CB PHE A 64 -3.501 4.952 8.739 1.00 0.00 C ATOM 959 CG PHE A 64 -2.914 5.173 10.105 1.00 0.00 C ATOM 960 CD1 PHE A 64 -3.580 5.945 11.044 1.00 0.00 C ATOM 961 CD2 PHE A 64 -1.696 4.608 10.448 1.00 0.00 C ATOM 962 CE1 PHE A 64 -3.042 6.149 12.300 1.00 0.00 C ATOM 963 CE2 PHE A 64 -1.153 4.809 11.704 1.00 0.00 C ATOM 964 CZ PHE A 64 -1.826 5.582 12.630 1.00 0.00 C ATOM 0 H PHE A 64 -3.802 5.030 6.097 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.804 7.032 8.271 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.559 4.712 8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.021 4.087 8.281 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.530 6.392 10.791 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.165 4.004 9.727 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.572 6.751 13.023 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.204 4.362 11.960 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.402 5.743 13.610 1.00 0.00 H new ATOM 974 N CYS A 65 -1.388 7.513 8.211 1.00 0.00 N ATOM 975 CA CYS A 65 0.013 7.905 8.098 1.00 0.00 C ATOM 976 C CYS A 65 0.436 8.077 6.641 1.00 0.00 C ATOM 977 O CYS A 65 1.623 7.997 6.321 1.00 0.00 O ATOM 978 CB CYS A 65 0.907 6.867 8.779 1.00 0.00 C ATOM 979 SG CYS A 65 2.502 7.515 9.331 1.00 0.00 S ATOM 0 H CYS A 65 -1.948 8.124 8.805 1.00 0.00 H new ATOM 0 HA CYS A 65 0.127 8.868 8.596 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.378 6.455 9.638 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.081 6.043 8.087 1.00 0.00 H new ATOM 0 HG CYS A 65 3.450 7.023 8.590 1.00 0.00 H new ATOM 985 N ALA A 66 -0.530 8.325 5.763 1.00 0.00 N ATOM 986 CA ALA A 66 -0.232 8.519 4.349 1.00 0.00 C ATOM 987 C ALA A 66 0.462 9.856 4.130 1.00 0.00 C ATOM 988 O ALA A 66 1.454 9.945 3.406 1.00 0.00 O ATOM 989 CB ALA A 66 -1.505 8.437 3.519 1.00 0.00 C ATOM 0 H ALA A 66 -1.519 8.396 6.003 1.00 0.00 H new ATOM 0 HA ALA A 66 0.440 7.724 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.263 8.584 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.964 7.457 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.201 9.211 3.843 1.00 0.00 H new ATOM 995 N SER A 67 -0.066 10.895 4.769 1.00 0.00 N ATOM 996 CA SER A 67 0.501 12.234 4.657 1.00 0.00 C ATOM 997 C SER A 67 0.051 13.124 5.817 1.00 0.00 C ATOM 998 O SER A 67 0.094 14.350 5.718 1.00 0.00 O ATOM 999 CB SER A 67 0.096 12.870 3.326 1.00 0.00 C ATOM 1000 OG SER A 67 0.889 12.376 2.262 1.00 0.00 O ATOM 0 H SER A 67 -0.887 10.835 5.371 1.00 0.00 H new ATOM 0 HA SER A 67 1.586 12.143 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.955 12.664 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.202 13.953 3.390 1.00 0.00 H new ATOM 0 HG SER A 67 1.285 11.518 2.520 1.00 0.00 H new ATOM 1006 N LYS A 68 -0.386 12.503 6.912 1.00 0.00 N ATOM 1007 CA LYS A 68 -0.845 13.250 8.081 1.00 0.00 C ATOM 1008 C LYS A 68 -0.572 12.496 9.386 1.00 0.00 C ATOM 1009 O LYS A 68 -1.011 12.924 10.452 1.00 0.00 O ATOM 1010 CB LYS A 68 -2.343 13.537 7.959 1.00 0.00 C ATOM 1011 CG LYS A 68 -2.659 14.822 7.212 1.00 0.00 C ATOM 1012 CD LYS A 68 -2.755 16.007 8.158 1.00 0.00 C ATOM 1013 CE LYS A 68 -2.322 17.297 7.480 1.00 0.00 C ATOM 1014 NZ LYS A 68 -2.021 18.369 8.469 1.00 0.00 N ATOM 0 H LYS A 68 -0.432 11.489 7.013 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.287 14.186 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.824 12.703 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.776 13.592 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.885 15.011 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.599 14.709 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.780 16.108 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.130 15.827 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.439 17.108 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.109 17.635 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.729 19.232 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.871 18.568 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.252 18.057 9.096 1.00 0.00 H new ATOM 1028 N SER A 69 0.145 11.373 9.304 1.00 0.00 N ATOM 1029 CA SER A 69 0.453 10.577 10.493 1.00 0.00 C ATOM 1030 C SER A 69 -0.816 10.253 11.282 1.00 0.00 C ATOM 1031 O SER A 69 -0.758 9.965 12.477 1.00 0.00 O ATOM 1032 CB SER A 69 1.444 11.326 11.387 1.00 0.00 C ATOM 1033 OG SER A 69 2.336 10.428 12.023 1.00 0.00 O ATOM 0 H SER A 69 0.521 10.997 8.433 1.00 0.00 H new ATOM 0 HA SER A 69 0.901 9.639 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.008 12.042 10.790 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.900 11.897 12.139 1.00 0.00 H new ATOM 0 HG SER A 69 2.960 10.931 12.587 1.00 0.00 H new ATOM 1039 N LYS A 70 -1.959 10.310 10.602 1.00 0.00 N ATOM 1040 CA LYS A 70 -3.250 10.037 11.223 1.00 0.00 C ATOM 1041 C LYS A 70 -4.197 9.380 10.224 1.00 0.00 C ATOM 1042 O LYS A 70 -3.904 9.315 9.031 1.00 0.00 O ATOM 1043 CB LYS A 70 -3.882 11.331 11.745 1.00 0.00 C ATOM 1044 CG LYS A 70 -3.095 11.997 12.862 1.00 0.00 C ATOM 1045 CD LYS A 70 -2.792 13.452 12.540 1.00 0.00 C ATOM 1046 CE LYS A 70 -3.768 14.392 13.230 1.00 0.00 C ATOM 1047 NZ LYS A 70 -3.153 15.066 14.406 1.00 0.00 N ATOM 0 H LYS A 70 -2.015 10.545 9.611 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.083 9.358 12.059 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.984 12.033 10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.888 11.113 12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.661 11.939 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.162 11.457 13.023 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.775 13.690 12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.840 13.604 11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.112 15.144 12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.646 13.832 13.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.851 15.698 14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.848 14.350 15.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.330 15.622 14.097 1.00 0.00 H new ATOM 1061 N HIS A 71 -5.337 8.907 10.716 1.00 0.00 N ATOM 1062 CA HIS A 71 -6.327 8.273 9.854 1.00 0.00 C ATOM 1063 C HIS A 71 -7.194 9.347 9.206 1.00 0.00 C ATOM 1064 O HIS A 71 -7.849 10.129 9.896 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.198 7.305 10.660 1.00 0.00 C ATOM 1066 CG HIS A 71 -6.931 5.863 10.358 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -6.949 5.184 9.187 1.00 0.00 N flip ATOM 1068 CD2 HIS A 71 -6.604 4.938 11.329 1.00 0.00 C flip ATOM 1069 CE1 HIS A 71 -6.637 3.876 9.469 1.00 0.00 C flip ATOM 1070 NE2 HIS A 71 -6.433 3.755 10.767 1.00 0.00 N flip ATOM 0 H HIS A 71 -5.597 8.950 11.701 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.814 7.705 9.078 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.034 7.481 11.723 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.247 7.521 10.460 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.504 5.149 12.383 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.570 3.077 8.746 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.185 2.894 11.254 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.167 9.399 7.880 1.00 0.00 N ATOM 1080 CA TYR A 72 -7.923 10.402 7.139 1.00 0.00 C ATOM 1081 C TYR A 72 -8.899 9.762 6.155 1.00 0.00 C ATOM 1082 O TYR A 72 -8.480 9.137 5.181 1.00 0.00 O ATOM 1083 CB TYR A 72 -6.950 11.296 6.364 1.00 0.00 C ATOM 1084 CG TYR A 72 -6.857 12.717 6.873 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.014 13.043 7.928 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.601 13.733 6.288 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -5.915 14.342 8.387 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.510 15.035 6.742 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.666 15.335 7.791 1.00 0.00 C ATOM 1090 OH TYR A 72 -6.571 16.630 8.245 1.00 0.00 O ATOM 0 H TYR A 72 -6.630 8.759 7.295 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.498 10.987 7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.958 10.846 6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.253 11.318 5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.426 12.268 8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.261 13.502 5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.254 14.579 9.207 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.097 15.814 6.278 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.163 17.206 7.718 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.216 9.929 6.371 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.225 9.382 5.465 1.00 0.00 C ATOM 1102 C PRO A 73 -11.189 10.115 4.130 1.00 0.00 C ATOM 1103 O PRO A 73 -11.355 11.334 4.081 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.556 9.639 6.189 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.184 10.038 7.580 1.00 0.00 C ATOM 1106 CD PRO A 73 -10.826 10.671 7.479 1.00 0.00 C ATOM 0 HA PRO A 73 -11.068 8.326 5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.126 10.425 5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.181 8.746 6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.911 10.737 7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.163 9.172 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.890 11.738 7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.257 10.563 8.403 1.00 0.00 H new ATOM 1114 N VAL A 74 -10.943 9.380 3.054 1.00 0.00 N ATOM 1115 CA VAL A 74 -10.857 9.989 1.735 1.00 0.00 C ATOM 1116 C VAL A 74 -11.467 9.096 0.658 1.00 0.00 C ATOM 1117 O VAL A 74 -11.494 7.873 0.790 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.385 10.298 1.378 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -8.680 9.067 0.829 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.294 11.446 0.389 1.00 0.00 C ATOM 0 H VAL A 74 -10.801 8.370 3.068 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.427 10.917 1.770 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.881 10.596 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.647 9.317 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.696 