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+ 152:sc= 3.35 (180deg=1.45) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.75 K(o=5.1,f=-14!) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.173 K(o=0.6,f=-3.4!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -153:sc= 0.422 (180deg=0) USER MOD Set 3.1: A 38 HIS : no HD1:sc= 0 X(o=-2.7,f=-2.3) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.401 X(o=-2.7,f=-2.3) USER MOD Set 3.3: A 53 HIS : no HD1:sc= -2.34! C(o=-2.7!,f=-2.3!) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.07 K(o=-0.29,f=-8.7!) USER MOD Set 4.2: A 34 GLN : amide:sc= -1.37 X(o=-0.29,f=-0.31) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.157 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -70:sc= 1.29 USER MOD Single : A 10 LYS NZ :NH3+ 146:sc= 1.6 (180deg=0.49) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -170:sc= 0 (180deg=-0.118) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.25) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= -0.232 (180deg=-1.94!) USER MOD Single : A 16 MET CE :methyl -148:sc= -0.0379 (180deg=-0.461) USER MOD Single : A 17 MET CE :methyl 175:sc= -0.034 (180deg=-0.0877) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -1.14 (180deg=-1.48!) USER MOD Single : A 24 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 28 GLN : amide:sc= 0.484 K(o=0.48,f=-6.4!) USER MOD Single : A 29 SER OG : rot -36:sc= 1.32 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.332 F(o=-1.1,f=-0.33) USER MOD Single : A 46 THR OG1 : rot 101:sc= 1.97 USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 1.25 (180deg=0.176) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.14) USER MOD Single : A 67 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.25) USER MOD Single : A 70 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -120:sc= 0.718 USER MOD Single : A 81 ASN : amide:sc= -0.491 K(o=-0.49,f=-4.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 1.15 (180deg=0.976) USER MOD Single : A 88 TYR OH : rot -9:sc= 0.734 USER MOD Single : A 95 GLN : amide:sc= 0.212 X(o=0.21,f=-0.094) USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.18) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 43:sc= 1.32 USER MOD Single : A 111 SER OG : rot -96:sc= 1.22 USER MOD Single : A 112 SER OG : rot 44:sc= 1.2 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.213 31.967 8.606 1.00 0.00 N ATOM 2 CA GLY A 1 13.213 32.472 7.208 1.00 0.00 C ATOM 3 C GLY A 1 12.097 31.859 6.404 1.00 0.00 C ATOM 4 O GLY A 1 11.248 31.220 6.996 1.00 0.00 O ATOM 0 H1 GLY A 1 13.208 32.771 9.266 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.367 31.384 8.764 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.064 31.392 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.108 33.557 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.170 32.246 6.737 1.00 0.00 H new ATOM 10 N SER A 2 12.105 32.048 5.085 1.00 0.00 N ATOM 11 CA SER A 2 11.088 31.481 4.173 1.00 0.00 C ATOM 12 C SER A 2 9.629 31.701 4.619 1.00 0.00 C ATOM 13 O SER A 2 8.964 30.775 5.091 1.00 0.00 O ATOM 14 CB SER A 2 11.339 29.987 3.958 1.00 0.00 C ATOM 15 OG SER A 2 10.629 29.539 2.817 1.00 0.00 O ATOM 0 H SER A 2 12.817 32.600 4.607 1.00 0.00 H new ATOM 0 HA SER A 2 11.204 32.031 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.406 29.803 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.023 29.426 4.837 1.00 0.00 H new ATOM 0 HG SER A 2 10.916 28.630 2.589 1.00 0.00 H new ATOM 21 N PRO A 3 9.109 32.935 4.469 1.00 0.00 N ATOM 22 CA PRO A 3 7.726 33.165 4.915 1.00 0.00 C ATOM 23 C PRO A 3 6.686 32.261 4.256 1.00 0.00 C ATOM 24 O PRO A 3 5.718 31.868 4.894 1.00 0.00 O ATOM 25 CB PRO A 3 7.475 34.627 4.526 1.00 0.00 C ATOM 26 CG PRO A 3 8.824 35.239 4.488 1.00 0.00 C ATOM 27 CD PRO A 3 9.704 34.169 3.920 1.00 0.00 C ATOM 0 HA PRO A 3 7.623 32.944 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.979 34.700 3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.833 35.126 5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.836 36.135 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.153 35.537 5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.695 34.173 2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.742 34.291 4.230 1.00 0.00 H new ATOM 35 N GLU A 4 6.882 31.919 2.990 1.00 0.00 N ATOM 36 CA GLU A 4 5.927 31.068 2.281 1.00 0.00 C ATOM 37 C GLU A 4 5.893 29.650 2.835 1.00 0.00 C ATOM 38 O GLU A 4 4.826 29.044 2.916 1.00 0.00 O ATOM 39 CB GLU A 4 6.259 31.023 