USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 57 LYS NZ :NH3+ 156:sc= 3.09 (180deg=1.45) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.61 K(o=4.7,f=-11!) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.0898 X(o=0.013,f=-0.18) USER MOD Set 2.2: A 67 GLN : amide:sc= -0.0772 X(o=0.013,f=-0.17) USER MOD Set 3.1: A 39 LYS NZ :NH3+ 162:sc= 0.214 (180deg=-0.253) USER MOD Set 3.2: A 44 HIS : no HE2:sc= -0.5 K(o=-0.29,f=-3.8) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.15 K(o=-1.1,f=-10!) USER MOD Set 4.2: A 34 GLN : amide:sc= -2.23! K(o=-1.1!,f=-2.1) USER MOD Set 5.1: A 24 HIS : no HE2:sc= 0.911 K(o=0.65,f=-3.6!) USER MOD Set 5.2: A 28 GLN : amide:sc= -0.261 X(o=0.65,f=0.88) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.126 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0825 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -89:sc= 1.1 USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.09) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 0.624 (180deg=0.556) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 1.11 (180deg=0.765) USER MOD Single : A 16 MET CE :methyl 171:sc= 0 (180deg=-0.0507) USER MOD Single : A 17 MET CE :methyl -174:sc= 0 (180deg=-0.0187) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= 0.712 (180deg=-0.692!) USER MOD Single : A 29 SER OG : rot -25:sc= 1.21 USER MOD Single : A 38 HIS :FLIP no HE2:sc= -0.233 F(o=-1,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.28) USER MOD Single : A 46 THR OG1 : rot -63:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00819) USER MOD Single : A 70 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.88) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 81 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.9!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 1.15 K(o=1.1,f=-3.6!) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 0.666 (180deg=0.575) USER MOD Single : A 88 TYR OH : rot -170:sc= 1.21 USER MOD Single : A 95 GLN : amide:sc= 0.776 K(o=0.78,f=-0.38) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.15) USER MOD Single : A 105 LYS NZ :NH3+ -178:sc= -0.0569 (180deg=-0.0765) USER MOD Single : A 109 SER OG : rot -26:sc= 1.23 USER MOD Single : A 111 SER OG : rot -81:sc= 0.712 USER MOD Single : A 112 SER OG : rot 41:sc= 1.19 USER MOD Single : A 114 TYR OH : rot -106:sc= 0.673 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.483 26.788 3.503 1.00 0.00 N ATOM 2 CA GLY A 1 12.668 26.619 2.275 1.00 0.00 C ATOM 3 C GLY A 1 12.316 27.949 1.667 1.00 0.00 C ATOM 4 O GLY A 1 12.791 28.963 2.151 1.00 0.00 O ATOM 0 H1 GLY A 1 14.373 26.259 3.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.694 27.797 3.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.954 26.427 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.218 26.019 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.756 26.073 2.514 1.00 0.00 H new ATOM 10 N SER A 2 11.488 27.964 0.630 1.00 0.00 N ATOM 11 CA SER A 2 11.073 29.222 0.005 1.00 0.00 C ATOM 12 C SER A 2 10.097 29.931 0.948 1.00 0.00 C ATOM 13 O SER A 2 9.556 29.296 1.864 1.00 0.00 O ATOM 14 CB SER A 2 10.378 28.930 -1.331 1.00 0.00 C ATOM 15 OG SER A 2 9.150 28.260 -1.111 1.00 0.00 O ATOM 0 H SER A 2 11.091 27.127 0.203 1.00 0.00 H new ATOM 0 HA SER A 2 11.942 29.853 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.200 29.862 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.026 28.319 -1.960 1.00 0.00 H new ATOM 0 HG SER A 2 8.716 28.081 -1.971 1.00 0.00 H new ATOM 21 N PRO A 3 9.843 31.242 0.741 1.00 0.00 N ATOM 22 CA PRO A 3 8.841 31.882 1.607 1.00 0.00 C ATOM 23 C PRO A 3 7.477 31.199 1.548 1.00 0.00 C ATOM 24 O PRO A 3 6.751 31.167 2.538 1.00 0.00 O ATOM 25 CB PRO A 3 8.753 33.307 1.043 1.00 0.00 C ATOM 26 CG PRO A 3 10.062 33.525 0.380 1.00 0.00 C ATOM 27 CD PRO A 3 10.387 32.202 -0.240 1.00 0.00 C ATOM 0 HA PRO A 3 9.126 31.834 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.929 33.404 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.582 34.037 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.001 34.312 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.826 33.827 1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.921 32.088 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.460 32.073 -0.380 1.00 0.00 H new ATOM 35 N GLU A 4 7.134 30.631 0.397 1.00 0.00 N ATOM 36 CA GLU A 4 5.875 29.905 0.265 1.00 0.00 C ATOM 37 C GLU A 4 5.858 28.694 1.177 1.00 0.00 C ATOM 38 O GLU A 4 4.893 28.469 1.874 1.00 0.00 O ATOM 39 CB GLU A 4 5.655 29.419 -1.160 1.00 0.00 C ATOM 40 CG GLU A 4 5.292 30.508 -2.132 1.00 0.00 C ATOM 41 CD GLU A 4 4.551 29.944 -3.327 1.00 0.00 C ATOM 42 OE1 GLU A 4 3.631 30.612 -3.829 1.00 0.00 O ATOM 43 OE2 GLU A 4 4.870 28.813 -3.755 1.00 0.00 O ATOM 0 H GLU A 4 7.702 30.658 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 4 5.082 30.601 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.562 28.924 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.864 28.670 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.672 31.253 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.196 31.017 -2.467 1.00 0.00 H new ATOM 50 N PHE A 5 6.929 27.915 1.189 1.00 0.00 N ATOM 51 CA PHE A 5 6.966 26.724 2.035 1.00 0.00 C ATOM 52 C PHE A 5 6.963 27.092 3.513 1.00 0.00 C ATOM 53 O PHE A 5 6.616 26.272 4.346 1.00 0.00 O ATOM 54 CB PHE A 5 8.170 25.844 1.703 1.00 0.00 C ATOM 55 CG PHE A 5 7.882 24.824 0.632 1.00 0.00 C ATOM 56 CD1 PHE A 5 7.156 23.656 0.944 1.00 0.00 C ATOM 57 CD2 PHE A 5 8.320 25.020 -0.691 1.00 0.00 C ATOM 58 CE1 PHE A 5 6.868 22.693 -0.056 1.00 0.00 C ATOM 59 CE2 PHE A 5 8.031 24.066 -1.700 1.00 0.00 C ATOM 60 CZ PHE A 5 7.303 22.900 -1.377 1.00 0.00 C ATOM 0 H PHE A 5 7.770 28.078 0.636 1.00 0.00 H new ATOM 0 HA PHE A 5 6.061 26.152 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.997 26.477 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.497 25.330 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.816 23.493 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.883 25.907 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.315 21.801 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.367 24.231 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.081 22.170 -2.142 1.00 0.00 H new ATOM 70 N ASN A 6 7.321 28.324 3.844 1.00 0.00 N ATOM 71 CA ASN A 6 7.220 28.782 5.228 1.00 0.00 C ATOM 72 C ASN A 6 5.763 29.168 5.524 1.00 0.00 C ATOM 73 O ASN A 6 5.208 28.810 6.556 1.00 0.00 O ATOM 74 CB ASN A 6 8.136 29.981 5.476 1.00 0.00 C ATOM 75 CG ASN A 6 8.231 30.331 6.936 1.00 0.00 C ATOM 76 OD1 ASN A 6 8.513 29.486 7.759 1.00 0.00 O ATOM 77 ND2 ASN A 6 7.997 31.573 7.261 1.00 0.00 N ATOM 0 H ASN A 6 7.679 29.017 3.187 1.00 0.00 H new ATOM 0 HA ASN A 6 7.533 27.975 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.132 29.761 5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.763 30.842 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.048 31.863 8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.763 32.254 6.538 1.00 0.00 H new ATOM 84 N ARG A 7 5.146 29.893 4.597 1.00 0.00 N ATOM 85 CA ARG A 7 3.741 30.319 4.721 1.00 0.00 C ATOM 86 C ARG A 7 2.812 29.112 4.800 1.00 0.00 C ATOM 87 O ARG A 7 1.824 29.100 5.538 1.00 0.00 O ATOM 88 CB ARG A 7 3.373 31.157 3.488 1.00 0.00 C ATOM 89 CG ARG A 7 1.979 31.771 3.514 1.00 0.00 C ATOM 90 CD ARG A 7 1.682 32.443 2.180 1.00 0.00 C ATOM 91 NE ARG A 7 0.376 33.125 2.181 1.00 0.00 N ATOM 92 CZ ARG A 7 -0.173 33.727 1.130 1.00 0.00 C ATOM 93 NH1 ARG A 7 0.407 33.754 -0.046 1.00 0.00 N ATOM 94 NH2 ARG A 7 -1.331 34.312 1.266 1.00 0.00 N ATOM 0 H ARG A 7 5.597 30.205 3.737 1.00 0.00 H new ATOM 0 HA ARG A 7 3.626 30.903 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.104 31.959 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.459 30.528 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.236 30.999 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.908 32.500 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.467 33.165 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.700 31.696 1.386 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.148 33.136 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.312 33.303 -0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.047 34.226 -0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.803 34.304 2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.764 34.778 0.468 1.00 0.00 H new ATOM 108 N TYR A 8 3.143 28.105 4.016 1.00 0.00 N ATOM 109 CA TYR A 8 2.353 26.892 3.903 1.00 0.00 C ATOM 110 C TYR A 8 2.901 25.763 4.764 1.00 0.00 C ATOM 111 O TYR A 8 2.501 24.616 4.610 1.00 0.00 O ATOM 112 CB TYR A 8 2.354 26.445 2.437 1.00 0.00 C ATOM 113 CG TYR A 8 1.814 27.486 1.465 1.00 0.00 C ATOM 114 CD1 TYR A 8 0.686 28.275 1.786 1.00 0.00 C ATOM 115 CD2 TYR A 8 2.425 27.682 0.208 1.00 0.00 C ATOM 116 CE1 TYR A 8 0.176 29.227 0.869 1.00 0.00 C ATOM 117 CE2 TYR A 8 1.920 28.647 -0.708 1.00 0.00 C ATOM 118 CZ TYR A 8 0.799 29.403 -0.367 1.00 0.00 C ATOM 119 OH TYR A 8 0.299 30.327 -1.248 1.00 0.00 O ATOM 0 H TYR A 8 3.979 28.105 3.431 1.00 0.00 H new ATOM 0 HA TYR A 8 1.344 27.113 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.373 26.189 2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.759 25.536 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.205 28.150 2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.288 27.091 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.693 29.815 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.403 28.793 -1.663 1.00 0.00 H new ATOM 0 HH TYR A 8 0.844 30.331 -2.062 1.00 0.00 H new ATOM 129 N SER A 9 3.825 26.080 5.661 1.00 0.00 N ATOM 130 CA SER A 9 4.504 25.052 6.454 1.00 0.00 C ATOM 131 C SER A 9 3.561 24.116 7.193 1.00 0.00 C ATOM 132 O SER A 9 3.790 22.914 7.223 1.00 0.00 O ATOM 133 CB SER A 9 5.440 25.708 7.466 1.00 0.00 C ATOM 134 OG SER A 9 4.738 26.672 8.234 1.00 0.00 O ATOM 0 H SER A 9 4.124 27.035 5.861 1.00 0.00 H new ATOM 0 HA SER A 9 5.058 24.445 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.865 24.949 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.272 26.183 6.947 1.00 0.00 H new ATOM 0 HG SER A 9 4.774 27.540 7.781 1.00 0.00 H new ATOM 140 N LYS A 10 2.509 24.661 7.787 1.00 0.00 N ATOM 141 CA LYS A 10 1.572 23.849 8.569 1.00 0.00 C ATOM 142 C LYS A 10 0.848 22.782 7.740 1.00 0.00 C ATOM 143 O LYS A 10 0.733 21.641 8.170 1.00 0.00 O ATOM 144 CB LYS A 10 0.591 24.745 9.367 1.00 0.00 C ATOM 145 CG LYS A 10 -0.591 25.414 8.605 1.00 0.00 C ATOM 146 CD LYS A 10 -0.174 26.454 7.548 1.00 0.00 C ATOM 147 CE LYS A 10 -1.398 27.208 7.030 1.00 0.00 C ATOM 148 NZ LYS A 10 -1.056 28.116 5.884 1.00 0.00 N ATOM 0 H LYS A 10 2.279 25.654 7.746 1.00 0.00 H new ATOM 0 HA LYS A 10 2.171 23.289 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.168 24.141 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.173 25.537 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.177 24.635 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.245 25.897 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.537 27.157 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.332 25.958 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.157 26.493 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.832 27.794 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.895 28.671 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.291 28.760 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.745 27.547 5.071 1.00 0.00 H new ATOM 162 N GLU A 11 0.376 23.131 6.555 1.00 0.00 N ATOM 163 CA GLU A 11 -0.346 22.169 5.728 1.00 0.00 C ATOM 164 C GLU A 11 0.637 21.264 5.018 1.00 0.00 C ATOM 165 O GLU A 11 0.366 20.093 4.828 1.00 0.00 O ATOM 166 CB GLU A 11 -1.223 22.889 4.714 1.00 0.00 C ATOM 167 CG GLU A 11 -2.432 23.570 5.346 1.00 0.00 C ATOM 168 CD GLU A 11 -3.410 22.567 5.919 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.022 21.819 5.131 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.570 22.506 7.160 1.00 0.00 O ATOM 0 H GLU A 11 0.476 24.060 6.145 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.987 21.566 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.625 23.635 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.566 22.174 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.098 24.243 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.936 24.182 4.598 1.00 0.00 H new ATOM 177 N HIS A 12 1.792 21.800 4.650 1.00 0.00 N ATOM 178 CA HIS A 12 2.832 21.000 4.013 1.00 0.00 C ATOM 179 C HIS A 12 3.279 19.884 4.953 1.00 0.00 C ATOM 180 O HIS A 12 3.359 18.732 4.552 1.00 0.00 O ATOM 181 CB HIS A 12 4.024 21.884 3.644 1.00 0.00 C ATOM 182 CG HIS A 12 5.241 21.115 3.232 1.00 0.00 C ATOM 183 ND1 HIS A 12 6.454 21.204 3.865 1.00 0.00 N ATOM 184 CD2 HIS A 12 5.428 20.201 2.235 1.00 0.00 C ATOM 185 CE1 HIS A 12 7.304 20.385 3.256 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.736 19.753 2.252 1.00 0.00 N ATOM 0 H HIS A 12 2.034 22.782 4.780 1.00 0.00 H new ATOM 0 HA HIS A 12 2.429 20.556 3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.733 22.549 2.831 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.275 22.514 4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.669 19.877 1.538 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.335 20.254 3.549 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.168 19.077 1.621 1.00 0.00 H new ATOM 194 N MET A 13 3.561 20.205 6.212 1.00 0.00 N ATOM 195 CA MET A 13 3.984 19.163 7.144 1.00 0.00 C ATOM 196 C MET A 13 2.819 18.224 7.449 1.00 0.00 C ATOM 197 O MET A 13 3.028 17.032 7.636 1.00 0.00 O ATOM 198 CB MET A 13 4.591 19.744 8.436 1.00 0.00 C ATOM 199 CG MET A 13 3.603 20.411 9.393 1.00 0.00 C ATOM 200 SD MET A 13 4.411 21.041 10.884 1.00 0.00 S ATOM 201 CE MET A 13 5.199 22.550 10.286 1.00 0.00 C ATOM 0 H MET A 13 3.508 21.146 6.602 1.00 0.00 H new ATOM 0 HA MET A 13 4.777 18.591 6.663 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.099 18.941 8.970 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.352 20.475 8.161 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.101 21.231 8.880 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.833 19.693 9.675 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.730 23.033 11.106 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.905 22.302 9.493 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.439 23.228 9.897 1.00 0.00 H new ATOM 211 N LYS A 14 1.594 18.744 7.484 1.00 0.00 N ATOM 212 CA LYS A 14 0.427 17.896 7.739 1.00 0.00 C ATOM 213 C LYS A 14 0.276 16.882 6.615 1.00 0.00 C ATOM 214 O LYS A 14 0.058 15.703 6.877 1.00 0.00 O ATOM 215 CB LYS A 14 -0.841 18.743 7.864 1.00 0.00 C ATOM 216 CG LYS A 14 -2.062 17.954 8.342 1.00 0.00 C ATOM 217 CD LYS A 14 -3.304 18.838 8.412 1.00 0.00 C ATOM 218 CE LYS A 14 -3.890 19.099 7.027 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.020 20.078 7.095 1.00 0.00 N ATOM 0 H LYS A 14 1.383 19.732 7.342 1.00 0.00 H new ATOM 0 HA LYS A 14 0.576 17.368 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.654 