8.274 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.191 8.726 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.248 11.643 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.827 11.182 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.742 12.339 0.825 1.00 0.00 H new ATOM 1130 N SER A 75 -11.935 9.721 -0.416 1.00 0.00 N ATOM 1131 CA SER A 75 -12.522 8.991 -1.529 1.00 0.00 C ATOM 1132 C SER A 75 -11.481 8.788 -2.622 1.00 0.00 C ATOM 1133 O SER A 75 -10.866 9.747 -3.088 1.00 0.00 O ATOM 1134 CB SER A 75 -13.731 9.746 -2.087 1.00 0.00 C ATOM 1135 OG SER A 75 -14.561 10.222 -1.043 1.00 0.00 O ATOM 0 H SER A 75 -11.918 10.734 -0.538 1.00 0.00 H new ATOM 0 HA SER A 75 -12.858 8.018 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.391 10.584 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.304 9.089 -2.741 1.00 0.00 H new ATOM 0 HG SER A 75 -15.325 10.702 -1.426 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.275 7.538 -3.024 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.292 7.233 -4.058 1.00 0.00 C ATOM 1143 C PHE A 76 -10.872 6.336 -5.142 1.00 0.00 C ATOM 1144 O PHE A 76 -11.882 5.660 -4.944 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.032 6.568 -3.469 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.138 6.158 -2.024 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.197 5.386 -1.575 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.167 6.545 -1.116 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.286 5.016 -0.245 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.248 6.180 0.209 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.310 5.415 0.648 1.00 0.00 C ATOM 0 H PHE A 76 -11.770 6.727 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.013 8.188 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.795 5.686 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.194 7.258 -3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.961 5.070 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.333 7.143 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.117 4.416 0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.482 6.492 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.378 5.129 1.687 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.198 6.331 -6.283 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.591 5.518 -7.422 1.00 0.00 C ATOM 1163 C GLU A 77 -9.551 4.429 -7.634 1.00 0.00 C ATOM 1164 O GLU A 77 -8.423 4.553 -7.155 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.720 6.381 -8.679 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.137 6.869 -8.937 1.00 0.00 C ATOM 1167 CD GLU A 77 -13.077 5.746 -9.326 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -12.758 4.574 -9.033 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -14.135 6.038 -9.925 1.00 0.00 O ATOM 0 H GLU A 77 -9.362 6.892 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.562 5.064 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.058 7.242 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.379 5.807 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.516 7.362 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.121 7.616 -9.730 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.922 3.358 -8.327 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.984 2.270 -8.552 1.00 0.00 C ATOM 1178 C GLY A 78 -8.489 2.166 -9.988 1.00 0.00 C ATOM 1179 O GLY A 78 -8.762 1.171 -10.660 1.00 0.00 O ATOM 0 H GLY A 78 -10.847 3.222 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.127 2.401 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.460 1.330 -8.274 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.751 3.173 -10.498 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.230 3.147 -11.867 1.00 0.00 C ATOM 1185 C PRO A 79 -6.172 2.064 -12.070 1.00 0.00 C ATOM 1186 O PRO A 79 -5.325 1.817 -11.196 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.598 4.532 -12.061 1.00 0.00 C ATOM 1188 CG PRO A 79 -7.059 5.360 -10.911 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.377 4.408 -9.794 1.00 0.00 C ATOM 0 HA PRO A 79 -8.022 2.923 -12.581 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.510 4.465 -12.082 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.908 4.973 -13.008 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.286 6.067 -10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.938 5.945 -11.183 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.519 4.254 -9.140 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.191 4.777 -9.170 1.00 0.00 H new ATOM 1197 N GLY A 80 -6.229 1.426 -13.235 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.287 0.376 -13.563 1.00 0.00 C ATOM 1199 C GLY A 80 -3.860 0.878 -13.632 1.00 0.00 C ATOM 1200 O GLY A 80 -3.003 0.413 -12.888 1.00 0.00 O ATOM 0 H GLY A 80 -6.918 1.621 -13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.355 -0.415 -12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.560 -0.066 -14.521 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.597 1.825 -14.525 1.00 0.00 N ATOM 1205 CA LEU A 81 -2.252 2.370 -14.668 1.00 0.00 C ATOM 1206 C LEU A 81 -2.218 3.870 -14.404 1.00 0.00 C ATOM 1207 O LEU A 81 -2.902 4.647 -15.071 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.697 2.082 -16.060 1.00 0.00 C ATOM 1209 CG LEU A 81 -0.217 1.689 -16.093 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.593 2.500 -15.092 1.00 0.00 C ATOM 1211 CD2 LEU A 81 -0.055 0.200 -15.829 1.00 0.00 C ATOM 0 H LEU A 81 -4.290 2.228 -15.156 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.628 1.879 -13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.282 1.280 -16.510 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.838 2.966 -16.682 1.00 0.00 H new ATOM 0 HG LEU A 81 0.166 1.910 -17.089 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.639 2.197 -15.140 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.511 3.560 -15.331 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.210 2.324 -14.087 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.003 -0.061 -15.856 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.463 -0.042 -14.848 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.588 -0.365 -16.593 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.401 4.271 -13.436 1.00 0.00 N ATOM 1224 CA VAL A 82 -1.254 5.677 -13.089 1.00 0.00 C ATOM 1225 C VAL A 82 0.218 6.068 -13.069 1.00 0.00 C ATOM 1226 O VAL A 82 1.016 5.475 -12.343 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.880 5.996 -11.717 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.920 7.499 -11.486 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -3.274 5.396 -11.615 1.00 0.00 C ATOM 0 H VAL A 82 -0.829 3.638 -12.877 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.780 6.252 -13.851 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.259 5.549 -10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.365 7.706 -10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.906 7.898 -11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.518 7.971 -12.266 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.701 5.631 -10.640 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.907 5.812 -12.398 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.214 4.314 -11.734 1.00 0.00 H new ATOM 1239 N GLU A 83 0.575 7.065 -13.870 1.00 0.00 N ATOM 1240 CA GLU A 83 1.956 7.523 -13.937 1.00 0.00 C ATOM 1241 C GLU A 83 2.329 8.290 -12.675 1.00 0.00 C ATOM 1242 O GLU A 83 1.878 9.416 -12.465 1.00 0.00 O ATOM 1243 CB GLU A 83 2.162 8.405 -15.172 1.00 0.00 C ATOM 1244 CG GLU A 83 3.101 7.799 -16.203 1.00 0.00 C ATOM 1245 CD GLU A 83 4.407 8.561 -16.322 1.00 0.00 C ATOM 1246 OE1 GLU A 83 4.380 9.717 -16.793 1.00 0.00 O ATOM 1247 OE2 GLU A 83 5.457 8.001 -15.944 1.00 0.00 O ATOM 0 H GLU A 83 -0.070 7.569 -14.479 1.00 0.00 H new ATOM 0 HA GLU A 83 2.605 6.651 -14.015 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.195 8.593 -15.639 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.557 9.371 -14.857 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.312 6.764 -15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.606 7.781 -17.174 1.00 0.00 H new ATOM 1254 N VAL A 84 3.153 7.671 -11.836 1.00 0.00 N ATOM 1255 CA VAL A 84 3.581 8.296 -10.592 1.00 0.00 C ATOM 1256 C VAL A 84 4.661 9.340 -10.848 1.00 0.00 C ATOM 1257 O VAL A 84 5.712 9.036 -11.414 1.00 0.00 O ATOM 1258 CB VAL A 84 4.105 7.256 -9.585 1.00 0.00 C ATOM 1259 CG1 VAL A 84 2.998 6.288 -9.196 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.305 6.507 -10.152 1.00 0.00 C ATOM 0 H VAL A 84 3.536 6.739 -11.995 1.00 0.00 H new ATOM 0 HA VAL A 84 2.704 8.783 -10.165 1.00 0.00 H new ATOM 0 HB VAL A 84 4.432 7.783 -8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.385 5.560 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.176 6.840 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.638 5.770 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.657 5.778 -9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.013 5.992 -11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.104 7.214 -10.373 1.00 0.00 H new ATOM 1270 N GLN A 85 4.383 10.571 -10.428 1.00 0.00 N ATOM 1271 CA GLN A 85 5.310 11.685 -10.602 1.00 0.00 C ATOM 1272 C GLN A 85 6.536 11.526 -9.709 1.00 0.00 C ATOM 1273 O GLN A 85 6.458 10.932 -8.633 1.00 0.00 O ATOM 1274 CB GLN A 85 4.613 13.012 -10.293 1.00 0.00 C ATOM 1275 CG GLN A 85 3.186 13.091 -10.813 1.00 0.00 C ATOM 1276 CD GLN A 85 2.971 14.257 -11.758 1.00 0.00 C ATOM 1277 OE1 GLN A 85 2.705 14.067 -12.945 1.00 0.00 O ATOM 1278 NE2 GLN A 85 3.087 15.471 -11.236 1.00 0.00 N ATOM 0 H GLN A 85 3.513 10.824 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 85 5.639 11.685 -11.641 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.606 13.165 -9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.194 13.826 -10.727 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.939 12.162 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.501 13.181 -9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.309 15.582 -10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.954 16.294 -11.824 1.00 0.00 H new ATOM 1287 N GLU A 86 7.667 12.057 -10.162 1.00 0.00 N ATOM 1288 CA GLU A 86 8.907 11.968 -9.403 1.00 0.00 C ATOM 1289 C GLU A 86 8.816 12.802 -8.130 1.00 0.00 C ATOM 1290 O GLU A 86 8.926 14.027 -8.170 1.00 0.00 O ATOM 1291 CB GLU A 86 10.084 12.451 -10.251 1.00 0.00 C ATOM 1292 CG GLU A 86 11.431 12.309 -9.561 1.00 0.00 C ATOM 1293 CD GLU A 86 12.314 13.528 -9.751 1.00 0.00 C ATOM 1294 OE1 GLU A 86 12.421 14.011 -10.897 1.00 0.00 O ATOM 1295 OE2 GLU A 86 12.899 13.998 -8.752 1.00 0.00 O ATOM 0 H GLU A 86 7.749 12.553 -11.050 1.00 0.00 H new ATOM 0 HA GLU A 86 9.066 10.925 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.103 11.889 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.928 13.498 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.274 12.141 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.944 11.429 -9.950 1.00 0.00 H new ATOM 1302 N SER A 87 8.605 12.130 -7.002 1.00 0.00 N ATOM 1303 CA SER A 87 8.492 12.815 -5.719 1.00 0.00 C ATOM 1304 C SER A 87 9.119 12.000 -4.590 1.00 0.00 C ATOM 1305 O SER A 87 9.307 10.791 -4.713 1.00 0.00 O ATOM 1306 CB SER A 87 7.023 13.099 -5.399 1.00 0.00 C ATOM 1307 OG SER A 87 6.196 12.020 -5.795 1.00 0.00 O ATOM 0 H SER A 87 8.509 11.116 -6.950 1.00 0.00 H new ATOM 0 HA SER A 87 9.036 13.756 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.908 13.275 -4.329 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.706 14.009 -5.908 1.00 0.00 H new ATOM 0 HG SER A 87 5.263 12.226 -5.578 1.00 0.00 H new ATOM 1313 N GLU A 88 9.425 12.678 -3.486 1.00 0.00 N ATOM 1314 CA GLU A 88 10.018 12.036 -2.317 1.00 0.00 C ATOM 1315 C GLU A 88 11.316 11.310 -2.670 1.00 0.00 C ATOM 1316 O GLU A 88 12.407 11.842 -2.467 1.00 0.00 O ATOM 1317 CB GLU A 88 9.016 11.069 -1.677 1.00 0.00 C ATOM 1318 CG GLU A 88 9.159 10.957 -0.169 1.00 0.00 C ATOM 1319 CD GLU A 88 8.128 11.783 0.577 1.00 0.00 C ATOM 1320 OE1 GLU A 88 7.024 11.990 0.030 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.424 12.222 1.708 1.00 0.00 O ATOM 0 H GLU A 88 9.270 13.680 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 88 10.265 12.816 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.004 11.397 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.143 10.081 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.064 9.912 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.158 11.280 0.123 1.00 0.00 H new ATOM 1328 N TYR A 89 11.197 10.093 -3.195 1.00 0.00 N ATOM 1329 CA TYR A 89 12.366 9.304 -3.567 1.00 0.00 C ATOM 1330 C TYR A 89 12.032 8.316 -4.681 1.00 0.00 C ATOM 1331 O TYR A 89 12.729 7.319 -4.867 1.00 0.00 O ATOM 1332 CB TYR A 89 12.906 8.548 -2.351 1.00 0.00 C ATOM 1333 CG TYR A 89 11.824 7.950 -1.478 1.00 0.00 C ATOM 1334 CD1 TYR A 89 10.863 7.099 -2.012 1.00 0.00 C ATOM 1335 CD2 TYR A 89 11.763 8.236 -0.119 1.00 0.00 C ATOM 1336 CE1 TYR A 89 9.873 6.553 -1.217 1.00 0.00 C ATOM 1337 CE2 TYR A 89 10.777 7.693 0.681 1.00 0.00 C ATOM 1338 CZ TYR A 89 9.834 6.854 0.128 1.00 0.00 C ATOM 1339 OH TYR A 89 8.850 6.311 0.922 1.00 0.00 O ATOM 0 H TYR A 89 10.304 9.633 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 89 13.129 9.991 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.566 7.751 -2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.511 9.228 -1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.891 6.861 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 89 12.499 8.894 0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.134 5.894 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.745 7.925 1.735 1.00 0.00 H new ATOM 0 HH TYR A 89 8.965 6.622 1.844 1.00 0.00 H new ATOM 1349 N TYR A 90 10.963 8.597 -5.421 1.00 0.00 N ATOM 1350 CA TYR A 90 10.544 7.728 -6.514 1.00 0.00 C ATOM 1351 C TYR A 90 10.560 8.484 -7.840 1.00 0.00 C ATOM 1352 O TYR A 90 10.060 9.607 -7.924 1.00 0.00 O ATOM 1353 CB TYR A 90 9.144 7.174 -6.247 1.00 0.00 C ATOM 1354 CG TYR A 90 8.960 5.747 -6.713 1.00 0.00 C ATOM 1355 CD1 TYR A 90 8.639 5.464 -8.035 1.00 0.00 C ATOM 1356 CD2 TYR A 90 9.106 4.684 -5.831 1.00 0.00 C ATOM 1357 CE1 TYR A 90 8.470 4.162 -8.464 1.00 0.00 C ATOM 1358 CE2 TYR A 90 8.940 3.379 -6.254 1.00 0.00 C ATOM 1359 CZ TYR A 90 8.622 3.124 -7.571 1.00 0.00 C ATOM 1360 OH TYR A 90 8.455 1.826 -7.995 1.00 0.00 O ATOM 0 H TYR A 90 10.373 9.418 -5.283 1.00 0.00 H new ATOM 0 HA TYR A 90 11.247 6.898 -6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.939 7.228 -5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.410 7.808 -6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.520 6.275 -8.738 1.00 0.00 H new ATOM 0 HD2 TYR A 90 9.353 4.881 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.220 3.959 -9.495 1.00 0.00 H new ATOM 0 HE2 TYR A 90 9.059 2.563 -5.556 1.00 0.00 H new ATOM 0 HH TYR A 90 8.824 1.213 -7.325 1.00 0.00 H new ATOM 1370 N PRO A 91 11.138 7.879 -8.896 1.00 0.00 N ATOM 1371 CA PRO A 91 11.220 8.500 -10.222 1.00 0.00 C ATOM 1372 C PRO A 91 9.898 8.435 -10.981 1.00 0.00 C ATOM 1373 O PRO A 91 9.124 7.492 -10.816 1.00 0.00 O ATOM 1374 CB PRO A 91 12.281 7.661 -10.931 1.00 0.00 C ATOM 1375 CG PRO A 91 12.159 6.311 -10.316 1.00 0.00 C ATOM 1376 CD PRO A 91 11.763 6.539 -8.880 1.00 0.00 C ATOM 0 HA PRO A 91 11.458 9.562 -10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.106 7.625 -12.006 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.278 8.076 -10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.411 5.712 -10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.102 5.768 -10.379 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.066 5.777 -8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.627 6.508 -8.217 1.00 0.00 H new ATOM 1384 N LYS A 92 9.649 9.442 -11.815 1.00 0.00 N ATOM 1385 CA LYS A 92 8.422 9.500 -12.605 1.00 0.00 C ATOM 1386 C LYS A 92 8.258 8.232 -13.437 1.00 0.00 C ATOM 1387 O LYS A 92 8.727 8.160 -14.573 1.00 0.00 O ATOM 1388 CB LYS A 92 8.436 10.727 -13.519 1.00 0.00 C ATOM 1389 CG LYS A 92 7.157 10.900 -14.325 1.00 0.00 C ATOM 1390 CD LYS A 92 6.557 12.287 -14.140 1.00 0.00 C ATOM 1391 CE LYS A 92 6.354 12.990 -15.473 1.00 0.00 C ATOM 1392 NZ LYS A 92 5.229 13.963 -15.423 1.00 0.00 N ATOM 0 H LYS A 92 10.281 10.229 -11.961 1.00 0.00 H new ATOM 0 HA LYS A 92 7.578 9.579 -11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.598 11.619 -12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.280 10.650 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.367 10.733 -15.381 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.431 10.146 -14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.602 12.205 -13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.212 12.886 -13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.271 13.509 -15.753 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.158 12.249 -16.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.124 14.420 -16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.349 13.464 -15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.427 14.685 -14.701 1.00 0.00 H new ATOM 1406 N ARG A 93 7.608 7.226 -12.859 1.00 0.00 N ATOM 1407 CA ARG A 93 7.408 5.953 -13.551 1.00 0.00 C ATOM 1408 C ARG A 93 5.932 5.571 -13.637 1.00 0.00 C ATOM 1409 O ARG A 93 5.052 6.326 -13.225 1.00 0.00 O ATOM 1410 CB ARG A 93 8.194 4.844 -12.844 1.00 0.00 C ATOM 1411 CG ARG A 93 9.102 4.057 -13.774 1.00 0.00 C ATOM 1412 CD ARG A 93 10.269 4.900 -14.260 1.00 0.00 C ATOM 1413 NE ARG A 93 11.425 4.800 -13.373 1.00 0.00 N ATOM 1414 CZ ARG A 93 12.216 3.731 -13.304 1.00 0.00 C ATOM 1415 NH1 ARG A 93 11.976 2.669 -14.062 1.00 0.00 N ATOM 1416 NH2 ARG A 93 13.250 3.725 -12.473 1.00 0.00 N ATOM 0 H ARG A 93 7.212 7.265 -11.920 1.00 0.00 H new ATOM 0 HA ARG A 93 7.776 6.073 -14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.796 5.286 -12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.492 4.159 -12.369 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.480 3.176 -13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.528 3.701 -14.630 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.553 4.581 -15.263 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.958 5.942 -14.333 1.00 0.00 H new ATOM 0 HE ARG A 93 11.639 5.595 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.182 2.668 -14.702 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.586 1.853 -14.005 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.439 4.539 -11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.856 2.907 -12.419 1.00 0.00 H new ATOM 1430 N TYR A 94 5.681 4.379 -14.174 1.00 0.00 N ATOM 1431 CA TYR A 94 4.328 3.859 -14.322 1.00 0.00 C ATOM 1432 C TYR A 94 4.008 2.867 -13.207 1.00 0.00 C ATOM 1433 O TYR A 94 4.807 1.979 -12.910 1.00 0.00 O ATOM 1434 CB TYR A 94 4.170 3.185 -15.684 1.00 0.00 C ATOM 1435 CG TYR A 94 3.807 4.148 -16.788 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.735 5.061 -17.267 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.536 4.150 -17.344 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.408 5.948 -18.271 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.198 5.033 -18.348 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.137 5.931 -18.810 1.00 0.00 C ATOM 1441 OH TYR A 94 2.807 6.815 -19.812 1.00 0.00 O ATOM 0 H TYR A 94 6.408 3.751 -14.517 1.00 0.00 H new ATOM 0 HA TYR A 94 3.629 4.693 -14.255 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.101 2.681 -15.942 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.400 2.416 -15.614 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.730 5.077 -16.847 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.798 3.448 -16.984 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.142 6.652 -18.634 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.204 5.021 -18.770 1.00 0.00 H new ATOM 0 HH TYR A 94 1.876 6.671 -20.081 1.00 0.00 H new ATOM 1451 N GLN A 95 2.842 3.025 -12.587 1.00 0.00 N ATOM 1452 CA GLN A 95 2.434 2.139 -11.500 1.00 0.00 C ATOM 1453 C GLN A 95 1.050 1.548 -11.758 1.00 0.00 C ATOM 1454 O GLN A 95 0.082 2.277 -11.970 1.00 0.00 O ATOM 1455 CB GLN A 95 2.444 2.895 -10.170 1.00 0.00 C ATOM 1456 CG GLN A 95 3.255 2.204 -9.085 1.00 0.00 C ATOM 1457 CD GLN A 95 4.702 1.994 -9.485 1.00 0.00 C ATOM 1458 OE1 GLN A 95 5.080 0.919 -9.952 1.00 0.00 O ATOM 1459 NE2 GLN A 95 5.522 3.023 -9.302 1.00 0.00 N ATOM 0 H GLN A 95 2.166 3.754 -12.816 1.00 0.00 H new ATOM 0 HA GLN A 95 3.148 1.317 -11.449 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.847 3.895 -10.333 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.418 3.017 -9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.217 2.799 -8.173 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.801 1.240 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.166 3.896 -8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.508 2.940 -9.552 1.00 0.00 H new ATOM 1468 N SER A 96 0.966 0.220 -11.741 1.00 0.00 N ATOM 1469 CA SER A 96 -0.298 -0.469 -11.982 1.00 0.00 C ATOM 1470 C SER A 96 -1.079 -0.698 -10.687 1.00 0.00 C ATOM 1471 O SER A 96 -0.524 -0.631 -9.590 1.00 0.00 O ATOM 1472 CB SER A 96 -0.044 -1.808 -12.677 1.00 0.00 C ATOM 1473 OG SER A 96 -1.251 -2.529 -12.853 1.00 0.00 O ATOM 0 H SER A 96 1.757 -0.399 -11.563 1.00 0.00 H new ATOM 0 HA SER A 96 -0.901 0.170 -12.627 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.424 -1.635 -13.646 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.654 -2.401 -12.087 1.00 0.00 H new ATOM 0 HG SER A 96 -1.061 -3.380 -13.301 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.375 -0.976 -10.834 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.262 -1.229 -9.699 1.00 0.00 C ATOM 1481 C HIS A 97 -3.042 -0.219 -8.572 1.00 0.00 C ATOM 1482 O HIS A 97 -2.759 -0.597 -7.431 1.00 0.00 O ATOM 1483 CB HIS A 97 -3.056 -2.656 -9.183 1.00 0.00 C ATOM 1484 CG HIS A 97 -4.156 -3.596 -9.571 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.642 -4.575 -8.730 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.867 -3.702 -10.718 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.603 -5.242 -9.342 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.760 -4.732 -10.549 1.00 0.00 N ATOM 0 H HIS A 97 -2.838 -1.032 -11.741 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.289 -1.115 -10.045 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.110 -3.039 -9.565 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.975 -2.633 -8.096 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.311 -4.756 -7.782 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.753 -3.091 -11.601 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.165 -6.065 -8.926 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.182 1.067 -8.887 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.001 2.106 -7.877 1.00 0.00 C ATOM 1499 C VAL A 98 -4.234 2.997 -7.773 1.00 0.00 C ATOM 1500 O VAL A 98 -4.806 3.392 -8.785 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.748 2.970 -8.153 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.926 3.828 -9.394 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.425 3.843 -6.951 1.00 0.00 C ATOM 0 H VAL A 98 -3.416 1.411 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.856 1.594 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.913 2.292 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.027 4.422 -9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.100 3.187 -10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.780 4.492 -9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.541 4.443 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.268 4.501 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.234 3.211 -6.083 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.634 3.310 -6.544 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.797 4.159 -6.306 1.00 0.00 C ATOM 1515 C LEU A 99 -5.357 5.570 -5.950 1.00 0.00 C ATOM 1516 O LEU A 99 -4.296 5.761 -5.365 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.660 3.589 -5.177 1.00 0.00 C ATOM 1518 CG LEU A 99 -6.974 2.098 -5.291 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.836 1.269 -4.715 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.285 1.776 -4.585 1.00 0.00 C ATOM 0 H LEU A 99 -4.169 2.988 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.389 4.188 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.153 3.766 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.599 4.141 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.081 1.845 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.076 0.210 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.918 1.480 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.697 1.522 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.495 0.710 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.206 2.042 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.094 2.345 -5.043 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.163 6.561 -6.306 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.809 7.942 -6.005 1.00 0.00 C ATOM 1534 C LEU A 100 -6.929 8.679 -5.278 1.00 0.00 C ATOM 1535 O LEU A 100 -8.093 8.616 -5.671 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.410 8.679 -7.281 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.904 8.677 -7.554 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.611 9.114 -8.975 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.181 9.574 -6.561 1.00 0.00 C ATOM 0 H LEU A 100 -7.050 6.439 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.954 7.920 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.923 8.223 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.756 9.711 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.539 7.658 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.534 9.104 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.094 8.430 -9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.994 10.123 -9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.111 9.560 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.556 10.594 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.357 9.212 -5.548 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.555 9.371 -4.203 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.509 10.122 -3.395 1.00 0.00 C ATOM 1553 C ALA A 101 -7.059 11.560 -3.193 1.00 0.00 C ATOM 1554 O ALA A 101 -5.915 11.820 -2.834 1.00 0.00 O ATOM 1555 CB ALA A 101 -7.689 9.454 -2.048 1.00 0.00 C ATOM 0 H ALA A 101 -5.592 9.426 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.459 10.134 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.403 10.023 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.062 8.440 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.731 9.418 -1.529 1.00 0.00 H new ATOM 1561 N THR A 102 -7.972 12.492 -3.410 1.00 0.00 N ATOM 1562 CA THR A 102 -7.669 13.905 -3.243 1.00 0.00 C ATOM 1563 C THR A 102 -8.034 14.379 -1.839 1.00 0.00 C ATOM 1564 O THR A 102 -9.205 14.381 -1.458 1.00 0.00 O ATOM 1565 CB THR A 102 -8.416 14.722 -4.291 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.338 16.106 -4.000 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.878 14.351 -4.396 1.00 0.00 C ATOM 0 H THR A 102 -8.929 12.296 -3.702 1.00 0.00 H new ATOM 0 HA THR A 102 -6.597 14.048 -3.378 1.00 0.00 H new ATOM 0 HB THR A 102 -7.930 14.496 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.822 16.612 -4.685 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.356 14.967 -5.158 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.968 13.300 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.366 14.519 -3.436 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.022 14.778 -1.074 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.252 15.247 0.282 1.00 0.00 C ATOM 1577 C GLY A 103 -7.206 16.757 0.391 1.00 0.00 C ATOM 1578 O GLY A 103 -8.095 17.451 -0.106 1.00 0.00 O ATOM 0 H GLY A 103 -6.046 14.785 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.223 14.891 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.501 14.815 0.944 1.00 0.00 H new ATOM 1582 N PHE A 104 -6.169 17.270 1.044 1.00 0.00 N ATOM 1583 CA PHE A 104 -6.009 18.708 1.222 1.00 0.00 C ATOM 1584 C PHE A 104 -4.620 19.160 0.782 1.00 0.00 C ATOM 1585 O PHE A 104 -4.481 20.072 -0.032 1.00 0.00 O ATOM 1586 CB PHE A 104 -6.243 19.093 2.684 1.00 0.00 C ATOM 1587 CG PHE A 104 -6.971 20.395 2.854 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -6.382 21.589 2.468 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -8.245 20.426 3.400 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -7.050 22.789 2.623 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -8.918 21.623 3.557 1.00 0.00 C ATOM 1592 CZ PHE A 104 -8.319 22.806 3.169 1.00 0.00 C ATOM 0 H PHE A 104 -5.425 16.709 1.460 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.750 19.209 0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.812 18.302 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.281 19.155 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.390 21.581 2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.717 19.504 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.580 23.712 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.911 21.634 3.982 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.842 23.743 3.292 1.00 0.00 H new ATOM 1602 N SER A 105 -3.594 18.514 1.327 1.00 0.00 N ATOM 1603 CA SER A 105 -2.214 18.849 0.992 1.00 0.00 C ATOM 1604 C SER A 105 -1.253 17.786 1.513 1.00 0.00 C ATOM 1605 O SER A 105 -1.669 16.817 2.150 1.00 0.00 O ATOM 1606 CB SER A 105 -1.845 20.216 1.572 1.00 0.00 C ATOM 1607 OG SER A 105 -2.444 21.264 0.830 1.00 0.00 O ATOM 0 H SER A 105 -3.692 17.756 2.002 1.00 0.00 H new ATOM 0 HA SER A 105 -2.129 18.887 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.167 20.272 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.762 20.336 1.567 1.00 0.00 H new ATOM 0 HG SER A 105 -3.022 20.884 0.135 1.00 0.00 H new ATOM 1613 N GLU A 106 0.034 17.972 1.240 1.00 0.00 N ATOM 1614 CA GLU A 106 1.054 17.029 1.683 1.00 0.00 C ATOM 1615 C GLU A 106 2.182 17.753 2.418 1.00 0.00 C ATOM 1616 O GLU A 106 2.933 18.520 1.813 1.00 0.00 O ATOM 1617 CB GLU A 106 1.620 16.262 0.486 