0.796 1.00 0.00 C ATOM 40 CG GLU A 4 6.039 32.353 0.109 1.00 0.00 C ATOM 41 CD GLU A 4 6.201 32.243 -1.389 1.00 0.00 C ATOM 42 OE1 GLU A 4 5.203 32.446 -2.111 1.00 0.00 O ATOM 43 OE2 GLU A 4 7.323 31.945 -1.844 1.00 0.00 O ATOM 0 H GLU A 4 7.685 32.213 2.434 1.00 0.00 H new ATOM 0 HA GLU A 4 4.941 31.508 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.298 30.720 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.645 30.263 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.040 32.721 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.746 33.085 0.499 1.00 0.00 H new ATOM 50 N PHE A 5 7.043 29.125 3.240 1.00 0.00 N ATOM 51 CA PHE A 5 7.084 27.778 3.801 1.00 0.00 C ATOM 52 C PHE A 5 6.231 27.747 5.051 1.00 0.00 C ATOM 53 O PHE A 5 5.510 26.795 5.296 1.00 0.00 O ATOM 54 CB PHE A 5 8.515 27.356 4.138 1.00 0.00 C ATOM 55 CG PHE A 5 8.618 25.950 4.665 1.00 0.00 C ATOM 56 CD1 PHE A 5 8.520 25.692 6.046 1.00 0.00 C ATOM 57 CD2 PHE A 5 8.808 24.871 3.782 1.00 0.00 C ATOM 58 CE1 PHE A 5 8.600 24.367 6.544 1.00 0.00 C ATOM 59 CE2 PHE A 5 8.889 23.540 4.266 1.00 0.00 C ATOM 60 CZ PHE A 5 8.785 23.290 5.650 1.00 0.00 C ATOM 0 H PHE A 5 7.945 29.600 3.193 1.00 0.00 H new ATOM 0 HA PHE A 5 6.699 27.077 3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.132 27.447 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.923 28.044 4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.382 26.513 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.893 25.059 2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.520 24.182 7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.030 22.721 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.847 22.279 6.025 1.00 0.00 H new ATOM 70 N ASN A 6 6.299 28.810 5.837 1.00 0.00 N ATOM 71 CA ASN A 6 5.498 28.893 7.052 1.00 0.00 C ATOM 72 C ASN A 6 4.025 29.068 6.677 1.00 0.00 C ATOM 73 O ASN A 6 3.144 28.492 7.305 1.00 0.00 O ATOM 74 CB ASN A 6 5.969 30.059 7.923 1.00 0.00 C ATOM 75 CG ASN A 6 7.420 29.938 8.309 1.00 0.00 C ATOM 76 OD1 ASN A 6 7.892 28.875 8.668 1.00 0.00 O ATOM 77 ND2 ASN A 6 8.134 31.024 8.227 1.00 0.00 N ATOM 0 H ASN A 6 6.893 29.620 5.660 1.00 0.00 H new ATOM 0 HA ASN A 6 5.616 27.973 7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.816 30.995 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.359 30.105 8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.125 31.002 8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.702 31.896 7.922 1.00 0.00 H new ATOM 84 N ARG A 7 3.767 29.854 5.641 1.00 0.00 N ATOM 85 CA ARG A 7 2.402 30.110 5.167 1.00 0.00 C ATOM 86 C ARG A 7 1.688 28.820 4.767 1.00 0.00 C ATOM 87 O ARG A 7 0.518 28.640 5.103 1.00 0.00 O ATOM 88 CB ARG A 7 2.445 31.076 3.975 1.00 0.00 C ATOM 89 CG ARG A 7 1.090 31.491 3.431 1.00 0.00 C ATOM 90 CD ARG A 7 1.279 32.382 2.206 1.00 0.00 C ATOM 91 NE ARG A 7 -0.001 32.701 1.550 1.00 0.00 N ATOM 92 CZ ARG A 7 -0.599 31.950 0.629 1.00 0.00 C ATOM 93 NH1 ARG A 7 -0.099 30.810 0.210 1.00 0.00 N ATOM 94 NH2 ARG A 7 -1.729 32.355 0.119 1.00 0.00 N ATOM 0 H ARG A 7 4.490 30.333 5.104 1.00 0.00 H new ATOM 0 HA ARG A 7 1.839 30.556 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.989 31.972 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.015 30.610 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.508 30.608 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.527 32.024 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.774 33.307 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.937 31.884 1.494 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.466 33.567 1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.782 30.468 0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.592 30.267 -0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.141 33.236 0.427 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.201 31.791 -0.588 1.00 0.00 H new ATOM 108 N TYR A 8 2.369 27.919 4.068 1.00 0.00 N ATOM 109 CA TYR A 8 1.727 26.660 3.672 1.00 0.00 C ATOM 110 C TYR A 8 2.048 25.498 4.614 1.00 0.00 C ATOM 111 O TYR A 8 1.624 24.369 4.371 1.00 0.00 O ATOM 112 CB TYR A 8 2.044 26.292 2.208 1.00 0.00 C ATOM 113 CG TYR A 8 3.505 26.065 1.841 1.00 0.00 C ATOM 114 CD1 TYR A 8 4.237 24.983 2.374 1.00 0.00 C ATOM 115 CD2 TYR A 8 4.153 26.920 0.924 1.00 0.00 C ATOM 116 CE1 TYR A 8 5.584 24.750 1.989 1.00 0.00 C ATOM 117 CE2 TYR A 8 5.503 26.690 0.539 1.00 0.00 C ATOM 118 CZ TYR A 8 6.198 25.603 1.068 1.00 0.00 C ATOM 119 OH TYR A 8 7.493 25.377 0.683 1.00 0.00 O ATOM 0 H TYR A 8 3.338 28.026 