19.562 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.065 19.191 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.245 17.119 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.860 17.529 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.055 18.361 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.049 19.787 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.112 19.482 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.242 18.162 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.047 20.639 6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.918 19.565 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.882 20.712 7.908 1.00 0.00 H new ATOM 233 N LYS A 15 0.405 17.340 5.374 1.00 0.00 N ATOM 234 CA LYS A 15 0.339 16.453 4.215 1.00 0.00 C ATOM 235 C LYS A 15 1.454 15.443 4.331 1.00 0.00 C ATOM 236 O LYS A 15 1.196 14.263 4.377 1.00 0.00 O ATOM 237 CB LYS A 15 0.490 17.231 2.898 1.00 0.00 C ATOM 238 CG LYS A 15 -0.830 17.747 2.302 1.00 0.00 C ATOM 239 CD LYS A 15 -1.297 16.883 1.110 1.00 0.00 C ATOM 240 CE LYS A 15 -1.937 15.567 1.561 1.00 0.00 C ATOM 241 NZ LYS A 15 -2.122 14.627 0.417 1.00 0.00 N ATOM 0 H LYS A 15 0.556 18.322 5.144 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.635 15.963 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.153 18.080 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.977 16.587 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.601 17.750 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.702 18.779 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.014 17.448 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.445 16.668 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.311 15.098 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.902 15.771 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.094 13.647 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.041 14.807 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.360 14.770 -0.277 1.00 0.00 H new ATOM 255 N MET A 16 2.688 15.914 4.407 1.00 0.00 N ATOM 256 CA MET A 16 3.852 15.032 4.498 1.00 0.00 C ATOM 257 C MET A 16 3.687 13.951 5.567 1.00 0.00 C ATOM 258 O MET A 16 3.896 12.774 5.294 1.00 0.00 O ATOM 259 CB MET A 16 5.103 15.864 4.798 1.00 0.00 C ATOM 260 CG MET A 16 6.389 15.048 4.895 1.00 0.00 C ATOM 261 SD MET A 16 7.817 16.069 5.328 1.00 0.00 S ATOM 262 CE MET A 16 7.530 16.346 7.102 1.00 0.00 C ATOM 0 H MET A 16 2.916 16.908 4.408 1.00 0.00 H new ATOM 0 HA MET A 16 3.952 14.526 3.538 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.221 16.616 4.018 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.954 16.399 5.736 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.265 14.265 5.643 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.575 14.552 3.942 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.406 16.823 7.542 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.661 16.991 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.350 15.391 7.595 1.00 0.00 H new ATOM 272 N MET A 17 3.305 14.327 6.780 1.00 0.00 N ATOM 273 CA MET A 17 3.161 13.336 7.846 1.00 0.00 C ATOM 274 C MET A 17 2.031 12.350 7.564 1.00 0.00 C ATOM 275 O MET A 17 2.173 11.166 7.835 1.00 0.00 O ATOM 276 CB MET A 17 2.922 14.014 9.196 1.00 0.00 C ATOM 277 CG MET A 17 4.151 14.753 9.725 1.00 0.00 C ATOM 278 SD MET A 17 3.892 15.441 11.381 1.00 0.00 S ATOM 279 CE MET A 17 2.764 16.806 11.051 1.00 0.00 C ATOM 0 H MET A 17 3.093 15.287 7.050 1.00 0.00 H new ATOM 0 HA MET A 17 4.097 12.779 7.882 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.096 14.719 9.100 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.617 13.262 9.924 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.999 14.069 9.749 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.410 15.558 9.038 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.608 17.378 11.965 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.191 17.454 10.286 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.809 16.413 10.702 1.00 0.00 H new ATOM 289 N LYS A 18 0.918 12.818 7.016 1.00 0.00 N ATOM 290 CA LYS A 18 -0.210 11.924 6.739 1.00 0.00 C ATOM 291 C LYS A 18 0.056 11.032 5.534 1.00 0.00 C ATOM 292 O LYS A 18 -0.286 9.857 5.536 1.00 0.00 O ATOM 293 CB LYS A 18 -1.492 12.738 6.510 1.00 0.00 C ATOM 294 CG LYS A 18 -2.752 11.882 6.299 1.00 0.00 C ATOM 295 CD LYS A 18 -3.063 11.014 7.522 1.00 0.00 C ATOM 296 CE LYS A 18 -4.234 10.095 7.263 1.00 0.00 C ATOM 297 NZ LYS A 18 -4.470 9.233 8.465 1.00 0.00 N ATOM 0 H LYS A 18 0.767 13.793 6.756 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.337 11.282 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.651 13.394 7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.352 13.379 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.602 12.532 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.616 11.244 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.185 10.423 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.282 11.653 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.127 10.680 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.035 9.473 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.471 8.954 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.876 8.382 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.227 9.764 9.326 1.00 0.00 H new ATOM 311 N ASP A 19 0.675 11.585 4.511 1.00 0.00 N ATOM 312 CA ASP A 19 0.975 10.827 3.306 1.00 0.00 C ATOM 313 C ASP A 19 2.033 9.779 3.627 1.00 0.00 C ATOM 314 O ASP A 19 2.002 8.681 3.093 1.00 0.00 O ATOM 315 CB ASP A 19 1.458 11.754 2.193 1.00 0.00 C ATOM 316 CG ASP A 19 0.396 12.766 1.770 1.00 0.00 C ATOM 317 OD1 ASP A 19 0.767 13.924 1.502 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.808 12.421 1.710 1.00 0.00 O ATOM 0 H ASP A 19 0.982 12.557 4.487 1.00 0.00 H new ATOM 0 HA ASP A 19 0.069 10.331 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.348 12.286 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.750 11.157 1.329 1.00 0.00 H new ATOM 323 N LEU A 20 2.967 10.093 4.518 1.00 0.00 N ATOM 324 CA LEU A 20 3.966 9.096 4.911 1.00 0.00 C ATOM 325 C LEU A 20 3.416 8.108 5.929 1.00 0.00 C ATOM 326 O LEU A 20 3.910 6.992 6.021 1.00 0.00 O ATOM 327 CB LEU A 20 5.248 9.743 5.426 1.00 0.00 C ATOM 328 CG LEU A 20 6.035 10.502 4.344 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.303 11.086 4.964 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.401 9.611 3.132 1.00 0.00 C ATOM 0 H LEU A 20 3.057 11.002 4.973 1.00 0.00 H new ATOM 0 HA LEU A 20 4.214 8.539 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.998 10.433 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.888 8.971 5.854 1.00 0.00 H new ATOM 0 HG LEU A 20 5.392 11.297 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.865 11.625 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.033 11.770 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.917 10.279 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.955 10.200 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.017 8.776 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.489 9.228 2.673 1.00 0.00 H new ATOM 342 N GLU A 21 2.377 8.484 6.664 1.00 0.00 N ATOM 343 CA GLU A 21 1.672 7.522 7.517 1.00 0.00 C ATOM 344 C GLU A 21 1.090 6.508 6.538 1.00 0.00 C ATOM 345 O GLU A 21 1.145 5.300 6.754 1.00 0.00 O ATOM 346 CB GLU A 21 0.546 8.200 8.319 1.00 0.00 C ATOM 347 CG GLU A 21 -0.292 7.258 9.185 1.00 0.00 C ATOM 348 CD GLU A 21 -1.713 7.780 9.384 1.00 0.00 C ATOM 349 OE1 GLU A 21 -2.672 7.078 8.988 1.00 0.00 O ATOM 350 OE2 GLU A 21 -1.892 8.892 9.920 1.00 0.00 O ATOM 0 H GLU A 21 2.004 9.433 6.691 1.00 0.00 H new ATOM 0 HA GLU A 21 2.335 7.069 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.987 8.963 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.116 8.714 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.329 6.273 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.188 7.134 10.156 1.00 0.00 H new ATOM 357 N GLY A 22 0.555 7.021 5.438 1.00 0.00 N ATOM 358 CA GLY A 22 0.018 6.172 4.395 1.00 0.00 C ATOM 359 C GLY A 22 1.097 5.326 3.749 1.00 0.00 C ATOM 360 O GLY A 22 0.870 4.169 3.487 1.00 0.00 O ATOM 0 H GLY A 22 0.484 8.021 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.751 5.523 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.464 6.788 3.636 1.00 0.00 H new ATOM 364 N LEU A 23 2.276 5.881 3.496 1.00 0.00 N ATOM 365 CA LEU A 23 3.370 5.106 2.895 1.00 0.00 C ATOM 366 C LEU A 23 3.792 3.974 3.846 1.00 0.00 C ATOM 367 O LEU A 23 4.044 2.841 3.431 1.00 0.00 O ATOM 368 CB LEU A 23 4.553 6.023 2.571 1.00 0.00 C ATOM 369 CG LEU A 23 5.369 5.643 1.321 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.362 6.746 1.023 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.130 4.322 1.475 1.00 0.00 C ATOM 0 H LEU A 23 2.504 6.855 3.693 1.00 0.00 H new ATOM 0 HA LEU A 23 3.024 4.660 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.178 7.038 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.224 6.037 3.430 1.00 0.00 H new ATOM 0 HG LEU A 23 4.658 5.514 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.943 6.483 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.827 7.678 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.032 6.872 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.684 4.112 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.825 4.398 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.423 3.514 1.664 1.00 0.00 H new ATOM 383 N HIS A 24 3.844 4.270 5.135 1.00 0.00 N ATOM 384 CA HIS A 24 4.158 3.244 6.121 1.00 0.00 C ATOM 385 C HIS A 24 3.041 2.198 6.105 1.00 0.00 C ATOM 386 O HIS A 24 3.285 1.009 6.272 1.00 0.00 O ATOM 387 CB HIS A 24 4.314 3.862 7.509 1.00 0.00 C ATOM 388 CG HIS A 24 4.784 2.889 8.545 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.793 1.976 8.353 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.364 2.685 9.822 1.00 0.00 C ATOM 391 CE1 HIS A 24 5.936 1.273 9.469 1.00 0.00 C ATOM 392 NE2 HIS A 24 5.085 1.658 10.400 1.00 0.00 N ATOM 0 H HIS A 24 3.676 5.199 5.521 1.00 0.00 H new ATOM 0 HA HIS A 24 5.106 2.766 5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.020 4.690 7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.357 4.280 7.822 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.338 1.859 7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.581 3.244 10.313 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.660 0.483 9.599 1.00 0.00 H new ATOM 400 N ARG A 25 1.810 2.632 5.869 1.00 0.00 N ATOM 401 CA ARG A 25 0.696 1.693 5.722 1.00 0.00 C ATOM 402 C ARG A 25 0.775 0.931 4.399 1.00 0.00 C ATOM 403 O ARG A 25 0.205 -0.130 4.290 1.00 0.00 O ATOM 404 CB ARG A 25 -0.652 2.395 5.846 1.00 0.00 C ATOM 405 CG ARG A 25 -0.986 2.764 7.272 1.00 0.00 C ATOM 406 CD ARG A 25 -2.320 3.457 7.348 1.00 0.00 C ATOM 407 NE ARG A 25 -2.634 3.829 8.735 1.00 0.00 N ATOM 408 CZ ARG A 25 -3.814 4.258 9.163 1.00 0.00 C ATOM 409 NH1 ARG A 25 -4.847 4.377 8.362 1.00 0.00 N ATOM 410 NH2 ARG A 25 -3.963 4.552 10.425 1.00 0.00 N ATOM 0 H ARG A 25 1.555 3.615 5.775 1.00 0.00 H new ATOM 0 HA ARG A 25 0.781 0.974 6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.646 3.297 5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.433 1.746 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.002 1.866 7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.210 3.415 7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.309 4.348 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.098 2.802 6.957 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.885 3.751 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.757 4.136 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.739 4.710 8.727 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.178 4.451 11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.865 4.883 10.769 1.00 0.00 H new ATOM 424 N ALA A 26 1.497 1.446 3.415 1.00 0.00 N ATOM 425 CA ALA A 26 1.727 0.709 2.175 1.00 0.00 C ATOM 426 C ALA A 26 2.749 -0.398 2.461 1.00 0.00 C ATOM 427 O ALA A 26 2.677 -1.474 1.899 1.00 0.00 O ATOM 428 CB ALA A 26 2.217 1.637 1.056 1.00 0.00 C ATOM 0 H ALA A 26 1.933 2.367 3.448 1.00 0.00 H new ATOM 0 HA ALA A 26 0.791 0.271 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.379 1.057 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.468 2.406 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.153 2.108 1.357 1.00 0.00 H new ATOM 434 N GLU A 27 3.693 -0.160 3.362 1.00 0.00 N ATOM 435 CA GLU A 27 4.605 -1.247 3.771 1.00 0.00 C ATOM 436 C GLU A 27 3.755 -2.306 4.488 1.00 0.00 C ATOM 437 O GLU A 27 3.901 -3.545 4.315 1.00 0.00 O ATOM 438 CB GLU A 27 5.703 -0.739 4.706 1.00 0.00 C ATOM 439 CG GLU A 27 6.615 0.298 4.077 1.00 0.00 C ATOM 440 CD GLU A 27 7.697 0.751 5.039 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.888 0.506 4.752 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.358 1.344 6.089 1.00 0.00 O ATOM 0 H GLU A 27 3.854 0.739 3.816 1.00 0.00 H new ATOM 0 HA GLU A 27 5.101 -1.662 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.240 -0.310 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.305 -1.585 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.076 -0.118 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.025 1.158 3.762 1.00 0.00 H new ATOM 449 N GLN A 28 2.831 -1.803 5.284 1.00 0.00 N ATOM 450 CA GLN A 28 1.899 -2.665 5.970 1.00 0.00 C ATOM 451 C GLN A 28 1.006 -3.352 4.948 1.00 0.00 C ATOM 452 O GLN A 28 0.552 -4.411 5.230 1.00 0.00 O ATOM 453 CB GLN A 28 1.069 -1.900 7.004 1.00 0.00 C ATOM 454 CG GLN A 28 1.896 -1.373 8.177 1.00 0.00 C ATOM 455 CD GLN A 28 1.171 -0.307 8.974 1.00 0.00 C ATOM 456 OE1 GLN A 28 -0.040 -0.328 9.120 1.00 0.00 O ATOM 457 NE2 GLN A 28 1.914 0.632 9.491 1.00 0.00 N ATOM 0 H GLN A 28 2.709 -0.807 5.468 1.00 0.00 H new ATOM 0 HA GLN A 28 2.463 -3.418 6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.573 -1.062 6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.286 -2.554 7.386 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.152 -2.202 8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.833 -0.964 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.924 0.619 9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.485 1.379 10.037 1.00 0.00 H new ATOM 466 N SER A 29 0.770 -2.789 3.766 1.00 0.00 N ATOM 467 CA SER A 29 -0.040 -3.477 2.752 1.00 0.00 C ATOM 468 C SER A 29 0.761 -4.598 2.080 1.00 0.00 C ATOM 469 O SER A 29 0.189 -5.627 1.781 1.00 0.00 O ATOM 470 CB SER A 29 -0.633 -2.510 1.716 1.00 0.00 C ATOM 471 OG SER A 29 0.344 -1.976 0.850 1.00 0.00 O ATOM 0 H SER A 29 1.120 -1.873 3.485 1.00 0.00 H new ATOM 0 HA SER A 29 -0.886 -3.928 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.388 -3.032 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.139 -1.695 2.233 1.00 0.00 H new ATOM 0 HG SER A 29 1.218 -1.990 1.294 1.00 0.00 H new ATOM 477 N LEU A 30 2.077 -4.434 1.892 1.00 0.00 N ATOM 478 CA LEU A 30 2.947 -5.555 1.442 1.00 0.00 C ATOM 479 C LEU A 30 2.680 -6.646 2.484 1.00 0.00 C ATOM 