1.00 0.00 C ATOM 1618 CG GLU A 106 0.936 14.926 0.241 1.00 0.00 C ATOM 1619 CD GLU A 106 1.136 14.421 -1.174 1.00 0.00 C ATOM 1620 OE1 GLU A 106 2.216 14.671 -1.747 1.00 0.00 O ATOM 1621 OE2 GLU A 106 0.212 13.772 -1.708 1.00 0.00 O ATOM 0 H GLU A 106 0.395 18.768 0.714 1.00 0.00 H new ATOM 0 HA GLU A 106 0.589 16.324 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.525 16.879 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.685 16.092 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.324 14.189 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.131 15.026 0.440 1.00 0.00 H new ATOM 1628 N PRO A 107 2.321 17.521 3.737 1.00 0.00 N ATOM 1629 CA PRO A 107 3.368 18.161 4.542 1.00 0.00 C ATOM 1630 C PRO A 107 4.763 17.669 4.171 1.00 0.00 C ATOM 1631 O PRO A 107 5.688 18.465 4.004 1.00 0.00 O ATOM 1632 CB PRO A 107 3.020 17.751 5.976 1.00 0.00 C ATOM 1633 CG PRO A 107 2.240 16.489 5.831 1.00 0.00 C ATOM 1634 CD PRO A 107 1.475 16.624 4.545 1.00 0.00 C ATOM 0 HA PRO A 107 3.395 19.240 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 107 3.919 17.594 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 107 2.435 18.522 6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 107 2.901 15.622 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 107 1.564 16.348 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 107 1.333 15.659 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 107 0.484 17.047 4.709 1.00 0.00 H new ATOM 1642 N GLY A 108 4.908 16.355 4.045 1.00 0.00 N ATOM 1643 CA GLY A 108 6.194 15.780 3.694 1.00 0.00 C ATOM 1644 C GLY A 108 6.309 14.324 4.097 1.00 0.00 C ATOM 1645 O GLY A 108 6.756 13.489 3.311 1.00 0.00 O ATOM 0 H GLY A 108 4.158 15.677 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.346 15.869 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.987 16.351 4.177 1.00 0.00 H new ATOM 1649 N ASP A 109 5.907 14.018 5.326 1.00 0.00 N ATOM 1650 CA ASP A 109 5.968 12.652 5.833 1.00 0.00 C ATOM 1651 C ASP A 109 4.994 11.749 5.081 1.00 0.00 C ATOM 1652 O ASP A 109 3.816 12.075 4.935 1.00 0.00 O ATOM 1653 CB ASP A 109 5.653 12.626 7.330 1.00 0.00 C ATOM 1654 CG ASP A 109 6.308 11.456 8.039 1.00 0.00 C ATOM 1655 OD1 ASP A 109 5.834 10.314 7.859 1.00 0.00 O ATOM 1656 OD2 ASP A 109 7.293 11.682 8.772 1.00 0.00 O ATOM 0 H ASP A 109 5.535 14.698 5.990 1.00 0.00 H new ATOM 0 HA ASP A 109 6.979 12.277 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.989 13.558 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.573 12.574 7.470 1.00 0.00 H new ATOM 1661 N ALA A 110 5.494 10.614 4.606 1.00 0.00 N ATOM 1662 CA ALA A 110 4.670 9.664 3.869 1.00 0.00 C ATOM 1663 C ALA A 110 5.074 8.227 4.179 1.00 0.00 C ATOM 1664 O ALA A 110 6.193 7.808 3.880 1.00 0.00 O ATOM 1665 CB ALA A 110 4.768 9.930 2.374 1.00 0.00 C ATOM 0 H ALA A 110 6.467 10.329 4.718 1.00 0.00 H new ATOM 0 HA ALA A 110 3.636 9.798 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.148 9.213 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.422 10.941 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.804 9.826 2.053 1.00 0.00 H new ATOM 1671 N GLY A 111 4.158 7.476 4.782 1.00 0.00 N ATOM 1672 CA GLY A 111 4.438 6.095 5.123 1.00 0.00 C ATOM 1673 C GLY A 111 3.301 5.444 5.885 1.00 0.00 C ATOM 1674 O GLY A 111 3.054 5.776 7.046 1.00 0.00 O ATOM 0 H GLY A 111 3.226 7.800 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.630 5.530 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.347 6.049 5.723 1.00 0.00 H new ATOM 1678 N GLY A 112 2.607 4.516 5.234 1.00 0.00 N ATOM 1679 CA GLY A 112 1.498 3.833 5.875 1.00 0.00 C ATOM 1680 C GLY A 112 0.734 2.940 4.918 1.00 0.00 C ATOM 1681 O GLY A 112 1.159 2.728 3.781 1.00 0.00 O ATOM 0 H GLY A 112 2.793 4.225 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.875 3.233 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.818 4.571 6.299 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.397 2.412 5.377 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.221 1.533 4.556 1.00 0.00 C ATOM 1687 C ILE A 113 -2.662 2.031 4.487 1.00 0.00 C ATOM 1688 O ILE A 113 -3.182 2.595 5.449 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.213 0.087 5.092 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.767 0.041 6.518 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.197 -0.486 5.048 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -1.767 -1.346 7.123 1.00 0.00 C ATOM 0 H ILE A 113 -0.763 2.578 6.314 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.789 1.543 3.555 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.854 -0.522 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.176 0.704 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.786 0.427 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.187 -1.507 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.558 -0.486 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.857 0.125 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.173 -1.302 8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.382 -2.009 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.747 -1.728 7.158 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.304 1.813 3.343 1.00 0.00 N ATOM 1705 CA LEU A 114 -4.688 2.234 3.147 1.00 0.00 C ATOM 1706 C LEU A 114 -5.644 1.147 3.629 1.00 0.00 C ATOM 1707 O LEU A 114 -5.597 0.013 3.154 1.00 0.00 O ATOM 1708 CB LEU A 114 -4.940 2.545 1.668 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.411 2.661 1.262 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.085 3.792 2.017 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.534 2.869 -0.239 1.00 0.00 C ATOM 0 H LEU A 114 -2.888 1.347 2.537 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.866 3.137 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.438 3.480 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.475 1.764 1.066 1.00 0.00 H new ATOM 0 HG LEU A 114 -6.915 1.730 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.130 3.859 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.028 3.599 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.581 4.732 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.587 2.949 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.015 3.785 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.088 2.022 -0.761 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.501 1.496 4.586 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.451 0.536 5.138 1.00 0.00 C ATOM 1725 C ARG A 115 -8.898 0.960 4.897 1.00 0.00 C ATOM 1726 O ARG A 115 -9.206 2.148 4.797 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.208 0.360 6.638 1.00 0.00 C ATOM 1728 CG ARG A 115 -5.837 -0.207 6.971 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.865 -1.006 8.264 1.00 0.00 C ATOM 1730 NE ARG A 115 -4.553 -1.061 8.902 1.00 0.00 N ATOM 1731 CZ ARG A 115 -4.016 -0.048 9.580 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -4.675 1.097 9.709 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -2.818 -0.182 10.132 1.00 0.00 N ATOM 0 H ARG A 115 -6.557 2.430 4.992 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.292 -0.412 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.322 1.325 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.974 -0.300 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.498 -0.845 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.117 0.607 7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.584 -0.559 8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.210 -2.019 8.057 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.017 -1.925 8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.598 1.205 9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.259 1.869 10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.308 -1.060 10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.406 0.593 10.651 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.779 -0.033 4.824 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.203 0.201 4.613 1.00 0.00 C ATOM 1749 C CYS A 116 -12.002 -0.331 5.797 1.00 0.00 C ATOM 1750 O CYS A 116 -11.491 -1.114 6.597 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.672 -0.482 3.326 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.213 0.202 2.629 1.00 0.00 S ATOM 0 H CYS A 116 -9.527 -1.018 4.909 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.367 1.275 4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -10.883 -0.403 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.817 -1.544 3.525 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.256 0.090 5.902 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.118 -0.358 6.988 1.00 0.00 C ATOM 1759 C GLU A 117 -14.259 -1.880 6.985 1.00 0.00 C ATOM 1760 O GLU A 117 -14.669 -2.476 7.981 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.498 0.292 6.871 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.461 1.811 6.925 1.00 0.00 C ATOM 1763 CD GLU A 117 -15.855 2.355 8.285 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -17.071 2.465 8.551 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -14.948 2.671 9.083 1.00 0.00 O ATOM 0 H GLU A 117 -13.698 0.739 5.251 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.658 -0.057 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.959 -0.019 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.134 -0.077 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.457 2.156 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.133 2.214 6.168 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.927 -2.503 5.856 1.00 0.00 N ATOM 1773 CA HIS A 118 -14.026 -3.951 5.722 1.00 0.00 C ATOM 1774 C HIS A 118 -12.692 -4.635 6.022 1.00 0.00 C ATOM 1775 O HIS A 118 -12.662 -5.766 6.507 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.495 -4.309 4.312 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.716 -3.556 3.887 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.716 -2.200 3.642 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.986 -3.975 3.667 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -16.930 -1.815 3.292 