3.768 1.00 0.00 H new ATOM 0 HA TYR A 8 0.654 26.836 3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.490 25.386 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.656 27.086 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.766 24.322 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.617 27.760 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.131 23.918 2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.988 27.355 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 8 7.767 26.062 0.037 1.00 0.00 H new ATOM 129 N SER A 9 2.778 25.765 5.693 1.00 0.00 N ATOM 130 CA SER A 9 3.194 24.704 6.626 1.00 0.00 C ATOM 131 C SER A 9 2.020 23.906 7.172 1.00 0.00 C ATOM 132 O SER A 9 2.141 22.712 7.404 1.00 0.00 O ATOM 133 CB SER A 9 3.975 25.286 7.808 1.00 0.00 C ATOM 134 OG SER A 9 3.158 26.146 8.585 1.00 0.00 O ATOM 0 H SER A 9 3.096 26.700 5.949 1.00 0.00 H new ATOM 0 HA SER A 9 3.828 24.033 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.353 24.476 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.841 25.836 7.440 1.00 0.00 H new ATOM 0 HG SER A 9 2.972 26.965 8.080 1.00 0.00 H new ATOM 140 N LYS A 10 0.887 24.568 7.361 1.00 0.00 N ATOM 141 CA LYS A 10 -0.327 23.921 7.865 1.00 0.00 C ATOM 142 C LYS A 10 -0.711 22.683 7.046 1.00 0.00 C ATOM 143 O LYS A 10 -0.807 21.572 7.570 1.00 0.00 O ATOM 144 CB LYS A 10 -1.493 24.929 7.857 1.00 0.00 C ATOM 145 CG LYS A 10 -1.494 25.901 6.646 1.00 0.00 C ATOM 146 CD LYS A 10 -2.864 26.519 6.425 1.00 0.00 C ATOM 147 CE LYS A 10 -2.959 27.189 5.048 1.00 0.00 C ATOM 148 NZ LYS A 10 -2.985 26.177 3.924 1.00 0.00 N ATOM 0 H LYS A 10 0.778 25.564 7.172 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.122 23.589 8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.433 24.378 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.458 25.514 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.761 26.690 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.187 25.365 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.631 25.749 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.063 27.255 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.859 27.802 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.110 27.860 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.587 26.530 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.019 26.028 3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.367 25.276 4.277 1.00 0.00 H new ATOM 162 N GLU A 11 -0.942 22.885 5.761 1.00 0.00 N ATOM 163 CA GLU A 11 -1.377 21.813 4.889 1.00 0.00 C ATOM 164 C GLU A 11 -0.220 20.918 4.551 1.00 0.00 C ATOM 165 O GLU A 11 -0.402 19.734 4.412 1.00 0.00 O ATOM 166 CB GLU A 11 -1.969 22.374 3.605 1.00 0.00 C ATOM 167 CG GLU A 11 -3.425 22.016 3.409 1.00 0.00 C ATOM 168 CD GLU A 11 -4.296 22.571 4.516 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.326 23.809 4.699 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.947 21.762 5.214 1.00 0.00 O ATOM 0 H GLU A 11 -0.834 23.787 5.298 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.141 21.239 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.867 23.459 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.394 22.004 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.768 22.402 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.531 20.932 3.373 1.00 0.00 H new ATOM 177 N HIS A 12 0.972 21.483 4.434 1.00 0.00 N ATOM 178 CA HIS A 12 2.159 20.688 4.141 1.00 0.00 C ATOM 179 C HIS A 12 2.326 19.621 5.218 1.00 0.00 C ATOM 180 O HIS A 12 2.467 18.451 4.912 1.00 0.00 O ATOM 181 CB HIS A 12 3.387 21.599 4.086 1.00 0.00 C ATOM 182 CG HIS A 12 4.673 20.875 3.843 1.00 0.00 C ATOM 183 ND1 HIS A 12 5.850 21.159 4.491 1.00 0.00 N ATOM 184 CD2 HIS A 12 4.978 19.860 2.987 1.00 0.00 C ATOM 185 CE1 HIS A 12 6.786 20.336 4.033 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.312 19.526 3.111 1.00 0.00 N ATOM 0 H HIS A 12 1.145 22.483 4.536 1.00 0.00 H new ATOM 0 HA HIS A 12 2.050 20.198 3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.243 22.337 3.297 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.462 22.147 5.025 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.280 19.387 2.312 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.810 20.332 4.375 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.821 18.806 2.598 1.00 0.00 H new ATOM 194 N MET A 13 2.283 20.023 6.479 1.00 0.00 N ATOM 195 CA MET A 13 2.424 19.078 7.583 1.00 0.00 C ATOM 196 C MET A 13 1.265 18.085 7.578 1.00 0.00 C ATOM 197 O MET