480 O LEU A 30 2.288 -7.802 2.187 1.00 0.00 O ATOM 481 CB LEU A 30 4.457 -5.217 1.532 1.00 0.00 C ATOM 482 CG LEU A 30 5.216 -4.508 0.401 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.167 -3.008 0.437 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.700 -4.934 0.483 1.00 0.00 C ATOM 0 H LEU A 30 2.568 -3.552 2.039 1.00 0.00 H new ATOM 0 HA LEU A 30 2.732 -5.813 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.586 -4.605 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.976 -6.158 1.713 1.00 0.00 H new ATOM 0 HG LEU A 30 4.723 -4.806 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.733 -2.605 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.131 -2.676 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.602 -2.652 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.264 -4.444 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.109 -4.644 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.775 -6.015 0.367 1.00 0.00 H new ATOM 496 N HIS A 31 2.914 -6.267 3.734 1.00 0.00 N ATOM 497 CA HIS A 31 2.852 -7.254 4.807 1.00 0.00 C ATOM 498 C HIS A 31 1.471 -7.828 5.096 1.00 0.00 C ATOM 499 O HIS A 31 1.366 -8.996 5.407 1.00 0.00 O ATOM 500 CB HIS A 31 3.517 -6.695 6.047 1.00 0.00 C ATOM 501 CG HIS A 31 4.946 -6.315 5.808 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.780 -6.981 4.896 1.00 0.00 N ATOM 503 CD2 HIS A 31 5.717 -5.319 6.316 1.00 0.00 C ATOM 504 CE1 HIS A 31 6.969 -6.394 4.903 1.00 0.00 C ATOM 505 NE2 HIS A 31 6.950 -5.394 5.747 1.00 0.00 N ATOM 0 H HIS A 31 3.141 -5.316 4.025 1.00 0.00 H new ATOM 0 HA HIS A 31 3.405 -8.124 4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.964 -5.820 6.389 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.470 -7.435 6.846 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.515 -7.783 4.324 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.404 -4.590 7.049 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.818 -6.694 4.307 1.00 0.00 H new ATOM 513 N ASP A 32 0.427 -7.034 4.977 1.00 0.00 N ATOM 514 CA ASP A 32 -0.935 -7.508 5.192 1.00 0.00 C ATOM 515 C ASP A 32 -1.290 -8.453 4.065 1.00 0.00 C ATOM 516 O ASP A 32 -1.952 -9.452 4.283 1.00 0.00 O ATOM 517 CB ASP A 32 -1.923 -6.336 5.223 1.00 0.00 C ATOM 518 CG ASP A 32 -3.290 -6.742 5.722 1.00 0.00 C ATOM 519 OD1 ASP A 32 -3.360 -7.400 6.782 1.00 0.00 O ATOM 520 OD2 ASP A 32 -4.301 -6.400 5.068 1.00 0.00 O ATOM 0 H ASP A 32 0.492 -6.046 4.730 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.996 -8.020 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.526 -5.548 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.016 -5.917 4.221 1.00 0.00 H new ATOM 525 N LEU A 33 -0.825 -8.151 2.858 1.00 0.00 N ATOM 526 CA LEU A 33 -1.067 -9.033 1.725 1.00 0.00 C ATOM 527 C LEU A 33 -0.424 -10.379 1.990 1.00 0.00 C ATOM 528 O LEU A 33 -1.113 -11.401 1.942 1.00 0.00 O ATOM 529 CB LEU A 33 -0.523 -8.448 0.417 1.00 0.00 C ATOM 530 CG LEU A 33 -1.533 -7.637 -0.405 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.814 -6.625 -1.304 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.386 -8.588 -1.250 1.00 0.00 C ATOM 0 H LEU A 33 -0.285 -7.313 2.641 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.145 -9.146 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.329 -7.809 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.149 -9.265 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.179 -7.083 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.549 -6.061 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.232 -5.940 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.149 -7.153 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.104 -8.012 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.742 -9.154 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.921 -9.276 -0.595 1.00 0.00 H new ATOM 544 N GLN A 34 0.874 -10.425 2.283 1.00 0.00 N ATOM 545 CA GLN A 34 1.460 -11.761 2.514 1.00 0.00 C ATOM 546 C GLN A 34 0.894 -12.449 3.770 1.00 0.00 C ATOM 547 O GLN A 34 0.671 -13.664 3.761 1.00 0.00 O ATOM 548 CB GLN A 34 3.000 -11.782 2.555 1.00 0.00 C ATOM 549 CG GLN A 34 3.685 -10.629 3.308 1.00 0.00 C ATOM 550 CD GLN A 34 4.460 -9.646 2.419 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.281 -8.858 2.928 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.216 -9.668 1.125 1.00 0.00 N ATOM 0 H GLN A 34 1.505 -9.628 2.364 1.00 0.00 H new ATOM 0 HA GLN A 34 1.158 -12.330 1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.316 -12.721 3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.368 -11.785 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.927 -10.075 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.371 -11.051 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.537 -10.328 0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.706 -9.026 0.503 1.00 0.00 H new ATOM 561 N GLU A 35 0.648 -11.704 4.838 1.00 0.00 N ATOM 562 CA GLU A 35 0.151 -12.307 6.077 1.00 0.00 C ATOM 563 C GLU A 35 -1.282 -12.822 5.942 1.00 0.00 C ATOM 564 O GLU A 35 -1.580 -13.933 6.369 1.00 0.00 O ATOM 565 CB GLU A 35 0.243 -11.315 7.240 1.00 0.00 C ATOM 566 CG GLU A 35 0.052 -11.959 8.607 1.00 0.00 C ATOM 567 CD GLU A 35 1.145 -12.976 8.915 1.00 0.00 C ATOM 568 OE1 GLU A 35 0.810 -14.162 9.127 1.00 0.00 O ATOM 569 OE2 GLU A 35 2.336 -12.596 8.938 1.00 0.00 O ATOM 0 H GLU A 35 0.781 -10.693 4.878 1.00 0.00 H new ATOM 0 HA GLU A 35 0.790 -13.165 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.216 -10.824 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.510 -10.539 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.049 -11.186 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.921 -12.449 8.644 1.00 0.00 H new ATOM 576 N ARG A 36 -2.180 -12.049 5.346 1.00 0.00 N ATOM 577 CA ARG A 36 -3.556 -12.523 5.174 1.00 0.00 C ATOM 578 C ARG A 36 -3.590 -13.630 4.149 1.00 0.00 C ATOM 579 O ARG A 36 -4.421 -14.509 4.254 1.00 0.00 O ATOM 580 CB ARG A 36 -4.513 -11.399 4.781 1.00 0.00 C ATOM 581 CG ARG A 36 -4.931 -10.545 5.969 1.00 0.00 C ATOM 582 CD ARG A 36 -5.571 -9.247 5.529 1.00 0.00 C ATOM 583 NE ARG A 36 -6.879 -9.388 4.866 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.513 -8.398 4.240 1.00 0.00 C ATOM 585 NH1 ARG A 36 -7.017 -7.190 4.159 1.00 0.00 N ATOM 586 NH2 ARG A 36 -8.664 -8.621 3.672 1.00 0.00 N ATOM 0 H ARG A 36 -1.993 -11.115 4.981 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.897 -12.906 6.136 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.036 -10.766 4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.401 -11.828 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.631 -11.104 6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.059 -10.330 6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.691 -8.605 6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.889 -8.736 4.849 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.328 -10.303 4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.114 -6.980 4.584 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.533 -6.458 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.078 -9.552 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.151 -7.864 3.192 1.00 0.00 H new ATOM 600 N LEU A 37 -2.688 -13.623 3.178 1.00 0.00 N ATOM 601 CA LEU A 37 -2.609 -14.741 2.233 1.00 0.00 C ATOM 602 C LEU A 37 -2.138 -15.991 2.993 1.00 0.00 C ATOM 603 O LEU A 37 -2.710 -17.097 2.852 1.00 0.00 O ATOM 604 CB LEU A 37 -1.654 -14.385 1.092 1.00 0.00 C ATOM 605 CG LEU A 37 -1.543 -15.401 -0.047 1.00 0.00 C ATOM 606 CD1 LEU A 37 -1.397 -14.660 -1.366 1.00 0.00 C ATOM 607 CD2 LEU A 37 -0.346 -16.326 0.169 1.00 0.00 C ATOM 0 H LEU A 37 -2.012 -12.876 3.020 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.586 -14.944 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.969 -13.431 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.660 -14.235 1.513 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.446 -16.012 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.318 -15.380 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.269 -14.026 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.499 -14.042 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.285 -17.040 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.569 -15.735 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.467 -16.863 1.110 1.00 0.00 H new ATOM 619 N HIS A 38 -1.115 -15.819 3.825 1.00 0.00 N ATOM 620 CA HIS A 38 -0.624 -16.921 4.655 1.00 0.00 C ATOM 621 C HIS A 38 -1.763 -17.447 5.514 1.00 0.00 C ATOM 622 O HIS A 38 -1.947 -18.648 5.603 1.00 0.00 O ATOM 623 CB HIS A 38 0.533 -16.482 5.564 1.00 0.00 C ATOM 624 CG HIS A 38 0.625 -17.281 6.828 1.00 0.00 C ATOM 625 ND1 HIS A 38 0.300 -16.978 8.113 1.00 0.00 N flip ATOM 626 CD2 HIS A 38 1.065 -18.608 6.879 1.00 0.00 C flip ATOM 627 CE1 HIS A 38 0.519 -18.076 8.884 1.00 0.00 C flip ATOM 628 NE2 HIS A 38 0.981 -19.035 8.133 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.613 -14.939 3.944 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.251 -17.701 3.991 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.471 -16.571 5.016 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.410 -15.429 5.816 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -0.049 -16.078 8.443 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.415 -19.188 6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.339 -18.143 9.947 1.00 0.00 H new ATOM 636 N LYS A 39 -2.528 -16.558 6.133 1.00 0.00 N ATOM 637 CA LYS A 39 -3.662 -16.956 6.972 1.00 0.00 C ATOM 638 C LYS A 39 -4.748 -17.629 6.136 1.00 0.00 C ATOM 639 O LYS A 39 -5.354 -18.604 6.568 1.00 0.00 O ATOM 640 CB LYS A 39 -4.215 -15.724 7.704 1.00 0.00 C ATOM 641 CG LYS A 39 -5.102 -16.052 8.904 1.00 0.00 C ATOM 642 CD LYS A 39 -6.587 -16.084 8.552 1.00 0.00 C ATOM 643 CE LYS A 39 -7.397 -16.446 9.782 1.00 0.00 C ATOM 644 NZ LYS A 39 -8.860 -16.571 9.486 1.00 0.00 N ATOM 0 H LYS A 39 -2.387 -15.550 6.072 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.321 -17.682 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.379 -15.111 8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.787 -15.122 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.809 -17.019 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.935 -15.312 9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.901 -15.112 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.767 -16.810 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.030 -17.387 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.248 -15.686 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.324 -17.103 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.283 -15.623 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.990 -17.074 8.585 1.00 0.00 H new ATOM 658 N ALA A 40 -4.984 -17.119 4.935 1.00 0.00 N ATOM 659 CA ALA A 40 -5.961 -17.708 4.029 1.00 0.00 C ATOM 660 C ALA A 40 -5.507 -19.117 3.681 1.00 0.00 C ATOM 661 O ALA A 40 -6.324 -20.015 3.530 1.00 0.00 O ATOM 662 CB ALA A 40 -6.126 -16.852 2.760 1.00 0.00 C ATOM 0 H ALA A 40 -4.510 -16.295 4.564 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.935 -17.746 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.861 -17.315 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.464 -15.853 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.169 -16.781 2.242 1.00 0.00 H new ATOM 668 N GLN A 41 -4.212 -19.350 3.575 1.00 0.00 N ATOM 669 CA GLN A 41 -3.806 -20.731 3.375 1.00 0.00 C ATOM 670 C GLN A 41 -3.973 -21.503 4.701 1.00 0.00 C ATOM 671 O GLN A 41 -4.755 -22.445 4.783 1.00 0.00 O ATOM 672 CB GLN A 41 -2.366 -20.799 2.854 1.00 0.00 C ATOM 673 CG GLN A 41 -2.086 -22.033 2.002 1.00 0.00 C ATOM 674 CD GLN A 41 -2.139 -23.323 2.784 1.00 0.00 C ATOM 675 OE1 GLN A 41 -1.399 -23.514 3.732 1.00 0.00 O ATOM 676 NE2 GLN A 41 -3.005 -24.214 2.383 1.00 0.00 N ATOM 0 H GLN A 41 -3.466 -18.655 3.620 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.440 -21.197 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.158 -19.906 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.680 -20.789 3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.812 -22.078 1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.102 -21.934 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.608 -24.016 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.079 -25.108 2.869 1.00 0.00 H new ATOM 685 N GLU A 42 -3.266 -21.075 5.734 1.00 0.00 N ATOM 686 CA GLU A 42 -3.198 -21.795 7.008 1.00 0.00 C ATOM 687 C GLU A 42 -4.555 -22.204 7.573 1.00 0.00 C ATOM 688 O GLU A 42 -4.728 -23.335 8.020 1.00 0.00 O ATOM 689 CB GLU A 42 -2.430 -20.933 8.017 1.00 0.00 C ATOM 690 CG GLU A 42 -1.955 -21.670 9.255 1.00 0.00 C ATOM 691 CD GLU A 42 -0.900 -20.870 10.007 1.00 0.00 C ATOM 692 OE1 GLU A 42 -1.219 -19.782 10.538 1.00 0.00 O ATOM 693 OE2 GLU A 42 0.268 -21.318 10.048 1.00 0.00 O ATOM 0 H GLU A 42 -2.718 -20.215 5.719 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.678 -22.734 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.565 -20.498 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.069 -20.106 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.803 -21.865 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.544 -22.638 8.969 1.00 0.00 H new ATOM 700 N GLU A 43 -5.516 -21.297 7.541 1.00 0.00 N ATOM 701 CA GLU A 43 -6.860 -21.611 8.004 1.00 0.00 C ATOM 702 C GLU A 43 -7.809 -22.017 6.865 1.00 0.00 C ATOM 703 O GLU A 43 -8.594 -22.953 7.013 1.00 0.00 O ATOM 704 CB GLU A 43 -7.432 -20.410 8.770 1.00 0.00 C ATOM 705 CG GLU A 43 -8.702 -20.723 9.568 1.00 0.00 C ATOM 706 CD GLU A 43 -9.177 -19.528 10.382 1.00 0.00 C ATOM 707 OE1 GLU A 43 -10.297 -19.030 10.131 1.00 0.00 O ATOM 708 OE2 GLU A 43 -8.430 -19.064 11.266 1.00 0.00 O ATOM 0 H GLU A 43 -5.394 -20.343 7.202 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.781 -22.475 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.671 -20.032 9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.649 -19.611 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.492 -21.032 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.512 -21.563 10.236 1.00 0.00 H new ATOM 715 N HIS A 44 -7.780 -21.287 5.752 1.00 0.00 N ATOM 716 CA HIS A 44 -8.813 -21.474 4.705 1.00 0.00 C ATOM 717 C HIS A 44 -8.401 -22.314 3.502 1.00 0.00 C ATOM 718 O HIS A 44 -9.214 -22.558 2.614 1.00 0.00 O ATOM 719 CB HIS A 44 -9.380 -20.122 4.236 1.00 0.00 C ATOM 720 CG HIS A 44 -9.729 -19.194 5.359 1.00 0.00 C ATOM 721 ND1 HIS A 44 -10.585 -19.503 6.384 1.00 0.00 N ATOM 722 CD2 HIS A 44 -9.319 -17.921 5.616 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.662 -18.455 7.194 1.00 0.00 C ATOM 724 NE2 HIS A 44 -9.904 -17.459 6.777 1.00 0.00 N ATOM 0 H HIS A 44 -7.078 -20.577 5.543 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.585 -22.059 5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.650 -19.636 3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.271 -20.301 3.634 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -11.079 -20.388 6.504 