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.719 -2.873 3.300 1.00 0.00 N ATOM 0 H HIS A 118 -13.587 -2.025 5.021 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.754 -4.309 6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.689 -4.109 3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.701 -5.378 4.265 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.353 -4.986 3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.226 -0.807 3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.713 -2.872 3.071 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.591 -3.947 5.730 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.276 -4.517 5.979 1.00 0.00 C ATOM 1791 C GLY A 119 -9.151 -3.645 5.463 1.00 0.00 C ATOM 1792 O GLY A 119 -9.159 -2.429 5.648 1.00 0.00 O ATOM 0 H GLY A 119 -11.585 -3.010 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.148 -4.670 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.215 -5.498 5.507 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.178 -4.275 4.816 1.00 0.00 N ATOM 1797 CA VAL A 120 -7.030 -3.566 4.264 1.00 0.00 C ATOM 1798 C VAL A 120 -7.132 -3.456 2.745 1.00 0.00 C ATOM 1799 O VAL A 120 -7.455 -4.431 2.065 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.705 -4.272 4.620 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.523 -3.359 4.355 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.707 -4.742 6.069 1.00 0.00 C ATOM 0 H VAL A 120 -8.162 -5.283 4.660 1.00 0.00 H new ATOM 0 HA VAL A 120 -7.035 -2.569 4.705 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.610 -5.150 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.599 -3.876 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.504 -3.086 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.616 -2.458 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.761 -5.236 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.833 -3.884 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.528 -5.443 6.223 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.852 -2.269 2.216 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.908 -2.043 0.775 1.00 0.00 C ATOM 1814 C ILE A 121 -5.538 -2.245 0.137 1.00 0.00 C ATOM 1815 O ILE A 121 -5.332 -3.183 -0.632 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.402 -0.622 0.440 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.727 -0.326 1.173 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.526 -0.446 -1.071 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.949 -0.187 0.280 1.00 0.00 C ATOM 0 H ILE A 121 -6.585 -1.450 2.762 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.614 -2.770 0.373 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.670 0.105 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.912 -1.125 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.609 0.595 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.876 0.562 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.553 -0.603 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.238 -1.172 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.826 0.020 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.795 0.633 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.103 -1.114 -0.273 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.606 -1.351 0.457 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.271 -1.444 -0.100 1.00 0.00 C ATOM 1833 C GLY A 122 -2.237 -0.697 0.721 1.00 0.00 C ATOM 1834 O GLY A 122 -2.304 -0.682 1.951 1.00 0.00 O ATOM 0 H GLY A 122 -4.753 -0.566 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.984 -2.493 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.278 -1.047 -1.115 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.277 -0.079 0.039 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.221 0.671 0.711 1.00 0.00 C ATOM 1840 C LEU A 123 0.039 2.003 0.011 1.00 0.00 C ATOM 1841 O LEU A 123 -0.380 2.210 -1.127 1.00 0.00 O ATOM 1842 CB LEU A 123 1.067 -0.154 0.758 1.00 0.00 C ATOM 1843 CG LEU A 123 1.479 -0.787 -0.571 1.00 0.00 C ATOM 1844 CD1 LEU A 123 2.993 -0.885 -0.670 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.843 -2.161 -0.726 1.00 0.00 C ATOM 0 H LEU A 123 -1.209 -0.083 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.551 0.878 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.878 0.486 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.947 -0.945 1.498 1.00 0.00 H new ATOM 0 HG LEU A 123 1.124 -0.150 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.267 -1.338 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.427 0.113 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.372 -1.500 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.147 -2.597 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.168 -2.807 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.242 -2.064 -0.701 1.00 0.00 H new ATOM 1857 N VAL A 124 0.731 2.902 0.703 1.00 0.00 N ATOM 1858 CA VAL A 124 1.050 4.216 0.156 1.00 0.00 C ATOM 1859 C VAL A 124 2.050 4.112 -0.992 1.00 0.00 C ATOM 1860 O VAL A 124 3.225 3.817 -0.778 1.00 0.00 O ATOM 1861 CB VAL A 124 1.627 5.149 1.238 1.00 0.00 C ATOM 1862 CG1 VAL A 124 1.825 6.554 0.689 1.00 0.00 C ATOM 1863 CG2 VAL A 124 0.723 5.170 2.463 1.00 0.00 C ATOM 0 H VAL A 124 1.083 2.744 1.647 1.00 0.00 H new ATOM 0 HA VAL A 124 0.116 4.635 -0.218 1.00 0.00 H new ATOM 0 HB VAL A 124 2.601 4.763 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.233 7.196 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.517 6.522 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.867 6.953 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.147 5.834 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -0.267 5.528 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 124 0.641 4.163 2.872 1.00 0.00 H new ATOM 1873 N THR A 125 1.577 4.364 -2.210 1.00 0.00 N ATOM 1874 CA THR A 125 2.436 4.307 -3.388 1.00 0.00 C ATOM 1875 C THR A 125 3.027 5.686 -3.684 1.00 0.00 C ATOM 1876 O THR A 125 4.092 6.029 -3.169 1.00 0.00 O ATOM 1877 CB THR A 125 1.656 3.766 -4.593 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.498 2.363 -4.492 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.317 4.048 -5.928 1.00 0.00 C ATOM 0 H THR A 125 0.606 4.609 -2.406 1.00 0.00 H new ATOM 0 HA THR A 125 3.262 3.624 -3.189 1.00 0.00 H new ATOM 0 HB THR A 125 0.699 4.286 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.269 1.917 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.706 3.635 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.416 5.125 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.305 3.587 -5.950 1.00 0.00 H new ATOM 1887 N MET A 126 2.341 6.480 -4.506 1.00 0.00 N ATOM 1888 CA MET A 126 2.831 7.815 -4.838 1.00 0.00 C ATOM 1889 C MET A 126 1.696 8.834 -4.853 1.00 0.00 C ATOM 1890 O MET A 126 0.690 8.653 -5.537 1.00 0.00 O ATOM 1891 CB MET A 126 3.542 7.798 -6.191 1.00 0.00 C ATOM 1892 CG MET A 126 4.864 7.045 -6.170 1.00 0.00 C ATOM 1893 SD MET A 126 6.027 7.716 -4.966 1.00 0.00 S ATOM 1894 CE MET A 126 6.423 9.293 -5.717 1.00 0.00 C ATOM 0 H MET A 126 1.457 6.226 -4.948 1.00 0.00 H new ATOM 0 HA MET A 126 3.541 8.112 -4.066 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.885 7.343 -6.932 1.00 0.00 H new ATOM 0 HB3 MET A 126 3.722 8.824 -6.511 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.676 5.996 -5.942 1.00 0.00 H new ATOM 0 HG3 MET A 126 5.314 7.080 -7.162 1.00 0.00 H new ATOM 0 HE1 MET A 126 7.134 9.827 -5.087 1.00 0.00 H new ATOM 0 HE2 MET A 126 6.862 9.127 -6.701 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.514 9.885 -5.821 1.00 0.00 H new ATOM 1904 N GLY A 127 1.865 9.908 -4.089 1.00 0.00 N ATOM 1905 CA GLY A 127 0.847 10.940 -4.027 1.00 0.00 C ATOM 1906 C GLY A 127 1.283 12.229 -4.695 1.00 0.00 C ATOM 1907 O GLY A 127 2.378 12.731 -4.439 1.00 0.00 O ATOM 0 H GLY A 127 2.688 10.082 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -0.063 10.577 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 127 0.601 11.141 -2.984 1.00 0.00 H new ATOM 1911 N GLY A 128 0.421 12.769 -5.552 1.00 0.00 N ATOM 1912 CA GLY A 128 0.740 14.004 -6.243 1.00 0.00 C ATOM 1913 C GLY A 128 0.745 15.199 -5.310 1.00 0.00 C ATOM 1914 O GLY A 128 1.103 15.079 -4.139 1.00 0.00 O ATOM 0 H GLY A 128 -0.491 12.373 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.717 13.911 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 128 0.015 14.170 -7.039 1.00 0.00 H new ATOM 1918 N GLU A 129 0.343 16.355 -5.828 1.00 0.00 N ATOM 1919 CA GLU A 129 0.302 17.573 -5.028 1.00 0.00 C ATOM 1920 C GLU A 129 -1.023 17.694 -4.279 1.00 0.00 C ATOM 1921 O GLU A 129 -1.127 18.435 -3.302 1.00 0.00 O ATOM 1922 CB GLU A 129 0.511 18.799 -5.919 1.00 0.00 C ATOM 1923 CG GLU A 129 1.768 18.726 -6.770 1.00 0.00 C ATOM 1924 CD GLU A 129 1.874 19.874 -7.754 1.00 0.00 C ATOM 1925 OE1 GLU A 129 0.976 20.005 -8.613 1.00 0.00 O ATOM 1926 OE2 GLU A 129 2.855 20.643 -7.667 1.00 0.00 O ATOM 0 H GLU A 129 0.042 16.474 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 129 1.107 17.521 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.354 18.914 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.558 19.689 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 129 2.643 18.728 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.778 17.783 -7.316 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.034 16.965 -4.743 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.336 17.014 -4.100 1.00 0.00 C ATOM 1935 C GLY A 130 -4.021 15.658 -4.015 1.00 0.00 C ATOM 1936 O GLY A 130 -5.041 15.523 -3.340 1.00 0.00 O ATOM 0 H GLY A 130 -1.976 16.343 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.221 17.418 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.978 17.703 -4.649 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.472 14.653 -4.698 1.00 0.00 N ATOM 1941 CA VAL A 131 -4.058 13.314 -4.686 1.00 0.00 C ATOM 1942 C VAL A 131 -3.113 12.305 -4.034 1.00 0.00 C ATOM 1943 O VAL A 131 -1.906 12.534 -3.947 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.434 12.835 -6.104 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.638 11.907 -6.049 