A 13 1.482 16.879 7.631 1.00 0.00 O ATOM 198 CB MET A 13 2.485 19.844 8.914 1.00 0.00 C ATOM 199 CG MET A 13 2.747 18.981 10.154 1.00 0.00 C ATOM 200 SD MET A 13 1.285 18.100 10.769 1.00 0.00 S ATOM 201 CE MET A 13 0.287 19.435 11.463 1.00 0.00 C ATOM 0 H MET A 13 2.152 20.993 6.766 1.00 0.00 H new ATOM 0 HA MET A 13 3.350 18.516 7.462 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.268 20.599 8.845 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.543 20.374 9.053 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.524 18.253 9.919 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.136 19.616 10.950 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.545 19.012 12.026 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.903 20.042 12.127 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.100 20.057 10.656 1.00 0.00 H new ATOM 211 N LYS A 14 0.037 18.586 7.503 1.00 0.00 N ATOM 212 CA LYS A 14 -1.148 17.718 7.536 1.00 0.00 C ATOM 213 C LYS A 14 -1.149 16.690 6.402 1.00 0.00 C ATOM 214 O LYS A 14 -1.429 15.504 6.610 1.00 0.00 O ATOM 215 CB LYS A 14 -2.405 18.594 7.464 1.00 0.00 C ATOM 216 CG LYS A 14 -3.717 17.830 7.566 1.00 0.00 C ATOM 217 CD LYS A 14 -4.901 18.795 7.684 1.00 0.00 C ATOM 218 CE LYS A 14 -5.955 18.550 6.604 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.477 18.993 5.250 1.00 0.00 N ATOM 0 H LYS A 14 -0.170 19.581 7.419 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.132 17.154 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.365 19.330 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.394 19.146 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.844 17.197 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.692 17.170 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.359 18.687 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.540 19.821 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.204 17.489 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.870 19.085 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.212 18.796 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.279 20.014 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.609 18.477 5.002 1.00 0.00 H new ATOM 233 N LYS A 15 -0.849 17.147 5.198 1.00 0.00 N ATOM 234 CA LYS A 15 -0.855 16.283 4.028 1.00 0.00 C ATOM 235 C LYS A 15 0.287 15.292 4.098 1.00 0.00 C ATOM 236 O LYS A 15 0.074 14.122 3.860 1.00 0.00 O ATOM 237 CB LYS A 15 -0.780 17.113 2.740 1.00 0.00 C ATOM 238 CG LYS A 15 -0.817 16.269 1.492 1.00 0.00 C ATOM 239 CD LYS A 15 -1.078 17.094 0.243 1.00 0.00 C ATOM 240 CE LYS A 15 -0.914 16.244 -1.015 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.778 15.012 -0.987 1.00 0.00 N ATOM 0 H LYS A 15 -0.597 18.116 5.004 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.792 15.726 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.611 17.818 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.137 17.702 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.131 15.742 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.594 15.511 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.086 17.507 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.389 17.938 0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.166 16.842 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.131 15.951 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.000 14.721 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.271 14.243 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.661 15.219 -0.478 1.00 0.00 H new ATOM 255 N MET A 16 1.487 15.739 4.440 1.00 0.00 N ATOM 256 CA MET A 16 2.619 14.817 4.520 1.00 0.00 C ATOM 257 C MET A 16 2.407 13.795 5.614 1.00 0.00 C ATOM 258 O MET A 16 2.756 12.644 5.436 1.00 0.00 O ATOM 259 CB MET A 16 3.938 15.556 4.754 1.00 0.00 C ATOM 260 CG MET A 16 4.425 16.337 3.542 1.00 0.00 C ATOM 261 SD MET A 16 4.723 15.265 2.131 1.00 0.00 S ATOM 262 CE MET A 16 3.256 15.610 1.081 1.00 0.00 C ATOM 0 H MET A 16 1.703 16.711 4.663 1.00 0.00 H new ATOM 0 HA MET A 16 2.680 14.305 3.559 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.816 16.242 5.592 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.703 14.834 5.041 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.685 17.092 3.275 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.343 16.867 3.796 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.987 14.712 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.420 15.911 1.712 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.490 