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.635 -17.355 5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.271 -18.421 8.086 1.00 0.00 H new ATOM 732 N ARG A 45 -7.142 -22.734 3.482 1.00 0.00 N ATOM 733 CA ARG A 45 -6.531 -23.598 2.441 1.00 0.00 C ATOM 734 C ARG A 45 -6.306 -22.964 1.067 1.00 0.00 C ATOM 735 O ARG A 45 -5.280 -23.237 0.438 1.00 0.00 O ATOM 736 CB ARG A 45 -7.326 -24.900 2.265 1.00 0.00 C ATOM 737 CG ARG A 45 -6.444 -26.125 2.062 1.00 0.00 C ATOM 738 CD ARG A 45 -7.092 -27.124 1.119 1.00 0.00 C ATOM 739 NE ARG A 45 -8.436 -27.536 1.562 1.00 0.00 N ATOM 740 CZ ARG A 45 -9.297 -28.227 0.819 1.00 0.00 C ATOM 741 NH1 ARG A 45 -8.995 -28.635 -0.385 1.00 0.00 N ATOM 742 NH2 ARG A 45 -10.483 -28.495 1.289 1.00 0.00 N ATOM 0 H ARG A 45 -6.479 -22.480 4.214 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.534 -23.787 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.954 -25.055 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.994 -24.796 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.478 -25.817 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.253 -26.601 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.161 -26.686 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.455 -28.005 1.036 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.726 -27.273 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.078 -28.426 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.676 -29.163 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.746 -28.175 2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.148 -29.024 0.725 1.00 0.00 H new ATOM 756 N THR A 46 -7.260 -22.143 0.644 1.00 0.00 N ATOM 757 CA THR A 46 -7.316 -21.454 -0.665 1.00 0.00 C ATOM 758 C THR A 46 -7.541 -22.397 -1.843 1.00 0.00 C ATOM 759 O THR A 46 -7.061 -23.529 -1.876 1.00 0.00 O ATOM 760 CB THR A 46 -6.084 -20.546 -0.983 1.00 0.00 C ATOM 761 OG1 THR A 46 -4.963 -21.345 -1.361 1.00 0.00 O ATOM 762 CG2 THR A 46 -5.701 -19.699 0.205 1.00 0.00 C ATOM 0 H THR A 46 -8.066 -21.920 1.228 1.00 0.00 H new ATOM 0 HA THR A 46 -8.187 -20.809 -0.548 1.00 0.00 H new ATOM 0 HB THR A 46 -6.368 -19.890 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.705 -21.922 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.841 -19.080 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.539 -19.059 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.446 -20.345 1.045 1.00 0.00 H new ATOM 770 N VAL A 47 -8.277 -21.905 -2.829 1.00 0.00 N ATOM 771 CA VAL A 47 -8.569 -22.669 -4.041 1.00 0.00 C ATOM 772 C VAL A 47 -7.272 -22.892 -4.819 1.00 0.00 C ATOM 773 O VAL A 47 -7.147 -23.818 -5.616 1.00 0.00 O ATOM 774 CB VAL A 47 -9.664 -21.949 -4.894 1.00 0.00 C ATOM 775 CG1 VAL A 47 -9.144 -20.643 -5.517 1.00 0.00 C ATOM 776 CG2 VAL A 47 -10.224 -22.880 -5.977 1.00 0.00 C ATOM 0 H VAL A 47 -8.688 -20.972 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.975 -23.646 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.474 -21.687 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.938 -20.177 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.828 -19.963 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.297 -20.862 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.983 -22.352 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.418 -23.194 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.670 -23.757 -5.508 1.00 0.00 H new ATOM 786 N GLU A 48 -6.294 -22.044 -4.553 1.00 0.00 N ATOM 787 CA GLU A 48 -4.978 -22.145 -5.159 1.00 0.00 C ATOM 788 C GLU A 48 -4.046 -22.867 -4.191 1.00 0.00 C ATOM 789 O GLU A 48 -2.909 -22.466 -4.013 1.00 0.00 O ATOM 790 CB GLU A 48 -4.436 -20.745 -5.463 1.00 0.00 C ATOM 791 CG GLU A 48 -5.277 -19.974 -6.460 1.00 0.00 C ATOM 792 CD GLU A 48 -4.740 -18.578 -6.691 1.00 0.00 C ATOM 793 OE1 GLU A 48 -4.875 -17.731 -5.777 1.00 0.00 O ATOM 794 OE2 GLU A 48 -4.193 -18.320 -7.788 1.00 0.00 O ATOM 0 H GLU A 48 -6.391 -21.261 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.042 -22.703 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.377 -20.178 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.420 -20.833 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.304 -20.514 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.304 -19.913 -6.099 1.00 0.00 H new ATOM 801 N VAL A 49 -4.529 -23.925 -3.556 1.00 0.00 N ATOM 802 CA VAL A 49 -3.708 -24.693 -2.614 1.00 0.00 C ATOM 803 C VAL A 49 -2.368 -25.077 -3.290 1.00 0.00 C ATOM 804 O VAL A 49 -2.334 -25.454 -4.462 1.00 0.00 O ATOM 805 CB VAL A 49 -4.506 -25.934 -2.067 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.833 -26.943 -3.182 1.00 0.00 C ATOM 807 CG2 VAL A 49 -3.749 -26.619 -0.925 1.00 0.00 C ATOM 0 H VAL A 49 -5.480 -24.275 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.468 -24.082 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.451 -25.558 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.384 -27.784 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.440 -26.457 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.907 -27.304 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.325 -27.473 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.779 -26.961 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.604 -25.911 -0.109 1.00 0.00 H new ATOM 817 N GLU A 50 -1.277 -24.922 -2.534 1.00 0.00 N ATOM 818 CA GLU A 50 0.124 -25.150 -2.986 1.00 0.00 C ATOM 819 C GLU A 50 0.618 -24.194 -4.098 1.00 0.00 C ATOM 820 O GLU A 50 1.786 -24.227 -4.482 1.00 0.00 O ATOM 821 CB GLU A 50 0.351 -26.612 -3.430 1.00 0.00 C ATOM 822 CG GLU A 50 0.126 -27.638 -2.325 1.00 0.00 C ATOM 823 CD GLU A 50 0.405 -29.062 -2.792 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.553 -29.348 -3.199 1.00 0.00 O ATOM 825 OE2 GLU A 50 -0.523 -29.899 -2.738 1.00 0.00 O ATOM 0 H GLU A 50 -1.332 -24.626 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 50 0.721 -24.929 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.317 -26.836 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.370 -26.713 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.770 -27.403 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.903 -27.569 -1.972 1.00 0.00 H new ATOM 832 N LYS A 51 -0.263 -23.341 -4.604 1.00 0.00 N ATOM 833 CA LYS A 51 0.052 -22.430 -5.714 1.00 0.00 C ATOM 834 C LYS A 51 -0.280 -20.969 -5.372 1.00 0.00 C ATOM 835 O LYS A 51 -0.163 -20.085 -6.208 1.00 0.00 O ATOM 836 CB LYS A 51 -0.802 -22.889 -6.904 1.00 0.00 C ATOM 837 CG LYS A 51 -0.379 -22.391 -8.277 1.00 0.00 C ATOM 838 CD LYS A 51 -1.473 -22.718 -9.271 1.00 0.00 C ATOM 839 CE LYS A 51 -1.160 -22.153 -10.640 1.00 0.00 C ATOM 840 NZ LYS A 51 -2.343 -22.338 -11.543 1.00 0.00 N ATOM 0 H LYS A 51 -1.220 -23.256 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 51 1.119 -22.465 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.803 -23.979 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.830 -22.572 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.202 -21.316 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.557 -22.861 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.593 -23.799 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.421 -22.314 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.913 -21.094 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.287 -22.653 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.126 -21.949 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.559 -23.352 -11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.165 -21.841 -11.144 1.00 0.00 H new ATOM 854 N VAL A 52 -0.709 -20.747 -4.137 1.00 0.00 N ATOM 855 CA VAL A 52 -1.257 -19.458 -3.679 1.00 0.00 C ATOM 856 C VAL A 52 -0.520 -18.188 -4.081 1.00 0.00 C ATOM 857 O VAL A 52 -1.151 -17.178 -4.374 1.00 0.00 O ATOM 858 CB VAL A 52 -1.379 -19.409 -2.127 1.00 0.00 C ATOM 859 CG1 VAL A 52 -2.640 -18.648 -1.730 1.00 0.00 C ATOM 860 CG2 VAL A 52 -1.402 -20.815 -1.503 1.00 0.00 C ATOM 0 H VAL A 52 -0.690 -21.461 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.215 -19.447 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.498 -18.893 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.720 -18.617 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.589 -17.631 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.514 -19.151 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.488 -20.731 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.254 -21.372 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.480 -21.340 -1.754 1.00 0.00 H new ATOM 870 N HIS A 53 0.805 -18.209 -4.092 1.00 0.00 N ATOM 871 CA HIS A 53 1.532 -17.004 -4.464 1.00 0.00 C ATOM 872 C HIS A 53 2.869 -17.239 -5.161 1.00 0.00 C ATOM 873 O HIS A 53 3.064 -16.811 -6.309 1.00 0.00 O ATOM 874 CB HIS A 53 1.702 -16.073 -3.238 1.00 0.00 C ATOM 875 CG HIS A 53 2.572 -16.629 -2.151 1.00 0.00 C ATOM 876 ND1 HIS A 53 3.727 -16.035 -1.713 1.00 0.00 N ATOM 877 CD2 HIS A 53 2.448 -17.757 -1.396 1.00 0.00 C ATOM 878 CE1 HIS A 53 4.251 -16.795 -0.759 1.00 0.00 C ATOM 879 NE2 HIS A 53 3.517 -17.864 -0.530 1.00 0.00 N ATOM 0 H HIS A 53 1.382 -19.016 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 53 0.911 -16.518 -5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.122 -15.125 -3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.718 -15.856 -2.823 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.633 -18.463 -1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.167 -16.565 -0.235 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.699 -18.610 0.142 1.00 0.00 H new ATOM 887 N LEU A 54 3.785 -17.905 -4.467 1.00 0.00 N ATOM 888 CA LEU A 54 5.147 -18.123 -4.939 1.00 0.00 C ATOM 889 C LEU A 54 5.811 -16.764 -5.225 1.00 0.00 C ATOM 890 O LEU A 54 5.251 -15.683 -4.938 1.00 0.00 O ATOM 891 CB LEU A 54 5.172 -19.045 -6.179 1.00 0.00 C ATOM 892 CG LEU A 54 4.404 -20.377 -6.048 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.370 -21.077 -7.403 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.039 -21.301 -5.005 1.00 0.00 C ATOM 0 H LEU A 54 3.601 -18.313 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 54 5.716 -18.633 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.762 -18.494 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.211 -19.270 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 54 3.391 -20.150 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.828 -22.018 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.869 -20.438 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.389 -21.276 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.468 -22.227 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.065 -21.526 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.036 -20.808 -4.033 1.00 0.00 H new ATOM 906 N GLU A 55 7.011 -16.818 -5.780 1.00 0.00 N ATOM 907 CA GLU A 55 7.767 -15.607 -6.062 1.00 0.00 C ATOM 908 C GLU A 55 6.973 -14.678 -6.957 1.00 0.00 C ATOM 909 O GLU A 55 6.946 -13.494 -6.721 1.00 0.00 O ATOM 910 CB GLU A 55 9.109 -15.963 -6.721 1.00 0.00 C ATOM 911 CG GLU A 55 10.060 -14.763 -6.948 1.00 0.00 C ATOM 912 CD GLU A 55 9.973 -14.145 -8.356 1.00 0.00 C ATOM 913 OE1 GLU A 55 10.804 -13.255 -8.650 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.104 -14.537 -9.164 1.00 0.00 O ATOM 0 H GLU A 55 7.482 -17.684 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 55 7.961 -15.093 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.618 -16.700 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.911 -16.438 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.836 -13.992 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.085 -15.087 -6.769 1.00 0.00 H new ATOM 921 N LYS A 56 6.319 -15.215 -7.975 1.00 0.00 N ATOM 922 CA LYS A 56 5.613 -14.377 -8.945 1.00 0.00 C ATOM 923 C LYS A 56 4.488 -13.536 -8.354 1.00 0.00 C ATOM 924 O LYS A 56 4.443 -12.327 -8.586 1.00 0.00 O ATOM 925 CB LYS A 56 5.092 -15.238 -10.094 1.00 0.00 C ATOM 926 CG LYS A 56 6.224 -15.912 -10.864 1.00 0.00 C ATOM 927 CD LYS A 56 5.720 -16.674 -12.074 1.00 0.00 C ATOM 928 CE LYS A 56 6.890 -17.349 -12.788 1.00 0.00 C ATOM 929 NZ LYS A 56 6.447 -18.074 -14.029 1.00 0.00 N ATOM 0 H LYS A 56 6.259 -16.217 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 56 6.346 -13.659 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.419 -15.999 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.509 -14.618 -10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.942 -15.157 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.755 -16.596 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.990 -17.423 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.210 -15.994 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.635 -16.599 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.372 -18.052 -12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.270 -18.518 -14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.755 -18.807 -13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.010 -17.399 -14.688 1.00 0.00 H new ATOM 943 N LYS A 57 3.582 -14.131 -7.591 1.00 0.00 N ATOM 944 CA LYS A 57 2.490 -13.336 -7.034 1.00 0.00 C ATOM 945 C LYS A 57 2.984 -12.559 -5.834 1.00 0.00 C ATOM 946 O LYS A 57 2.498 -11.471 -5.595 1.00 0.00 O ATOM 947 CB LYS A 57 1.281 -14.191 -6.672 1.00 0.00 C ATOM 948 CG LYS A 57 -0.015 -13.401 -6.536 1.00 0.00 C ATOM 949 CD LYS A 57 -0.388 -13.154 -5.076 1.00 0.00 C ATOM 950 CE LYS A 57 -1.473 -12.103 -4.998 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.886 -11.791 -3.591 1.00 0.00 N ATOM 0 H LYS A 57 3.575 -15.122 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 57 2.158 -12.637 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.149 -14.958 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.481 -14.707 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.088 -12.445 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.822 -13.942 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.732 -14.081 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.489 -12.828 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.122 -11.190 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.343 -12.444 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.297 -10.836 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.593 -12.485 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.055 -11.835 -2.967 1.00 0.00 H new ATOM 965 N LEU A 58 3.962 -13.073 -5.090 1.00 0.00 N ATOM 966 CA LEU A 58 4.518 -12.273 -3.988 1.00 0.00 C ATOM 967 C LEU A 58 5.068 -10.974 -4.598 1.00 0.00 C ATOM 968 O LEU A 58 4.788 -9.860 -4.144 1.00 0.00 O ATOM 969 CB LEU A 58 5.643 -13.039 -3.280 1.00 0.00 C ATOM 970 CG LEU A 58 6.334 -12.332 -2.103 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.390 -12.154 -0.926 1.00 0.00 C ATOM 972 CD2 LEU A 58 7.550 -13.152 -1.669 1.00 0.00 C ATOM 0 H LEU A 58 4.374 -13.997 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 58 3.747 -12.059 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.234 -13.982 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.403 -13.286 