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.713 14.017 -7.023 1.00 0.00 C ATOM 0 H VAL A 131 -2.627 14.740 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.972 13.378 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.587 12.283 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.890 11.578 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.401 11.040 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.487 12.437 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.976 13.652 -8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.540 14.603 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.824 14.643 -7.090 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.679 11.201 -3.550 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.906 10.164 -2.869 1.00 0.00 C ATOM 1958 C VAL A 132 -2.899 8.850 -3.645 1.00 0.00 C ATOM 1959 O VAL A 132 -3.945 8.237 -3.834 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.496 9.883 -1.473 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -2.586 8.972 -0.675 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -3.765 11.173 -0.717 1.00 0.00 C ATOM 0 H VAL A 132 -4.677 11.001 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.886 10.540 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.450 9.374 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.024 8.789 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.466 8.025 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -1.612 9.446 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.181 10.940 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -2.833 11.724 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.475 11.782 -1.277 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.717 8.402 -4.062 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.618 7.143 -4.785 1.00 0.00 C ATOM 1974 C GLY A 133 -1.427 5.965 -3.843 1.00 0.00 C ATOM 1975 O GLY A 133 -0.523 5.975 -3.009 1.00 0.00 O ATOM 0 H GLY A 133 -0.831 8.884 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.520 6.992 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.782 7.189 -5.483 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.284 4.956 -3.964 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.207 3.779 -3.104 1.00 0.00 C ATOM 1981 C PHE A 134 -2.114 2.494 -3.919 1.00 0.00 C ATOM 1982 O PHE A 134 -2.878 2.287 -4.860 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.433 3.712 -2.189 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.411 4.724 -1.082 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.385 4.728 -0.154 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.413 5.676 -0.973 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.354 5.663 0.862 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.390 6.612 0.041 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.357 6.607 0.959 1.00 0.00 C ATOM 0 H PHE A 134 -3.040 4.929 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.302 3.871 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.332 3.860 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.499 2.714 -1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.599 3.991 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.221 5.685 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.547 5.656 1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.178 7.347 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.334 7.341 1.751 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.188 1.622 -3.532 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.009 0.343 -4.207 1.00 0.00 C ATOM 2001 C ALA A 135 -1.910 -0.707 -3.569 1.00 0.00 C ATOM 2002 O ALA A 135 -1.644 -1.171 -2.461 1.00 0.00 O ATOM 2003 CB ALA A 135 0.448 -0.090 -4.144 1.00 0.00 C ATOM 0 H ALA A 135 -0.549 1.779 -2.753 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.286 0.452 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.565 -1.047 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.072 0.659 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.752 -0.193 -3.102 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.989 -1.057 -4.260 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.945 -2.030 -3.738 1.00 0.00 C ATOM 2011 C ASP A 136 -3.352 -3.430 -3.653 1.00 0.00 C ATOM 2012 O ASP A 136 -2.540 -3.831 -4.487 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.203 -2.061 -4.608 1.00 0.00 C ATOM 2014 CG ASP A 136 -4.883 -2.165 -6.086 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -4.425 -3.243 -6.518 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -5.094 -1.170 -6.810 1.00 0.00 O ATOM 0 H ASP A 136 -3.224 -0.684 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.202 -1.713 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.824 -2.907 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.788 -1.159 -4.429 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.791 -4.175 -2.641 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.341 -5.546 -2.433 1.00 0.00 C ATOM 2023 C VAL A 137 -4.249 -6.524 -3.187 1.00 0.00 C ATOM 2024 O VAL A 137 -4.162 -7.737 -3.007 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.328 -5.901 -0.927 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.855 -7.330 -0.699 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.454 -4.922 -0.157 1.00 0.00 C ATOM 0 H VAL A 137 -4.464 -3.847 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.325 -5.629 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.350 -5.824 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.857 -7.548 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.524 -8.021 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.844 -7.446 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.456 -5.186 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.434 -4.966 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.845 -3.912 -0.279 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.122 -5.978 -4.036 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.049 -6.785 -4.820 1.00 0.00 C ATOM 2039 C ARG A 138 -5.326 -7.558 -5.925 1.00 0.00 C ATOM 2040 O ARG A 138 -5.930 -8.387 -6.605 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.130 -5.892 -5.433 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.787 -4.954 -4.431 1.00 0.00 C ATOM 2043 CD ARG A 138 -8.691 -5.706 -3.468 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.101 -5.593 -3.837 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.743 -6.467 -4.610 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.111 -7.525 -5.106 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -12.026 -6.283 -4.890 1.00 0.00 N ATOM 0 H ARG A 138 -5.204 -4.974 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.510 -7.510 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.689 -5.301 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -7.896 -6.522 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.018 -4.424 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.368 -4.201 -4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -8.405 -6.758 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -8.548 -5.318 -2.459 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.626 -4.795 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.124 -7.674 -4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.613 -8.188 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -12.519 -5.473 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.520 -6.951 -5.482 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.035 -7.284 -6.105 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.251 -7.959 -7.132 1.00 0.00 C ATOM 2063 C ASP A 139 -2.413 -9.092 -6.540 1.00 0.00 C ATOM 2064 O ASP A 139 -1.538 -9.640 -7.210 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.339 -6.960 -7.845 1.00 0.00 C ATOM 2066 CG ASP A 139 -1.632 -7.571 -9.039 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -2.258 -7.665 -10.116 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -0.454 -7.958 -8.896 1.00 0.00 O ATOM 0 H ASP A 139 -3.514 -6.602 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 139 -3.948 -8.390 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.929 -6.105 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.597 -6.583 -7.141 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.682 -9.440 -5.284 1.00 0.00 N ATOM 2074 CA LEU A 140 -1.947 -10.506 -4.615 1.00 0.00 C ATOM 2075 C LEU A 140 -2.534 -10.782 -3.237 1.00 0.00 C ATOM 2076 O LEU A 140 -1.808 -11.000 -2.273 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.453 -10.149 -4.508 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.091 -8.929 -3.639 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.198 -7.888 -3.637 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.230 -9.359 -2.217 1.00 0.00 C ATOM 0 H LEU A 140 -3.402 -8.999 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.040 -11.413 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 140 0.076 -11.016 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.072 -9.974 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 140 0.795 -8.470 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.903 -7.044 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.374 -7.542 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.112 -8.330 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.483 -8.483 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.637 -9.856 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.075 -10.047 -2.227 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.861 -10.765 -3.156 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.559 -11.003 -1.898 1.00 0.00 C ATOM 2094 C LEU A 141 -4.200 -12.357 -1.291 1.00 0.00 C ATOM 2095 O LEU A 141 -4.307 -12.546 -0.081 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.070 -10.912 -2.105 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.780 -9.918 -1.186 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.261 -10.030 0.239 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.615 -8.498 -1.708 1.00 0.00 C ATOM 0 H