16.412 0.381 1.00 0.00 H new ATOM 272 N MET A 17 1.821 14.197 6.733 1.00 0.00 N ATOM 273 CA MET A 17 1.525 13.249 7.804 1.00 0.00 C ATOM 274 C MET A 17 0.620 12.155 7.250 1.00 0.00 C ATOM 275 O MET A 17 0.930 10.980 7.356 1.00 0.00 O ATOM 276 CB MET A 17 0.842 13.958 8.982 1.00 0.00 C ATOM 277 CG MET A 17 0.451 13.028 10.127 1.00 0.00 C ATOM 278 SD MET A 17 -0.373 13.925 11.467 1.00 0.00 S ATOM 279 CE MET A 17 1.020 14.702 12.299 1.00 0.00 C ATOM 0 H MET A 17 1.543 15.160 6.924 1.00 0.00 H new ATOM 0 HA MET A 17 2.454 12.812 8.170 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.511 14.728 9.366 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.052 14.465 8.618 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.210 12.247 9.752 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.342 12.533 10.514 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.653 15.357 13.089 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.660 13.933 12.733 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.593 15.288 11.580 1.00 0.00 H new ATOM 289 N LYS A 18 -0.491 12.550 6.644 1.00 0.00 N ATOM 290 CA LYS A 18 -1.445 11.582 6.096 1.00 0.00 C ATOM 291 C LYS A 18 -0.866 10.753 4.939 1.00 0.00 C ATOM 292 O LYS A 18 -1.077 9.550 4.862 1.00 0.00 O ATOM 293 CB LYS A 18 -2.694 12.342 5.639 1.00 0.00 C ATOM 294 CG LYS A 18 -3.836 11.458 5.106 1.00 0.00 C ATOM 295 CD LYS A 18 -3.886 11.441 3.574 1.00 0.00 C ATOM 296 CE LYS A 18 -4.350 12.785 2.997 1.00 0.00 C ATOM 297 NZ LYS A 18 -4.053 12.853 1.536 1.00 0.00 N ATOM 0 H LYS A 18 -0.757 13.526 6.517 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.691 10.867 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.070 12.929 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.407 13.047 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.709 10.440 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.787 11.822 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.898 11.200 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.561 10.652 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.420 12.910 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.849 13.603 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.574 13.648 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.032 12.994 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.346 11.965 1.080 1.00 0.00 H new ATOM 311 N ASP A 19 -0.148 11.392 4.031 1.00 0.00 N ATOM 312 CA ASP A 19 0.383 10.694 2.854 1.00 0.00 C ATOM 313 C ASP A 19 1.468 9.696 3.247 1.00 0.00 C ATOM 314 O ASP A 19 1.570 8.614 2.672 1.00 0.00 O ATOM 315 CB ASP A 19 0.959 11.695 1.831 1.00 0.00 C ATOM 316 CG ASP A 19 -0.129 12.557 1.162 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.336 12.295 1.361 1.00 0.00 O ATOM 318 OD2 ASP A 19 0.220 13.498 0.423 1.00 0.00 O ATOM 0 H ASP A 19 0.084 12.384 4.078 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.447 10.154 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.676 12.346 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.506 11.148 1.063 1.00 0.00 H new ATOM 323 N LEU A 20 2.295 10.045 4.218 1.00 0.00 N ATOM 324 CA LEU A 20 3.401 9.167 4.596 1.00 0.00 C ATOM 325 C LEU A 20 2.932 8.113 5.584 1.00 0.00 C ATOM 326 O LEU A 20 3.562 7.071 5.714 1.00 0.00 O ATOM 327 CB LEU A 20 4.600 9.960 5.119 1.00 0.00 C ATOM 328 CG LEU A 20 5.514 10.599 4.038 1.00 0.00 C ATOM 329 CD1 LEU A 20 4.813 10.997 2.704 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.181 11.835 4.638 1.00 0.00 C ATOM 0 H LEU A 20 2.229 10.911 4.753 1.00 0.00 H new ATOM 0 HA LEU A 20 3.744 8.648 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.231 10.753 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.208 9.298 5.736 1.00 0.00 H new ATOM 0 HG LEU A 20 6.228 9.823 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.545 11.433 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.374 10.111 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.029 11.726 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.828 12.298 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.416 12.547 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.776 11.543 5.503 1.00 0.00 H new ATOM 342 N GLU A 21 1.806 8.355 6.238 1.00 0.00 N ATOM 343 CA GLU A 21 1.153 7.315 7.031 1.00 0.00 C ATOM 344 C GLU A 21 0.717 6.263 6.009 1.00 0.00 C ATOM 345 O GLU A 21 0.830 5.061 6.236 1.00 0.00 O ATOM 346 CB GLU A 21 -0.057 7.892 7.777 1.00 0.00 C ATOM 347 CG GLU A 21 -0.808 6.900 8.645 1.00 0.00 C ATOM 348 CD GLU A 21 -2.056 7.528 