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 58 6.645 -11.341 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.913 -11.651 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.534 -11.553 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.044 -13.130 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.045 -12.655 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.227 -14.146 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.246 -13.240 -2.503 1.00 0.00 H new ATOM 984 N ARG A 59 5.844 -11.146 -5.656 1.00 0.00 N ATOM 985 CA ARG A 59 6.458 -10.042 -6.380 1.00 0.00 C ATOM 986 C ARG A 59 5.408 -9.088 -6.921 1.00 0.00 C ATOM 987 O ARG A 59 5.617 -7.888 -6.849 1.00 0.00 O ATOM 988 CB ARG A 59 7.321 -10.626 -7.504 1.00 0.00 C ATOM 989 CG ARG A 59 8.133 -9.673 -8.336 1.00 0.00 C ATOM 990 CD ARG A 59 9.108 -10.520 -9.155 1.00 0.00 C ATOM 991 NE ARG A 59 9.864 -9.752 -10.155 1.00 0.00 N ATOM 992 CZ ARG A 59 10.857 -10.239 -10.895 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.289 -11.469 -10.782 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.432 -9.462 -11.771 1.00 0.00 N ATOM 0 H ARG A 59 6.068 -12.064 -6.041 1.00 0.00 H new ATOM 0 HA ARG A 59 7.085 -9.460 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.006 -11.348 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.665 -11.180 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.489 -9.085 -8.990 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.671 -8.969 -7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.810 -11.007 -8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.553 -11.310 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 59 9.609 -8.774 -10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.861 -12.100 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.054 -11.797 -11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.119 -8.497 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.195 -9.819 -12.347 1.00 0.00 H new ATOM 1008 N ASP A 60 4.294 -9.586 -7.444 1.00 0.00 N ATOM 1009 CA ASP A 60 3.252 -8.682 -7.955 1.00 0.00 C ATOM 1010 C ASP A 60 2.404 -8.014 -6.868 1.00 0.00 C ATOM 1011 O ASP A 60 2.028 -6.863 -7.011 1.00 0.00 O ATOM 1012 CB ASP A 60 2.302 -9.369 -8.930 1.00 0.00 C ATOM 1013 CG ASP A 60 1.454 -8.352 -9.705 1.00 0.00 C ATOM 1014 OD1 ASP A 60 0.217 -8.522 -9.800 1.00 0.00 O ATOM 1015 OD2 ASP A 60 2.045 -7.365 -10.214 1.00 0.00 O ATOM 0 H ASP A 60 4.085 -10.581 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 60 3.827 -7.910 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.875 -9.975 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.647 -10.048 -8.383 1.00 0.00 H new ATOM 1020 N GLU A 61 2.101 -8.703 -5.779 1.00 0.00 N ATOM 1021 CA GLU A 61 1.289 -8.091 -4.723 1.00 0.00 C ATOM 1022 C GLU A 61 2.110 -6.950 -4.093 1.00 0.00 C ATOM 1023 O GLU A 61 1.619 -5.822 -3.879 1.00 0.00 O ATOM 1024 CB GLU A 61 0.811 -9.156 -3.704 1.00 0.00 C ATOM 1025 CG GLU A 61 1.801 -9.522 -2.591 1.00 0.00 C ATOM 1026 CD GLU A 61 1.400 -10.736 -1.770 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.121 -11.018 -0.777 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.394 -11.413 -2.102 1.00 0.00 O ATOM 0 H GLU A 61 2.394 -9.663 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 61 0.373 -7.663 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.108 -8.798 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.559 -10.065 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.778 -9.707 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.911 -8.667 -1.924 1.00 0.00 H new ATOM 1035 N ILE A 62 3.386 -7.199 -3.826 1.00 0.00 N ATOM 1036 CA ILE A 62 4.204 -6.126 -3.304 1.00 0.00 C ATOM 1037 C ILE A 62 4.555 -5.112 -4.389 1.00 0.00 C ATOM 1038 O ILE A 62 4.905 -3.990 -4.076 1.00 0.00 O ATOM 1039 CB ILE A 62 5.423 -6.637 -2.537 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.531 -7.161 -3.450 1.00 0.00 C ATOM 1041 CG2 ILE A 62 4.964 -7.699 -1.488 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.706 -7.663 -2.638 1.00 0.00 C ATOM 0 H ILE A 62 3.856 -8.095 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 62 3.605 -5.593 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 62 5.872 -5.793 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.144 -7.967 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.860 -6.368 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.831 -8.066 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.260 -7.242 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.480 -8.531 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.482 -8.031 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.105 -6.848 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.378 -8.472 -1.985 1.00 0.00 H new ATOM 1054 N ASN A 63 4.437 -5.479 -5.661 1.00 0.00 N ATOM 1055 CA ASN A 63 4.612 -4.508 -6.749 1.00 0.00 C ATOM 1056 C ASN A 63 3.426 -3.559 -6.700 1.00 0.00 C ATOM 1057 O ASN A 63 3.590 -2.358 -6.828 1.00 0.00 O ATOM 1058 CB ASN A 63 4.660 -5.187 -8.120 1.00 0.00 C ATOM 1059 CG ASN A 63 4.612 -4.207 -9.250 1.00 0.00 C ATOM 1060 OD1 ASN A 63 5.361 -3.242 -9.282 1.00 0.00 O ATOM 1061 ND2 ASN A 63 3.739 -4.449 -10.190 1.00 0.00 N ATOM 0 H ASN A 63 4.224 -6.428 -5.967 1.00 0.00 H new ATOM 0 HA ASN A 63 5.559 -3.984 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.572 -5.779 -8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.822 -5.879 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.664 -3.821 -10.990 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.132 -5.266 -10.124 1.00 0.00 H new ATOM 1068 N LEU A 64 2.238 -4.106 -6.489 1.00 0.00 N ATOM 1069 CA LEU A 64 1.026 -3.309 -6.342 1.00 0.00 C ATOM 1070 C LEU A 64 1.179 -2.400 -5.135 1.00 0.00 C ATOM 1071 O LEU A 64 0.907 -1.200 -5.221 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.183 -4.226 -6.153 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.487 -3.551 -5.720 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.020 -2.625 -6.814 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.483 -4.635 -5.370 1.00 0.00 C ATOM 0 H LEU A 64 2.086 -5.112 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 64 0.871 -2.708 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.365 -4.750 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.074 -4.982 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.311 -2.923 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.947 -2.160 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.282 -1.851 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.211 -3.203 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.422 -4.179 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.658 -5.264 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.087 -5.244 -4.557 1.00 0.00 H new ATOM 1087 N ALA A 65 1.637 -2.949 -4.018 1.00 0.00 N ATOM 1088 CA ALA A 65 1.872 -2.116 -2.833 1.00 0.00 C ATOM 1089 C ALA A 65 2.931 -1.015 -3.121 1.00 0.00 C ATOM 1090 O ALA A 65 2.885 0.093 -2.581 1.00 0.00 O ATOM 1091 CB ALA A 65 2.299 -2.990 -1.676 1.00 0.00 C ATOM 0 H ALA A 65 1.850 -3.940 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 65 0.943 -1.610 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.473 -2.370 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.515 -3.715 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.217 -3.516 -1.937 1.00 0.00 H new ATOM 1097 N LYS A 66 3.885 -1.304 -3.995 1.00 0.00 N ATOM 1098 CA LYS A 66 4.884 -0.300 -4.375 1.00 0.00 C ATOM 1099 C LYS A 66 4.288 0.758 -5.298 1.00 0.00 C ATOM 1100 O LYS A 66 4.794 1.874 -5.330 1.00 0.00 O ATOM 1101 CB LYS A 66 6.105 -0.951 -5.021 1.00 0.00 C ATOM 1102 CG LYS A 66 6.994 -1.644 -3.998 1.00 0.00 C ATOM 1103 CD LYS A 66 7.860 -2.707 -4.645 1.00 0.00 C ATOM 1104 CE LYS A 66 8.494 -3.583 -3.578 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.250 -4.719 -4.196 1.00 0.00 N ATOM 0 H LYS A 66 3.993 -2.210 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 66 5.208 0.196 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.777 -1.676 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.683 -0.192 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.628 -0.906 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.375 -2.099 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.258 -3.318 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.636 -2.237 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.167 -2.985 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.721 -3.973 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.631 -5.331 -3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.611 -5.271 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.033 -4.344 -4.768 1.00 0.00 H new ATOM 1119 N GLN A 67 3.222 0.440 -6.024 1.00 0.00 N ATOM 1120 CA GLN A 67 2.546 1.456 -6.837 1.00 0.00 C ATOM 1121 C GLN A 67 1.838 2.373 -5.852 1.00 0.00 C ATOM 1122 O GLN A 67 1.950 3.591 -5.944 1.00 0.00 O ATOM 1123 CB GLN A 67 1.528 0.863 -7.826 1.00 0.00 C ATOM 1124 CG GLN A 67 2.112 -0.110 -8.848 1.00 0.00 C ATOM 1125 CD GLN A 67 3.343 0.430 -9.545 1.00 0.00 C ATOM 1126 OE1 GLN A 67 3.336 1.524 -10.084 1.00 0.00 O ATOM 1127 NE2 GLN A 67 4.402 -0.334 -9.539 1.00 0.00 N ATOM 0 H GLN A 67 2.810 -0.492 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 67 3.279 1.979 -7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.751 0.349 -7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.045 1.681 -8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.366 -1.045 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.352 -0.344 -9.594 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.372 -1.244 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.259 -0.021 -9.995 1.00 0.00 H new ATOM 1136 N GLU A 68 1.139 1.777 -4.892 1.00 0.00 N ATOM 1137 CA GLU A 68 0.535 2.532 -3.794 1.00 0.00 C ATOM 1138 C GLU A 68 1.602 3.422 -3.129 1.00 0.00 C ATOM 1139 O GLU A 68 1.408 4.627 -2.960 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.036 1.547 -2.766 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.959 2.152 -1.752 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.072 1.297 -0.494 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -0.837 0.066 -0.571 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.383 1.860 0.573 1.00 0.00 O ATOM 0 H GLU A 68 0.975 0.771 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.265 3.165 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.571 0.760 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.793 1.071 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.600 3.145 -1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.948 2.279 -2.193 1.00 0.00 H new ATOM 1151 N ALA A 69 2.739 2.835 -2.772 1.00 0.00 N ATOM 1152 CA ALA A 69 3.822 3.599 -2.143 1.00 0.00 C ATOM 1153 C ALA A 69 4.324 4.774 -3.011 1.00 0.00 C ATOM 1154 O ALA A 69 4.624 5.851 -2.491 1.00 0.00 O ATOM 1155 CB ALA A 69 4.983 2.663 -1.801 1.00 0.00 C ATOM 0 H ALA A 69 2.938 1.843 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 69 3.413 4.040 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.785 3.234 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.638 1.892 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.354 2.195 -2.713 1.00 0.00 H new ATOM 1161 N GLN A 70 4.424 4.573 -4.321 1.00 0.00 N ATOM 1162 CA GLN A 70 4.889 5.632 -5.227 1.00 0.00 C ATOM 1163 C GLN A 70 3.935 6.811 -5.138 1.00 0.00 C ATOM 1164 O GLN A 70 4.342 7.971 -5.023 1.00 0.00 O ATOM 1165 CB GLN A 70 4.918 5.134 -6.682 1.00 0.00 C ATOM 1166 CG GLN A 70 6.161 5.542 -7.469 1.00 0.00 C ATOM 1167 CD GLN A 70 6.496 7.018 -7.344 1.00 0.00 C ATOM 1168 OE1 GLN A 70 7.494 7.365 -6.722 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.693 7.873 -7.926 1.00 0.00 N ATOM 0 H GLN A 70 4.192 3.694 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 70 5.897 5.924 -4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.845 4.046 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.036 5.512 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.011 4.954 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.012 5.299 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.873 7.539 -8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.887 8.873 -7.872 1.00 0.00 H new ATOM 1178 N ARG A 71 2.652 6.494 -5.180 1.00 0.00 N ATOM 1179 CA ARG A 71 1.617 7.507 -5.119 1.00 0.00 C ATOM 1180 C ARG A 71 1.697 8.235 -3.795 1.00 0.00 C ATOM 1181 O ARG A 71 1.499 9.429 -3.745 1.00 0.00 O ATOM 1182 CB ARG A 71 0.252 6.855 -5.302 1.00 0.00 C ATOM 1183 CG ARG A 71 0.061 6.292 -6.696 1.00 0.00 C ATOM 1184 CD ARG A 71 -1.182 5.439 -6.802 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.673 5.487 -8.183 1.00 0.00 N ATOM 1186 CZ ARG A 71 -2.245 4.500 -8.852 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -2.457 3.318 -8.330 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -2.631 4.730 -10.075 1.00 0.00 N ATOM 0 H ARG A 71 2.303 5.539 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 71 1.762 8.232 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.134 6.055 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.528 7.589 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.001 7.112 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.932 5.697 -6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.959 4.411 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.948 5.802 -6.116 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.562 6.372 -8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.177 3.128 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.902 2.587 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.489 5.651 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.075 3.989 -10.617 1.00 0.00 H new ATOM 1202 N LEU A 72 2.016 7.527 -2.723 1.00 0.00 N ATOM 1203 CA LEU A 72 2.135 8.153 -1.414 1.00 0.00 C ATOM 1204 C LEU A 72 3.382 9.038 -1.349 1.00 0.00 C ATOM 1205 O LEU A 72 3.374 10.070 -0.677 1.00 0.00 O ATOM 1206 CB LEU A 72 2.085 7.084 -0.329 1.00 0.00 C ATOM 1207 CG LEU A 72 0.640 6.547 -0.234 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.607 5.123 0.246 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.211 7.432 0.682 1.00 0.00 C ATOM 0 H LEU A 72 2.197 6.523 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 72 1.291 8.820 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.775 6.274 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.397 7.501 0.628 1.00 0.00 H new ATOM 0 HG LEU A 72 0.219 6.573 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.427 4.781 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.162 4.492 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.061 5.062 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.224 7.034 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.224 7.446 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.239 8.446 0.284 1.00 0.00 H new ATOM 1221 N LYS A 73 4.439 8.681 -2.073 1.00 0.00 N ATOM 1222 CA LYS A 73 5.607 9.580 -2.170 1.00 0.00 C ATOM 1223 C LYS A 73 5.201 10.832 -2.937 1.00 0.00 C ATOM 