LEU A 141 -4.476 -10.588 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.239 -10.230 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.265 -10.633 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.504 -11.900 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.843 -10.161 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.782 -9.313 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.437 -11.039 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.192 -9.819 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.127 -7.804 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.555 -8.247 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.045 -8.425 -2.707 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.789 -13.301 -2.134 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.430 -14.641 -1.669 1.00 0.00 C ATOM 2113 C TRP A 142 -2.508 -14.590 -0.448 1.00 0.00 C ATOM 2114 O TRP A 142 -1.283 -14.607 -0.576 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.775 -15.448 -2.796 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.615 -14.758 -3.448 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.661 -13.670 -4.272 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.234 -15.120 -3.339 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.393 -13.328 -4.673 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.500 -14.204 -4.115 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.455 -16.127 -2.658 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.886 -14.266 -4.227 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.830 -16.188 -2.771 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.533 -15.262 -3.550 1.00 0.00 C ATOM 0 H TRP A 142 -3.696 -13.165 -3.141 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.352 -15.138 -1.369 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.437 -16.404 -2.395 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.526 -15.668 -3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.563 -13.154 -4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.155 -12.549 -5.286 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.079 -16.845 -2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.431 -13.553 -4.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.372 -16.963 -2.250 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.608 -15.336 -3.618 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.117 -14.537 0.735 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.379 -14.494 1.995 1.00 0.00 C ATOM 2137 C LEU A 143 -3.223 -15.092 3.117 1.00 0.00 C ATOM 2138 O LEU A 143 -2.745 -15.915 3.898 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.992 -13.055 2.360 1.00 0.00 C ATOM 2140 CG LEU A 143 -0.987 -12.374 1.424 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.719 -11.573 0.365 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.049 -11.473 2.214 1.00 0.00 C ATOM 0 H LEU A 143 -4.131 -14.523 0.847 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.467 -15.078 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.899 -12.451 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.578 -13.055 3.368 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.392 -13.144 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -0.995 -11.094 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.356 -12.238 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.333 -10.811 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.658 -10.998 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.628 -10.707 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.497 -12.068 2.946 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.482 -14.670 3.185 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.403 -15.157 4.206 1.00 0.00 C ATOM 2156 C GLU A 144 -6.853 -14.953 3.769 1.00 0.00 C ATOM 2157 O GLU A 144 -7.121 -14.614 2.616 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.147 -14.442 5.536 1.00 0.00 C ATOM 2159 CG GLU A 144 -4.389 -15.289 6.545 1.00 0.00 C ATOM 2160 CD GLU A 144 -5.189 -15.553 7.806 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -5.931 -14.646 8.239 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -5.077 -16.668 8.358 1.00 0.00 O ATOM 0 H GLU A 144 -4.889 -13.990 2.543 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.231 -16.225 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.584 -13.528 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -6.102 -14.144 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -4.119 -16.240 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -3.458 -14.787 6.809 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.783 -15.164 4.695 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.204 -15.008 4.404 1.00 0.00 C ATOM 2171 C ASP A 145 -9.521 -13.590 3.933 1.00 0.00 C ATOM 2172 O ASP A 145 -9.088 -12.611 4.538 1.00 0.00 O ATOM 2173 CB ASP A 145 -10.038 -15.342 5.642 1.00 0.00 C ATOM 2174 CG ASP A 145 -11.499 -15.574 5.309 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -11.847 -16.710 4.923 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -12.294 -14.620 5.435 1.00 0.00 O ATOM 0 H ASP A 145 -7.578 -15.444 5.654 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.458 -15.700 3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.631 -16.233 6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -9.957 -14.528 6.362 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.286 -13.494 2.849 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.673 -12.202 2.289 1.00 0.00 C ATOM 2183 C ASP A 146 -12.134 -11.894 2.610 1.00 0.00 C ATOM 2184 O ASP A 146 -12.935 -12.806 2.821 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.455 -12.195 0.775 1.00 0.00 C ATOM 2186 CG ASP A 146 -11.310 -13.224 0.062 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -12.500 -12.938 -0.188 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -10.790 -14.318 -0.246 1.00 0.00 O ATOM 0 H ASP A 146 -10.651 -14.298 2.339 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.049 -11.430 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.682 -11.204 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -9.404 -12.389 0.561 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.481 -10.609 2.648 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.850 -10.204 2.947 1.00 0.00 C ATOM 2195 C ALA A 147 -14.813 -10.691 1.870 1.00 0.00 C ATOM 2196 O ALA A 147 -14.479 -10.709 0.686 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.935 -8.692 3.092 1.00 0.00 C ATOM 0 H ALA A 147 -11.837 -9.837 2.477 1.00 0.00 H new ATOM 0 HA ALA A 147 -14.141 -10.663 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.963 -8.405 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -13.283 -8.367 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.620 -8.219 2.162 1.00 0.00 H new ATOM 2203 N MET A 148 -16.011 -11.086 2.290 1.00 0.00 N ATOM 2204 CA MET A 148 -17.024 -11.574 1.360 1.00 0.00 C ATOM 2205 C MET A 148 -17.885 -10.428 0.841 1.00 0.00 C ATOM 2206 O MET A 148 -18.157 -9.467 1.561 1.00 0.00 O ATOM 2207 CB MET A 148 -17.906 -12.622 2.041 1.00 0.00 C ATOM 2208 CG MET A 148 -17.332 -14.030 1.981 1.00 0.00 C ATOM 2209 SD MET A 148 -17.153 -14.781 3.611 1.00 0.00 S ATOM 2210 CE MET A 148 -15.899 -13.727 4.334 1.00 0.00 C ATOM 0 H MET A 148 -16.304 -11.078 3.267 1.00 0.00 H new ATOM 0 HA MET A 148 -16.513 -12.032 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 148 -18.051 -12.341 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.889 -12.619 1.571 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.980 -14.656 1.367 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.359 -14.000 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 148 -15.297 -14.306 5.034 1.00 0.00 H new ATOM 0 HE2 MET A 148 -15.259 -13.330 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 148 -16.377 -12.902 4.862 1.00 0.00 H new ATOM 2220 N GLU A 149 -18.311 -10.536 -0.414 1.00 0.00 N ATOM 2221 CA GLU A 149 -19.142 -9.508 -1.030 1.00 0.00 C ATOM 2222 C GLU A 149 -20.176 -10.133 -1.962 1.00 0.00 C ATOM 2223 O GLU A 149 -21.358 -9.793 -1.911 1.00 0.00 O ATOM 2224 CB GLU A 149 -18.271 -8.516 -1.804 1.00 0.00 C ATOM 2225 CG GLU A 149 -18.713 -7.069 -1.650 1.00 0.00 C ATOM 2226 CD GLU A 149 -17.614 -6.177 -1.108 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -17.114 -6.459 0.001 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -17.253 -5.197 -1.792 1.00 0.00 O ATOM 0 H GLU A 149 -18.094 -11.325 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 149 -19.669 -8.976 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -17.239 -8.610 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -18.285 -8.781 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -19.040 -6.688 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -19.573 -7.025 -0.982 1.00 0.00 H new ATOM 2235 N GLN A 150 -19.724 -11.047 -2.813 1.00 0.00 N ATOM 2236 CA GLN A 150 -20.610 -11.719 -3.755 1.00 0.00 C ATOM 2237 C GLN A 150 -21.310 -12.903 -3.094 1.00 0.00 C ATOM 2238 O GLN A 150 -21.138 -13.082 -1.870 1.00 0.00 O ATOM 2239 CB GLN A 150 -19.821 -12.193 -4.980 1.00 0.00 C ATOM 2240 CG GLN A 150 -20.048 -11.338 -6.216 1.00 0.00 C ATOM 2241 CD GLN A 150 -21.460 -11.456 -6.755 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -22.394 -11.770 -6.016 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -21.623 -11.205 -8.048 1.00 0.00 N ATOM 2244 OXT GLN A 150 -22.022 -13.641 -3.806 1.00 0.00 O ATOM 0 H GLN A 150 -18.748 -11.340 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 150 -21.369 -11.005 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.758 -12.194 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -20.098 -13.223 -5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -19.841 -10.295 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -19.341 -11.632 -6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -20.820 -10.948 -8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -22.551 -11.269 -8.467 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.685 -1.452 1.971 1.00 0.00 ZN