9.254 1.00 0.00 C ATOM 349 OE1 GLU A 21 -1.921 8.512 10.017 1.00 0.00 O ATOM 350 OE2 GLU A 21 -3.171 7.045 8.963 1.00 0.00 O ATOM 0 H GLU A 21 1.325 9.255 6.238 1.00 0.00 H new ATOM 0 HA GLU A 21 1.811 6.895 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.281 8.717 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.750 8.310 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.090 6.032 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.154 6.542 9.440 1.00 0.00 H new ATOM 357 N GLY A 22 0.254 6.737 4.859 1.00 0.00 N ATOM 358 CA GLY A 22 -0.109 5.852 3.765 1.00 0.00 C ATOM 359 C GLY A 22 1.101 5.153 3.169 1.00 0.00 C ATOM 360 O GLY A 22 1.007 4.006 2.765 1.00 0.00 O ATOM 0 H GLY A 22 0.122 7.729 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.818 5.106 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.615 6.425 2.988 1.00 0.00 H new ATOM 364 N LEU A 23 2.242 5.829 3.119 1.00 0.00 N ATOM 365 CA LEU A 23 3.479 5.227 2.585 1.00 0.00 C ATOM 366 C LEU A 23 3.918 4.079 3.513 1.00 0.00 C ATOM 367 O LEU A 23 4.276 2.968 3.066 1.00 0.00 O ATOM 368 CB LEU A 23 4.569 6.304 2.474 1.00 0.00 C ATOM 369 CG LEU A 23 5.699 6.096 1.450 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.474 7.414 1.306 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.668 4.979 1.836 1.00 0.00 C ATOM 0 H LEU A 23 2.347 6.792 3.438 1.00 0.00 H new ATOM 0 HA LEU A 23 3.304 4.821 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.079 7.250 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.027 6.416 3.457 1.00 0.00 H new ATOM 0 HG LEU A 23 5.237 5.796 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.280 7.285 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.799 8.197 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.894 7.696 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.439 4.886 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.133 5.215 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.124 4.038 1.919 1.00 0.00 H new ATOM 383 N HIS A 24 3.860 4.349 4.811 1.00 0.00 N ATOM 384 CA HIS A 24 4.169 3.345 5.823 1.00 0.00 C ATOM 385 C HIS A 24 3.202 2.190 5.643 1.00 0.00 C ATOM 386 O HIS A 24 3.605 1.035 5.593 1.00 0.00 O ATOM 387 CB HIS A 24 4.031 3.931 7.229 1.00 0.00 C ATOM 388 CG HIS A 24 4.033 2.895 8.312 1.00 0.00 C ATOM 389 ND1 HIS A 24 4.975 1.906 8.440 1.00 0.00 N ATOM 390 CD2 HIS A 24 3.158 2.683 9.334 1.00 0.00 C ATOM 391 CE1 HIS A 24 4.660 1.164 9.493 1.00 0.00 C ATOM 392 NE2 HIS A 24 3.563 1.594 10.082 1.00 0.00 N ATOM 0 H HIS A 24 3.600 5.260 5.190 1.00 0.00 H new ATOM 0 HA HIS A 24 5.198 3.005 5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.849 4.630 7.404 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.105 4.503 7.286 1.00 0.00 H new ATOM 0 HD1 HIS A 24 5.780 1.765 7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.278 3.278 9.531 1.00 0.00 H new ATOM 0 HE1 HIS A 24 5.233 0.311 9.827 1.00 0.00 H new ATOM 400 N ARG A 25 1.919 2.496 5.508 1.00 0.00 N ATOM 401 CA ARG A 25 0.933 1.448 5.275 1.00 0.00 C ATOM 402 C ARG A 25 1.163 0.734 3.959 1.00 0.00 C ATOM 403 O ARG A 25 0.694 -0.365 3.810 1.00 0.00 O ATOM 404 CB ARG A 25 -0.505 1.983 5.305 1.00 0.00 C ATOM 405 CG ARG A 25 -1.271 1.700 6.613 1.00 0.00 C ATOM 406 CD ARG A 25 -1.298 0.198 7.014 1.00 0.00 C ATOM 407 NE ARG A 25 -1.830 -0.700 5.968 1.00 0.00 N ATOM 408 CZ ARG A 25 -1.905 -2.028 6.067 1.00 0.00 C ATOM 409 NH1 ARG A 25 -1.498 -2.682 7.122 1.00 0.00 N ATOM 410 NH2 ARG A 25 -2.405 -2.722 5.083 1.00 0.00 N ATOM 0 H ARG A 25 1.541 3.442 5.554 1.00 0.00 H new ATOM 0 HA ARG A 25 1.062 0.740 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.481 3.060 5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.058 1.545 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.816 2.274 7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.296 2.056 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.286 -0.117 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.901 0.085 7.915 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.165 -0.272 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.103 -2.176 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.575 -3.699 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.737 -2.249 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.464 -3.738 5.154 1.00 0.00 H new ATOM 424 N ALA A 26 1.876 1.330 3.015 1.00 0.00 N ATOM 425 CA ALA A 26 2.184 0.652 1.760 1.00 0.00 C ATOM 426 C ALA A 26 3.299 -0.388 1.962 1.00 0.00 C ATOM 427 O ALA A 26 3.171 -1.508 1.476 1.00 