1224 O LYS A 73 5.519 11.949 -2.533 1.00 0.00 O ATOM 1225 CB LYS A 73 6.766 8.957 -2.949 1.00 0.00 C ATOM 1226 CG LYS A 73 7.392 7.743 -2.336 1.00 0.00 C ATOM 1227 CD LYS A 73 8.263 7.081 -3.371 1.00 0.00 C ATOM 1228 CE LYS A 73 8.692 5.701 -2.951 1.00 0.00 C ATOM 1229 NZ LYS A 73 9.406 5.064 -4.102 1.00 0.00 N ATOM 0 H LYS A 73 4.521 7.806 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 73 5.929 9.789 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.408 8.694 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.539 9.714 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.984 8.021 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.622 7.053 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.721 7.020 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.145 7.696 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.346 5.754 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.826 5.105 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.712 4.107 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.765 5.006 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.237 5.636 -4.354 1.00 0.00 H new ATOM 1243 N GLU A 74 4.511 10.639 -4.052 1.00 0.00 N ATOM 1244 CA GLU A 74 4.116 11.767 -4.894 1.00 0.00 C ATOM 1245 C GLU A 74 3.157 12.698 -4.140 1.00 0.00 C ATOM 1246 O GLU A 74 3.270 13.919 -4.218 1.00 0.00 O ATOM 1247 CB GLU A 74 3.507 11.245 -6.199 1.00 0.00 C ATOM 1248 CG GLU A 74 3.548 12.263 -7.339 1.00 0.00 C ATOM 1249 CD GLU A 74 3.476 11.615 -8.725 1.00 0.00 C ATOM 1250 OE1 GLU A 74 2.921 12.257 -9.649 1.00 0.00 O ATOM 1251 OE2 GLU A 74 3.988 10.479 -8.900 1.00 0.00 O ATOM 0 H GLU A 74 4.214 9.725 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 74 4.996 12.359 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.041 10.346 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.472 10.955 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.717 12.960 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.466 12.847 -7.264 1.00 0.00 H new ATOM 1258 N LEU A 75 2.243 12.111 -3.378 1.00 0.00 N ATOM 1259 CA LEU A 75 1.331 12.871 -2.522 1.00 0.00 C ATOM 1260 C LEU A 75 2.133 13.657 -1.489 1.00 0.00 C ATOM 1261 O LEU A 75 1.886 14.847 -1.266 1.00 0.00 O ATOM 1262 CB LEU A 75 0.388 11.910 -1.784 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.899 11.506 -2.516 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.355 10.114 -2.090 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.990 12.505 -2.188 1.00 0.00 C ATOM 0 H LEU A 75 2.110 11.101 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 75 0.751 13.554 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.944 11.003 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.110 12.369 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.700 11.495 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.269 9.851 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.576 9.388 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.546 10.106 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.908 12.224 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.167 12.511 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.682 13.499 -2.511 1.00 0.00 H new ATOM 1277 N ARG A 76 3.101 12.986 -0.872 1.00 0.00 N ATOM 1278 CA ARG A 76 3.948 13.601 0.156 1.00 0.00 C ATOM 1279 C ARG A 76 4.691 14.825 -0.364 1.00 0.00 C ATOM 1280 O ARG A 76 4.934 15.765 0.392 1.00 0.00 O ATOM 1281 CB ARG A 76 4.944 12.557 0.698 1.00 0.00 C ATOM 1282 CG ARG A 76 6.052 13.117 1.570 1.00 0.00 C ATOM 1283 CD ARG A 76 7.317 13.416 0.766 1.00 0.00 C ATOM 1284 NE ARG A 76 8.276 14.190 1.569 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.321 13.691 2.215 1.00 0.00 C ATOM 1286 NH1 ARG A 76 9.626 12.416 2.182 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.076 14.494 2.910 1.00 0.00 N ATOM 0 H ARG A 76 3.323 12.009 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 76 3.298 13.943 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.391 11.814 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.395 12.036 -0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.706 14.030 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.285 12.405 2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.777 12.482 0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.058 13.972 -0.135 1.00 0.00 H new ATOM 0 HE ARG A 76 8.124 15.197 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.050 11.768 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.439 12.073 2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.859 15.490 2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.884 14.127 3.413 1.00 0.00 H new ATOM 1301 N GLU A 77 5.067 14.826 -1.634 1.00 0.00 N ATOM 1302 CA GLU A 77 5.794 15.974 -2.185 1.00 0.00 C ATOM 1303 C GLU A 77 4.854 17.142 -2.526 1.00 0.00 C ATOM 1304 O GLU A 77 5.297 18.191 -3.008 1.00 0.00 O ATOM 1305 CB GLU A 77 6.649 15.556 -3.389 1.00 0.00 C ATOM 1306 CG GLU A 77 7.782 14.606 -2.981 1.00 0.00 C ATOM 1307 CD GLU A 77 8.929 14.568 -3.980 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.701 14.288 -5.173 1.00 0.00 O ATOM 1309 OE2 GLU A 77 10.083 14.815 -3.549 1.00 0.00 O ATOM 0 H GLU A 77 4.890 14.068 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 77 6.470 16.337 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.017 15.070 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.071 16.443 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.168 14.910 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.378 13.600 -2.864 1.00 0.00 H new ATOM 1316 N GLY A 78 3.566 16.974 -2.251 1.00 0.00 N ATOM 1317 CA GLY A 78 2.611 18.051 -2.448 1.00 0.00 C ATOM 1318 C GLY A 78 2.716 19.110 -1.358 1.00 0.00 C ATOM 1319 O GLY A 78 3.397 18.934 -0.346 1.00 0.00 O ATOM 0 H GLY A 78 3.163 16.108 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.780 18.513 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.601 17.642 -2.461 1.00 0.00 H new ATOM 1323 N THR A 79 2.027 20.224 -1.549 1.00 0.00 N ATOM 1324 CA THR A 79 2.042 21.319 -0.580 1.00 0.00 C ATOM 1325 C THR A 79 0.603 21.802 -0.357 1.00 0.00 C ATOM 1326 O THR A 79 -0.346 21.146 -0.780 1.00 0.00 O ATOM 1327 CB THR A 79 3.012 22.457 -1.052 1.00 0.00 C ATOM 1328 OG1 THR A 79 3.259 23.371 0.024 1.00 0.00 O ATOM 1329 CG2 THR A 79 2.468 23.234 -2.253 1.00 0.00 C ATOM 0 H THR A 79 1.446 20.398 -2.369 1.00 0.00 H new ATOM 0 HA THR A 79 2.429 20.977 0.380 1.00 0.00 H new ATOM 0 HB THR A 79 3.938 21.972 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.867 24.077 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.180 24.009 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.320 22.552 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.516 23.695 -1.988 1.00 0.00 H new ATOM 1337 N GLU A 80 0.441 22.931 0.317 1.00 0.00 N ATOM 1338 CA GLU A 80 -0.880 23.482 0.609 1.00 0.00 C ATOM 1339 C GLU A 80 -1.653 23.782 -0.674 1.00 0.00 C ATOM 1340 O GLU A 80 -1.161 24.504 -1.548 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.712 24.757 1.432 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.997 25.371 1.978 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.709 26.418 3.060 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -0.866 26.144 3.947 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.302 27.518 3.038 1.00 0.00 O ATOM 0 H GLU A 80 1.215 23.490 0.676 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.452 22.745 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.051 24.540 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.210 25.502 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.554 25.833 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.629 24.585 2.391 1.00 0.00 H new ATOM 1352 N ASN A 81 -2.862 23.217 -0.738 1.00 0.00 N ATOM 1353 CA ASN A 81 -3.801 23.325 -1.872 1.00 0.00 C ATOM 1354 C ASN A 81 -3.327 22.631 -3.151 1.00 0.00 C ATOM 1355 O ASN A 81 -2.153 22.644 -3.497 1.00 0.00 O ATOM 1356 CB ASN A 81 -4.145 24.797 -2.182 1.00 0.00 C ATOM 1357 CG ASN A 81 -5.065 24.940 -3.374 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -4.629 24.971 -4.518 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -6.342 25.015 -3.115 1.00 0.00 N ATOM 0 H ASN A 81 -3.233 22.649 0.024 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.695 22.797 -1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.615 25.248 -1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.224 25.350 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.013 25.103 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.669 24.986 -2.149 1.00 0.00 H new ATOM 1366 N GLU A 82 -4.278 22.046 -3.870 1.00 0.00 N ATOM 1367 CA GLU A 82 -4.014 21.476 -5.187 1.00 0.00 C ATOM 1368 C GLU A 82 -3.848 22.611 -6.205 1.00 0.00 C ATOM 1369 O GLU A 82 -4.712 22.856 -7.052 1.00 0.00 O ATOM 1370 CB GLU A 82 -5.157 20.568 -5.626 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.264 19.288 -4.831 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.201 18.311 -5.507 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -5.796 17.153 -5.751 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -7.347 18.712 -5.805 1.00 0.00 O ATOM 0 H GLU A 82 -5.246 21.953 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.101 20.882 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.096 21.116 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.026 20.320 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.277 18.838 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.624 19.508 -3.826 1.00 0.00 H new ATOM 1381 N ARG A 83 -2.731 23.311 -6.103 1.00 0.00 N ATOM 1382 CA ARG A 83 -2.367 24.376 -7.034 1.00 0.00 C ATOM 1383 C ARG A 83 -1.984 23.769 -8.389 1.00 0.00 C ATOM 1384 O ARG A 83 -2.094 22.557 -8.601 1.00 0.00 O ATOM 1385 CB ARG A 83 -1.198 25.185 -6.449 1.00 0.00 C ATOM 1386 CG ARG A 83 -1.529 25.806 -5.089 1.00 0.00 C ATOM 1387 CD ARG A 83 -0.554 26.901 -4.702 1.00 0.00 C ATOM 1388 NE ARG A 83 0.796 26.391 -4.414 1.00 0.00 N ATOM 1389 CZ ARG A 83 1.882 27.149 -4.293 1.00 0.00 C ATOM 1390 NH1 ARG A 83 1.837 28.449 -4.437 1.00 0.00 N ATOM 1391 NH2 ARG A 83 3.030 26.599 -4.033 1.00 0.00 N ATOM 0 H ARG A 83 -2.042 23.158 -5.366 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.216 25.044 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.329 24.536 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.924 25.976 -7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.539 26.215 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.520 25.028 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.496 27.631 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.934 27.425 -3.825 1.00 0.00 H new ATOM 0 HE ARG A 83 0.907 25.384 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.951 28.908 -4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.688 29.003 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.097 25.587 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.864 27.179 -3.940 1.00 0.00 H new ATOM 1405 N SER A 84 -1.522 24.608 -9.305 1.00 0.00 N ATOM 1406 CA SER A 84 -1.114 24.152 -10.632 1.00 0.00 C ATOM 1407 C SER A 84 -0.137 22.984 -10.511 1.00 0.00 C ATOM 1408 O SER A 84 0.715 22.979 -9.632 1.00 0.00 O ATOM 1409 CB SER A 84 -0.464 25.302 -11.393 1.00 0.00 C ATOM 1410 OG SER A 84 -1.321 26.432 -11.380 1.00 0.00 O ATOM 0 H SER A 84 -1.419 25.612 -9.156 1.00 0.00 H new ATOM 0 HA SER A 84 -1.995 23.814 -11.178 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.494 25.555 -10.939 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.260 25.001 -12.420 1.00 0.00 H new ATOM 0 HG SER A 84 -0.898 27.169 -11.869 1.00 0.00 H new ATOM 1416 N ARG A 85 -0.307 22.000 -11.396 1.00 0.00 N ATOM 1417 CA ARG A 85 0.446 20.723 -11.402 1.00 0.00 C ATOM 1418 C ARG A 85 0.182 19.797 -10.207 1.00 0.00 C ATOM 1419 O ARG A 85 0.588 18.657 -10.250 1.00 0.00 O ATOM 1420 CB ARG A 85 1.964 20.927 -11.566 1.00 0.00 C ATOM 1421 CG ARG A 85 2.378 21.387 -12.948 1.00 0.00 C ATOM 1422 CD ARG A 85 3.900 21.412 -13.058 1.00 0.00 C ATOM 1423 NE ARG A 85 4.346 21.600 -14.451 1.00 0.00 N ATOM 1424 CZ ARG A 85 4.546 20.621 -15.331 1.00 0.00 C ATOM 1425 NH1 ARG A 85 4.360 19.357 -15.035 1.00 0.00 N ATOM 1426 NH2 ARG A 85 4.943 20.925 -16.535 1.00 0.00 N ATOM 0 H ARG A 85 -0.988 22.061 -12.153 1.00 0.00 H new ATOM 0 HA ARG A 85 0.049 20.215 -12.281 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.303 21.660 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.473 19.990 -11.339 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.962 20.719 -13.702 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.975 22.380 -13.145 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.296 22.216 -12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.308 20.479 -12.669 1.00 0.00 H new ATOM 0 HE ARG A 85 4.515 22.556 -14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.050 19.092 -14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.525 18.638 -15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.096 21.901 -16.791 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.101 20.187 -17.221 1.00 0.00 H new ATOM 1440 N GLN A 86 -0.511 20.259 -9.176 1.00 0.00 N ATOM 1441 CA GLN A 86 -0.860 19.401 -8.035 1.00 0.00 C ATOM 1442 C GLN A 86 -2.357 19.072 -8.123 1.00 0.00 C ATOM 1443 O GLN A 86 -2.963 18.585 -7.187 1.00 0.00 O ATOM 1444 CB GLN A 86 -0.527 20.123 -6.722 1.00 0.00 C ATOM 1445 CG GLN A 86 -0.354 19.189 -5.520 1.00 0.00 C ATOM 1446 CD GLN A 86 -0.162 19.942 -4.229 1.00 0.00 C ATOM 1447 OE1 GLN A 86 0.702 20.802 -4.119 1.00 0.00 O ATOM 1448 NE2 GLN A 86 -0.956 19.621 -3.243 1.00 0.00 N ATOM 0 H GLN A 86 -0.845 21.220 -9.099 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.286 18.475 -8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.390 20.696 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.320 20.838 -6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -1.229 18.545 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.504 18.539 -5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -1.664 18.899 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -0.868 20.093 -2.343 1.00 0.00 H new ATOM 1457 N LYS A 87 -2.941 19.364 -9.279 1.00 0.00 N ATOM 1458 CA LYS A 87 -4.386 19.206 -9.521 1.00 0.00 C ATOM 1459 C LYS A 87 -4.933 17.778 -9.586 1.00 0.00 C ATOM 1460 O LYS A 87 -6.091 17.588 -9.930 1.00 0.00 O ATOM 1461 CB LYS A 87 -4.752 19.933 -10.830 1.00 0.00 C ATOM 1462 CG LYS A 87 -4.917 21.440 -10.682 1.00 0.00 C ATOM 1463 CD LYS A 87 -6.151 21.761 -9.842 1.00 0.00 C ATOM 1464 CE LYS A 87 -6.375 23.249 -9.714 1.00 0.00 C ATOM 1465 NZ LYS A 87 -7.136 23.496 -8.447 1.00 0.00 N ATOM 0 H LYS A 87 -2.429 19.720 -10.086 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.855 19.637 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.978 19.735 -11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.680 19.514 -11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.030 21.865 -10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.009 21.900 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.028 