0.00 O ATOM 428 CB ALA A 26 2.569 1.663 0.668 1.00 0.00 C ATOM 0 H ALA A 26 2.251 2.276 3.091 1.00 0.00 H new ATOM 0 HA ALA A 26 1.287 0.128 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.794 1.132 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.740 2.350 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.447 2.225 0.986 1.00 0.00 H new ATOM 434 N GLU A 27 4.375 -0.064 2.674 1.00 0.00 N ATOM 435 CA GLU A 27 5.415 -1.108 2.915 1.00 0.00 C ATOM 436 C GLU A 27 4.815 -2.208 3.827 1.00 0.00 C ATOM 437 O GLU A 27 4.962 -3.478 3.622 1.00 0.00 O ATOM 438 CB GLU A 27 6.744 -0.543 3.476 1.00 0.00 C ATOM 439 CG GLU A 27 6.684 0.730 4.351 1.00 0.00 C ATOM 440 CD GLU A 27 6.742 0.462 5.854 1.00 0.00 C ATOM 441 OE1 GLU A 27 6.481 -0.671 6.299 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.049 1.423 6.598 1.00 0.00 O ATOM 0 H GLU A 27 4.562 0.852 3.081 1.00 0.00 H new ATOM 0 HA GLU A 27 5.690 -1.540 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.218 -1.329 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.401 -0.336 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.512 1.384 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.764 1.269 4.125 1.00 0.00 H new ATOM 449 N GLN A 28 4.086 -1.718 4.815 1.00 0.00 N ATOM 450 CA GLN A 28 3.381 -2.587 5.706 1.00 0.00 C ATOM 451 C GLN A 28 2.434 -3.414 4.867 1.00 0.00 C ATOM 452 O GLN A 28 2.307 -4.557 5.130 1.00 0.00 O ATOM 453 CB GLN A 28 2.635 -1.814 6.794 1.00 0.00 C ATOM 454 CG GLN A 28 2.183 -2.698 7.949 1.00 0.00 C ATOM 455 CD GLN A 28 1.559 -1.907 9.073 1.00 0.00 C ATOM 456 OE1 GLN A 28 0.366 -1.641 9.073 1.00 0.00 O ATOM 457 NE2 GLN A 28 2.355 -1.532 10.034 1.00 0.00 N ATOM 0 H GLN A 28 3.975 -0.723 5.010 1.00 0.00 H new ATOM 0 HA GLN A 28 4.086 -3.229 6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.281 -1.025 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.765 -1.327 6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.464 -3.430 7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.038 -3.255 8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.346 -1.773 9.999 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.988 -0.998 10.821 1.00 0.00 H new ATOM 466 N SER A 29 1.788 -2.861 3.845 1.00 0.00 N ATOM 467 CA SER A 29 0.880 -3.664 3.017 1.00 0.00 C ATOM 468 C SER A 29 1.613 -4.744 2.252 1.00 0.00 C ATOM 469 O SER A 29 1.035 -5.769 2.024 1.00 0.00 O ATOM 470 CB SER A 29 0.035 -2.838 2.036 1.00 0.00 C ATOM 471 OG SER A 29 0.785 -2.360 0.933 1.00 0.00 O ATOM 0 H SER A 29 1.870 -1.882 3.570 1.00 0.00 H new ATOM 0 HA SER A 29 0.198 -4.122 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.790 -3.449 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.404 -1.992 2.565 1.00 0.00 H new ATOM 0 HG SER A 29 1.688 -2.121 1.230 1.00 0.00 H new ATOM 477 N LEU A 30 2.873 -4.544 1.878 1.00 0.00 N ATOM 478 CA LEU A 30 3.645 -5.627 1.235 1.00 0.00 C ATOM 479 C LEU A 30 3.680 -6.743 2.281 1.00 0.00 C ATOM 480 O LEU A 30 3.240 -7.901 2.048 1.00 0.00 O ATOM 481 CB LEU A 30 5.100 -5.205 0.913 1.00 0.00 C ATOM 482 CG LEU A 30 5.378 -3.817 0.325 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.889 -3.623 0.163 1.00 0.00 C ATOM 484 CD2 LEU A 30 4.689 -3.537 -0.972 1.00 0.00 C ATOM 0 H LEU A 30 3.381 -3.668 2.000 1.00 0.00 H new ATOM 0 HA LEU A 30 3.188 -5.914 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.674 -5.288 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.505 -5.940 0.218 1.00 0.00 H new ATOM 0 HG LEU A 30 4.963 -3.103 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.086 -2.636 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.373 -3.708 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.284 -4.387 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.945 -2.533 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.009 -4.264 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.610 -3.609 -0.834 1.00 0.00 H new ATOM 496 N HIS A 31 4.218 -6.413 3.451 1.00 0.00 N ATOM 497 CA HIS A 31 4.430 -7.498 4.424 1.00 0.00 C ATOM 498 C HIS A 31 3.150 -8.064 5.079 1.00 0.00 C ATOM 499 O HIS A 31 3.040 -9.270 5.355 1.00 0.00 O ATOM 500 CB HIS A 31 5.496 -7.084 5.417 1.00 0.00 C ATOM 501 CG HIS A 31 6.826 -6.852 4.765 1.00 0.00 C ATOM 502 ND1 HIS A 31 7.262 -7.514 3.635 1.00 0.00 N ATOM 503 CD2 HIS A 31 7.833 -5.990 5.077 1.00 0.00 C ATOM 504 CE1 HIS A 31 8.469 -7.057 3.328 1.00 0.00 C ATOM 505 NE2 HIS A 31 8.870 -6.129 4.172 1.00 0.00 N ATOM 0 H HIS A 31 4.500 -5.477 3.743 1.00 0.00 H new ATOM 0 HA HIS A 31 4.790 -8.360 