21.300 -10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.038 21.324 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.422 23.777 -9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.931 23.626 -10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.479 24.478 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.946 22.845 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.512 23.336 -7.630 1.00 0.00 H new ATOM 1479 N TYR A 88 -4.112 16.794 -9.271 1.00 0.00 N ATOM 1480 CA TYR A 88 -4.540 15.399 -9.296 1.00 0.00 C ATOM 1481 C TYR A 88 -4.073 14.674 -8.044 1.00 0.00 C ATOM 1482 O TYR A 88 -4.187 13.471 -7.955 1.00 0.00 O ATOM 1483 CB TYR A 88 -3.969 14.701 -10.539 1.00 0.00 C ATOM 1484 CG TYR A 88 -2.450 14.650 -10.568 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -1.696 15.714 -11.106 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.756 13.526 -10.067 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -0.274 15.655 -11.139 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -0.337 13.466 -10.100 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.390 14.531 -10.635 1.00 0.00 C ATOM 1490 OH TYR A 88 1.760 14.482 -10.684 1.00 0.00 O ATOM 0 H TYR A 88 -3.140 16.931 -8.993 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.629 15.372 -9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.359 13.684 -10.585 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.323 15.219 -11.430 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.203 16.583 -11.497 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.313 12.699 -9.652 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.292 16.477 -11.553 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.178 12.599 -9.712 1.00 0.00 H new ATOM 0 HH TYR A 88 2.064 13.583 -10.439 1.00 0.00 H new ATOM 1500 N ALA A 89 -3.534 15.404 -7.077 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.949 14.767 -5.902 1.00 0.00 C ATOM 1502 C ALA A 89 -3.972 13.948 -5.114 1.00 0.00 C ATOM 1503 O ALA A 89 -3.765 12.772 -4.865 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.305 15.823 -5.000 1.00 0.00 C ATOM 0 H ALA A 89 -3.489 16.423 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.186 14.073 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.871 15.339 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.523 16.345 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.062 16.539 -4.680 1.00 0.00 H new ATOM 1510 N GLU A 90 -5.076 14.555 -4.721 1.00 0.00 N ATOM 1511 CA GLU A 90 -6.051 13.839 -3.902 1.00 0.00 C ATOM 1512 C GLU A 90 -6.786 12.797 -4.760 1.00 0.00 C ATOM 1513 O GLU A 90 -7.339 11.820 -4.255 1.00 0.00 O ATOM 1514 CB GLU A 90 -7.012 14.822 -3.230 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.294 15.914 -2.387 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.344 15.351 -1.314 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.778 14.522 -0.487 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.153 15.759 -1.289 1.00 0.00 O ATOM 0 H GLU A 90 -5.322 15.519 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.536 13.305 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.618 15.306 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.695 14.268 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.727 16.561 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.046 16.537 -1.902 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.756 12.981 -6.072 1.00 0.00 N ATOM 1526 CA GLU A 91 -7.308 11.972 -6.973 1.00 0.00 C ATOM 1527 C GLU A 91 -6.365 10.769 -6.920 1.00 0.00 C ATOM 1528 O GLU A 91 -6.798 9.631 -6.959 1.00 0.00 O ATOM 1529 CB GLU A 91 -7.438 12.515 -8.402 1.00 0.00 C ATOM 1530 CG GLU A 91 -8.529 11.819 -9.229 1.00 0.00 C ATOM 1531 CD GLU A 91 -7.997 10.696 -10.117 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -7.217 10.992 -11.047 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -8.376 9.522 -9.901 1.00 0.00 O ATOM 0 H GLU A 91 -6.364 13.802 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.313 11.687 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.653 13.583 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.481 12.404 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.282 11.412 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.028 12.560 -9.854 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.068 11.027 -6.798 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.076 9.960 -6.693 1.00 0.00 C ATOM 1542 C GLU A 92 -4.241 9.239 -5.344 1.00 0.00 C ATOM 1543 O GLU A 92 -3.860 8.081 -5.191 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.660 10.526 -6.849 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.648 9.525 -7.383 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.833 9.213 -8.872 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -1.809 10.144 -9.695 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.993 8.012 -9.214 1.00 0.00 O ATOM 0 H GLU A 92 -4.677 11.968 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.233 9.240 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.695 11.384 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.318 10.892 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.643 9.914 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.726 8.600 -6.812 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.841 9.911 -4.369 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.154 9.276 -3.085 1.00 0.00 C ATOM 1557 C LEU A 93 -6.318 8.306 -3.302 1.00 0.00 C ATOM 1558 O LEU A 93 -6.372 7.235 -2.702 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.510 10.318 -2.016 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.712 9.791 -0.585 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.429 9.190 0.003 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.195 10.938 0.300 1.00 0.00 C ATOM 0 H LEU A 93 -5.121 10.889 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.278 8.738 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.720 11.069 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.424 10.825 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.453 8.993 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.625 8.833 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.099 8.358 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.650 9.952 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.342 10.576 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.451 11.734 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.138 11.324 -0.087 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.242 8.646 -4.187 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.302 7.694 -4.533 1.00 0.00 C ATOM 1576 C GLU A 94 -7.706 6.581 -5.411 1.00 0.00 C ATOM 1577 O GLU A 94 -8.199 5.462 -5.428 1.00 0.00 O ATOM 1578 CB GLU A 94 -9.484 8.382 -5.219 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.372 9.167 -4.243 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.088 8.257 -3.233 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -12.206 7.784 -3.531 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -10.542 8.017 -2.130 1.00 0.00 O ATOM 0 H GLU A 94 -7.287 9.544 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.697 7.255 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.108 9.060 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.089 7.631 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.761 9.892 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.114 9.732 -4.807 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.618 6.857 -6.111 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.919 5.801 -6.847 1.00 0.00 C ATOM 1591 C GLN A 95 -5.155 4.888 -5.863 1.00 0.00 C ATOM 1592 O GLN A 95 -4.930 3.709 -6.139 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.963 6.388 -7.882 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.628 7.144 -9.032 1.00 0.00 C ATOM 1595 CD GLN A 95 -6.489 6.250 -9.896 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -6.129 5.108 -10.192 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -7.615 6.754 -10.314 1.00 0.00 N ATOM 0 H GLN A 95 -6.200 7.784 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.662 5.207 -7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.275 7.064 -7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.364 5.578 -8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.240 7.949 -8.626 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.859 7.608 -9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.879 7.703 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -8.233 6.200 -10.907 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.781 5.415 -4.702 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.192 4.599 -3.623 1.00 0.00 C ATOM 1608 C VAL A 96 -5.314 3.702 -3.099 1.00 0.00 C ATOM 1609 O VAL A 96 -5.115 2.506 -2.831 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.609 5.504 -2.475 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.546 4.770 -1.125 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.237 6.019 -2.863 1.00 0.00 C ATOM 0 H VAL A 96 -4.872 6.405 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.357 4.006 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.289 6.346 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.137 5.438 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.549 4.460 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.907 3.892 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.843 6.644 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.566 5.176 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.314 6.607 -3.777 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.509 4.270 -2.984 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.683 3.508 -2.565 1.00 0.00 C ATOM 1624 C ARG A 97 -7.910 2.362 -3.545 1.00 0.00 C ATOM 1625 O ARG A 97 -8.258 1.270 -3.136 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.914 4.417 -2.517 1.00 0.00 C ATOM 1627 CG ARG A 97 -10.093 3.863 -1.764 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.350 4.588 -2.214 1.00 0.00 C ATOM 1629 NE ARG A 97 -12.443 4.443 -1.240 1.00 0.00 N ATOM 1630 CZ ARG A 97 -12.983 5.437 -0.541 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -12.611 6.683 -0.662 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -13.935 5.160 0.308 1.00 0.00 N ATOM 0 H ARG A 97 -6.692 5.255 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.517 3.104 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.627 5.366 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.226 4.634 -3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.189 2.793 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.948 3.990 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.128 5.646 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.669 4.196 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.816 3.506 -1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.871 6.933 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.060 7.406 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.250 4.197 0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.364 5.907 0.855 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.695 2.601 -4.830 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.823 1.545 -5.842 1.00 0.00 C ATOM 1648 C GLU A 98 -6.705 0.503 -5.729 1.00 0.00 C ATOM 1649 O GLU A 98 -6.948 -0.686 -5.930 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.833 2.145 -7.251 1.00 0.00 C ATOM 1651 CG GLU A 98 -9.160 2.795 -7.611 1.00 0.00 C ATOM 1652 CD GLU A 98 -10.300 1.792 -7.584 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -11.214 1.931 -6.744 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.290 0.840 -8.394 1.00 0.00 O ATOM 0 H GLU A 98 -7.431 3.513 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.771 1.040 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.038 2.887 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.610 1.361 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.370 3.605 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.090 3.240 -8.603 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.493 0.931 -5.390 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.383 -0.004 -5.173 1.00 0.00 C ATOM 1663 C ALA A 99 -4.785 -0.938 -4.020 1.00 0.00 C ATOM 1664 O ALA A 99 -4.699 -2.175 -4.120 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.096 0.757 -4.844 1.00 0.00 C ATOM 0 H ALA A 99 -5.250 1.913 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.187 -0.585 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.284 0.047 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.843 1.420 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.243 1.347 -3.939 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.251 -0.337 -2.933 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.696 -1.108 -1.773 1.00 0.00 C ATOM 1673 C LEU A 100 -6.900 -1.981 -2.125 1.00 0.00 C ATOM 1674 O LEU A 100 -7.003 -3.118 -1.676 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.055 -0.162 -0.622 1.00 0.00 C ATOM 1676 CG LEU A 100 -4.855 0.546 0.033 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.348 1.684 0.922 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -4.022 -0.436 0.861 1.00 0.00 C ATOM 0 H LEU A 100 -5.332 0.674 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.880 -1.760 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.746 0.595 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.586 -0.729 0.143 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.222 0.949 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.495 2.181 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.904 2.402 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.998 1.283 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.181 0.091 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.643 -0.868 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.648 -1.231 0.215 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.811 -1.468 -2.939 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.986 -2.240 -3.345 1.00 0.00 C ATOM 1692 C ARG A 101 -8.579 -3.448 -4.177 1.00 0.00 C ATOM 1693 O ARG A 101 -9.208 -4.494 -4.076 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.988 -1.362 -4.104 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.382 -1.978 -4.182 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.431 -0.948 -4.598 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.290 -0.538 -6.004 1.00 0.00 N ATOM 1698 CZ ARG A 101 -12.907 -1.088 -7.041 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -13.758 -2.078 -6.913 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -12.665 -0.630 -8.231 1.00 0.00 N ATOM 0 H ARG A 101 -7.764 -0.528 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.478 -2.602 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.053 -0.390 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.617 -1.187 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.377 -2.801 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.649 -2.399 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.426 -1.364 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.348 -0.070 -3.957 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.660 0.240 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.967 -2.454 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.210 -2.472 -7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.009 0.141 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.131 -1.041 -9.040 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.530 -3.332 -4.982 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.029 -4.494 -5.726 1.00 0.00 C ATOM 1716 C LYS A 102 -6.432 -5.488 -4.736 1.00 0.00 C ATOM 1717 O LYS A 102 -6.647 -6.678 -4.880 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.994 -4.103 -6.795 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.433 -5.321 -7.582 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.506 -4.894 -8.729 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.821 -6.096 -9.430 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.601 -6.633 -8.696 1.00 0.00 N ATOM 0 H LYS A 102 -7.014 -2.466 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.864 -4.949 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.452 -3.406 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.168 -3.577 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.887 -5.972 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.261 -5.904 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.081 -4.331 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.741 -4.222 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.548 -6.901 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.524 -5.795 -10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.021 -7.195 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.039 -5.839 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.909 -7.233 -7.904 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.711 -5.015 -3.727 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.147 -5.927 -2.721 1.00 0.00 C ATOM 1738 C ALA A 103 -6.280 -6.680 -1.990 1.00 0.00 C ATOM 1739 O ALA A 103 -6.244 -7.913 -1.819 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.289 -5.139 -1.721 1.00 0.00 C ATOM 0 H ALA A 103 -5.502 -4.028 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.514 -6.660 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.875 -5.822 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.476 -4.643 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.906 -4.392 -1.222 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.294 -5.932 -1.581 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.457 -6.516 -0.915 1.00 0.00 C ATOM 1748 C GLU A 104 -9.112 -7.526 -1.850 1.00 0.00 C ATOM 1749 O GLU A 104 -9.484 -8.612 -1.440 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.474 -5.425 -0.554 1.00 0.00 C ATOM 1751 CG GLU A 104 -9.034 -4.497 0.575 1.00 0.00 C ATOM 1752 CD GLU A 104 -9.469 -4.998 1.942 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -8.992 -6.073 2.371 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -10.299 -4.324 2.586 1.00 0.00 O ATOM 0 H GLU A 104 -7.338 -4.920 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.131 -7.008 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.675 -4.826 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.413 -5.901 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.949 -4.397 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.449 -3.503 0.407 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.241 -7.170 -3.122 1.00 0.00 N ATOM 1762 CA LYS A 105 -9.847 -8.064 -4.109 1.00 0.00 C ATOM 1763 C LYS A 105 -9.047 -9.349 -4.226 1.00 0.00 C ATOM 1764 O LYS A 105 -9.631 -10.422 -4.316 1.00 0.00 O ATOM 1765 CB LYS A 105 -9.936 -7.376 -5.481 1.00 0.00 C ATOM 1766 CG LYS A 105 -10.717 -8.168 -6.540 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.107 -7.572 -6.823 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.049 -7.627 -5.602 1.00 0.00 C ATOM 1769 NZ LYS A 105 -13.259 -9.035 -5.084 1.00 0.00 N ATOM 0 H LYS A 105 -8.936 -6.272 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.855 -8.306 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.406 -6.401 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.926 -7.198 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.142 -8.194 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.830 -9.199 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.994 -6.535 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.565 -8.111 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.638 -7.009 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.013 -7.197 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.926 -9.016 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.646 -9.630 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.350 -9.427 -4.766 1.00 0.00 H new ATOM 1783 N GLU A 106 -7.728 -9.241 -4.214 1.00 0.00 N ATOM 1784 CA GLU A 106 -6.864 -10.413 -4.286 1.00 0.00 C ATOM 1785 C GLU A 106 -7.071 -11.275 -3.059 1.00 0.00 C ATOM 1786 O GLU A 106 -7.319 -12.466 -3.181 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.389 -10.013 -4.351 1.00 0.00 C ATOM 1788 CG GLU A 106 -4.948 -9.462 -5.686 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.550 -8.873 -5.617 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.750 -9.304 -4.759 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.246 -7.980 -6.435 1.00 0.00 O ATOM 0 H GLU A 106 -7.230 -8.353 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.124 -10.962 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.194 -9.266 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.779 -10.884 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.972 -10.255 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.650 -8.695 -6.013 1.00 0.00 H new ATOM 1798 N LEU A 107 -6.985 -10.688 -1.874 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.116 -11.487 -0.649 1.00 0.00 C ATOM 1800 C LEU A 107 -8.483 -12.174 -0.562 1.00 0.00 C ATOM 1801 O LEU A 107 -8.584 -13.370 -0.219 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.861 -10.600 0.569 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.399 -10.125 0.634 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.240 -9.003 1.634 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.467 -11.291 0.989 1.00 0.00 C ATOM 0 H LEU A 107 -6.830 -9.691 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.369 -12.281 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.523 -9.735 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.105 -11.151 1.477 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.124 -9.747 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.198 -8.685 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.868 -8.162 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.539 -9.352 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.438 -10.935 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.749 -11.699 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.552 -12.069 0.230 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.527 -11.437 -0.902 1.00 0.00 N ATOM 1818 CA GLU A 108 -10.873 -11.996 -0.927 1.00 0.00 C ATOM 1819 C GLU A 108 -10.908 -13.148 -1.925 1.00 0.00 C ATOM 1820 O GLU A 108 -11.478 -14.189 -1.645 1.00 0.00 O ATOM 1821 CB GLU A 108 -11.902 -10.929 -1.318 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.176 -9.906 -0.213 1.00 0.00 C ATOM 1823 CD GLU A 108 -12.882 -10.518 0.983 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.043 -10.955 0.823 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -12.286 -10.554 2.082 1.00 0.00 O ATOM 0 H GLU A 108 -9.472 -10.453 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.129 -12.357 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.550 -10.405 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.837 -11.420 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.233 -9.465 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.785 -9.096 -0.615 1.00 0.00 H new ATOM 1832 N SER A 109 -10.286 -12.980 -3.087 1.00 0.00 N ATOM 1833 CA SER A 109 -10.286 -14.034 -4.105 1.00 0.00 C ATOM 1834 C SER A 109 -9.513 -15.279 -3.674 1.00 0.00 C ATOM 1835 O SER A 109 -9.878 -16.389 -4.061 1.00 0.00 O ATOM 1836 CB SER A 109 -9.737 -13.515 -5.440 1.00 0.00 C ATOM 1837 OG SER A 109 -8.343 -13.264 -5.399 1.00 0.00 O ATOM 0 H SER A 109 -9.779 -12.135 -3.350 1.00 0.00 H new ATOM 0 HA SER A 109 -11.328 -14.327 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.948 -14.244 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.259 -12.597 -5.710 1.00 0.00 H new ATOM 0 HG SER A 109 -8.074 -13.060 -4.479 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.472 -15.126 -2.859 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.712 -16.295 -2.415 1.00 0.00 C ATOM 1845 C HIS A 110 -8.505 -16.988 -1.308 1.00 0.00 C ATOM 1846 O HIS A 110 -8.309 -18.168 -1.046 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.350 -15.903 -1.809 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.421 -15.196 -2.752 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -4.938 -15.717 -3.931 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.832 -13.971 -2.647 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.114 -14.826 -4.472 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.011 -13.738 -3.732 1.00 0.00 N ATOM 0 H HIS A 110 -8.141 -14.231 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.547 -16.934 -3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.524 -15.262 -0.944 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.858 -16.804 -1.444 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.172 -16.630 -4.322 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.986 -13.281 -1.831 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -3.591 -14.974 -5.405 1.00 0.00 H new ATOM 1860 N SER A 111 -9.416 -16.260 -0.675 1.00 0.00 N ATOM 1861 CA SER A 111 -10.236 -16.825 0.405 1.00 0.00 C ATOM 1862 C SER A 111 -11.653 -17.215 -0.038 1.00 0.00 C ATOM 1863 O SER A 111 -12.412 -17.781 0.743 1.00 0.00 O ATOM 1864 CB SER A 111 -10.333 -15.805 1.532 1.00 0.00 C ATOM 1865 OG SER A 111 -10.831 -14.580 1.034 1.00 0.00 O ATOM 0 H SER A 111 -9.610 -15.281 -0.885 1.00 0.00 H new ATOM 0 HA SER A 111 -9.745 -17.742 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.988 -16.181 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.352 -15.652 1.981 1.00 0.00 H new ATOM 0 HG SER A 111 -10.103 -14.079 0.610 1.00 0.00 H new ATOM 1871 N SER A 112 -12.008 -16.916 -1.282 1.00 0.00 N ATOM 1872 CA SER A 112 -13.364 -17.178 -1.790 1.00 0.00 C ATOM 1873 C SER A 112 -13.739 -18.657 -1.838 1.00 0.00 C ATOM 1874 O SER A 112 -14.917 -19.004 -1.752 1.00 0.00 O ATOM 1875 CB SER A 112 -13.521 -16.597 -3.196 1.00 0.00 C ATOM 1876 OG SER A 112 -13.442 -15.182 -3.180 1.00 0.00 O ATOM 0 H SER A 112 -11.380 -16.491 -1.964 1.00 0.00 H new ATOM 0 HA SER A 112 -14.036 -16.696 -1.080 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.745 -16.999 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.479 -16.905 -3.614 1.00 0.00 H new ATOM 0 HG SER A 112 -12.736 -14.901 -2.561 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.754 -19.529 -1.985 1.00 0.00 N ATOM 1883 CA TRP A 113 -13.007 -20.964 -2.013 1.00 0.00 C ATOM 1884 C TRP A 113 -11.759 -21.678 -1.510 1.00 0.00 C ATOM 1885 O TRP A 113 -10.683 -21.090 -1.484 1.00 0.00 O ATOM 1886 CB TRP A 113 -13.408 -21.431 -3.420 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.967 -22.821 -3.404 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -13.398 -23.944 -3.902 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -15.218 -23.250 -2.829 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -14.166 -25.044 -3.668 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -15.304 -24.661 -3.018 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -16.268 -22.590 -2.158 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -16.406 -25.418 -2.573 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -17.381 -23.349 -1.707 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -17.437 -24.757 -1.927 1.00 0.00 C ATOM 0 H TRP A 113 -11.773 -19.270 -2.087 1.00 0.00 H new ATOM 0 HA TRP A 113 -13.847 -21.207 -1.362 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -14.148 -20.746 -3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -12.539 -21.396 -4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.451 -23.965 -4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.929 -26.000 -3.935 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -16.227 -21.524 -1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -16.445 -26.486 -2.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -18.192 -22.855 -1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -18.296 -25.316 -1.585 1.00 0.00 H new ATOM 1906 N TYR A 114 -11.921 -22.927 -1.096 1.00 0.00 N ATOM 1907 CA TYR A 114 -10.861 -23.711 -0.460 1.00 0.00 C ATOM 1908 C TYR A 114 -10.420 -24.951 -1.250 1.00 0.00 C ATOM 1909 O TYR A 114 -9.702 -25.780 -0.713 1.00 0.00 O ATOM 1910 CB TYR A 114 -11.392 -24.164 0.903 1.00 0.00 C ATOM 1911 CG TYR A 114 -12.759 -24.818 0.821 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -12.909 -26.137 0.346 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -13.918 -24.111 1.209 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -14.191 -26.741 0.264 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -15.201 -24.714 1.124 1.00 0.00 C ATOM 1916 CZ TYR A 114 -15.320 -26.026 0.656 1.00 0.00 C ATOM 1917 OH TYR A 114 -16.559 -26.612 0.584 1.00 0.00 O ATOM 0 H TYR A 114 -12.801 -23.434 -1.192 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.980 -23.072 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.686 -24.866 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -11.447 -23.303 1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -12.037 -26.695 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -13.828 -23.099 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -14.291 -27.752 -0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -16.081 -24.162 1.420 1.00 0.00 H new ATOM 0 HH TYR A 114 -17.059 -26.229 -0.167 1.00 0.00 H new ATOM 1927 N ALA A 115 -10.871 -25.059 -2.497 1.00 0.00 N ATOM 1928 CA ALA A 115 -10.642 -26.232 -3.378 1.00 0.00 C ATOM 1929 C ALA A 115 -11.337 -27.488 -2.819 1.00 0.00 C ATOM 1930 O ALA A 115 -10.682 -28.539 -2.632 1.00 0.00 O ATOM 1931 CB ALA A 115 -9.117 -26.484 -3.640 1.00 0.00 C ATOM 1932 OXT ALA A 115 -12.558 -27.387 -2.590 1.00 0.00 O ATOM 0 H ALA A 115 -11.419 -24.325 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.092 -26.004 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.998 -27.352 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.681 -25.608 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.610 -26.668 -2.692 1.00 0.00 H new TER 1938 ALA A 115