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.180 -6.173 5.926 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.598 -7.856 6.179 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.746 -8.230 3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.823 -5.300 5.908 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.052 -7.404 2.488 1.00 0.00 H new ATOM 513 N ASP A 32 2.177 -7.197 5.278 1.00 0.00 N ATOM 514 CA ASP A 32 0.863 -7.562 5.795 1.00 0.00 C ATOM 515 C ASP A 32 0.209 -8.447 4.744 1.00 0.00 C ATOM 516 O ASP A 32 -0.459 -9.398 5.082 1.00 0.00 O ATOM 517 CB ASP A 32 0.045 -6.279 6.036 1.00 0.00 C ATOM 518 CG ASP A 32 -1.225 -6.497 6.827 1.00 0.00 C ATOM 519 OD1 ASP A 32 -2.036 -5.536 6.844 1.00 0.00 O ATOM 520 OD2 ASP A 32 -1.439 -7.557 7.438 1.00 0.00 O ATOM 0 H ASP A 32 2.274 -6.201 5.083 1.00 0.00 H new ATOM 0 HA ASP A 32 0.927 -8.097 6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.669 -5.557 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.211 -5.837 5.073 1.00 0.00 H new ATOM 525 N LEU A 33 0.418 -8.162 3.461 1.00 0.00 N ATOM 526 CA LEU A 33 -0.138 -9.023 2.421 1.00 0.00 C ATOM 527 C LEU A 33 0.492 -10.385 2.500 1.00 0.00 C ATOM 528 O LEU A 33 -0.241 -11.353 2.578 1.00 0.00 O ATOM 529 CB LEU A 33 0.060 -8.484 1.003 1.00 0.00 C ATOM 530 CG LEU A 33 -1.085 -7.638 0.433 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.584 -6.878 -0.794 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.270 -8.539 0.052 1.00 0.00 C ATOM 0 H LEU A 33 0.954 -7.363 3.122 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.211 -9.064 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.969 -7.883 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.226 -9.329 0.335 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.422 -6.927 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.394 -6.274 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.243 -6.229 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.243 -7.588 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.077 -7.927 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.951 -9.261 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.624 -9.069 0.937 1.00 0.00 H new ATOM 544 N GLN A 34 1.820 -10.512 2.496 1.00 0.00 N ATOM 545 CA GLN A 34 2.359 -11.897 2.563 1.00 0.00 C ATOM 546 C GLN A 34 1.869 -12.613 3.838 1.00 0.00 C ATOM 547 O GLN A 34 1.463 -13.805 3.788 1.00 0.00 O ATOM 548 CB GLN A 34 3.895 -12.017 2.468 1.00 0.00 C ATOM 549 CG GLN A 34 4.714 -10.794 2.826 1.00 0.00 C ATOM 550 CD GLN A 34 5.196 -9.977 1.629 1.00 0.00 C ATOM 551 OE1 GLN A 34 6.189 -9.246 1.743 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.518 -10.073 0.503 1.00 0.00 N ATOM 0 H GLN A 34 2.502 -9.755 2.452 1.00 0.00 H new ATOM 0 HA GLN A 34 1.967 -12.380 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.210 -12.835 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.148 -12.305 1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.117 -10.150 3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.581 -11.111 3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.705 -10.686 0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.806 -9.534 -0.314 1.00 0.00 H new ATOM 561 N GLU A 35 1.880 -11.913 4.972 1.00 0.00 N ATOM 562 CA GLU A 35 1.414 -12.530 6.215 1.00 0.00 C ATOM 563 C GLU A 35 -0.042 -12.966 6.100 1.00 0.00 C ATOM 564 O GLU A 35 -0.360 -14.112 6.402 1.00 0.00 O ATOM 565 CB GLU A 35 1.571 -11.588 7.412 1.00 0.00 C ATOM 566 CG GLU A 35 2.936 -11.693 8.091 1.00 0.00 C ATOM 567 CD GLU A 35 2.819 -11.950 9.597 1.00 0.00 C ATOM 568 OE1 GLU A 35 3.338 -11.127 10.382 1.00 0.00 O ATOM 569 OE2 GLU A 35 2.217 -12.985 9.998 1.00 0.00 O ATOM 0 H GLU A 35 2.196 -10.947 5.058 1.00 0.00 H new ATOM 0 HA GLU A 35 2.039 -13.407 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.417 -10.561 7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.792 -11.807 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.507 -12.499 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.494 -10.772 7.924 1.00 0.00 H new ATOM 576 N ARG A 36 -0.929 -12.081 5.659 1.00 0.00 N ATOM 577 CA ARG A 36 -2.352 -12.420 5.538 1.00 0.00 C ATOM 578 C ARG A 36 -2.575 -13.501 4.505 1.00 0.00 C ATOM 579 O ARG A 36 -3.444 -14.333 4.687 1.00 0.00 O ATOM 580 CB ARG A 36 -3.190 -11.205 5.148 1.00 0.00 C ATOM 581 CG ARG A 36 -3.340 -10.154 6.233 1.00 0.00 C ATOM 582 CD ARG A 36 -4.261 -9.062 5.727 1.00 0.00 C ATOM 583 NE ARG A 36 -4.188 -7.830 6.521 1.00 0.00 N ATOM 584 CZ ARG A 36 -5.085 -6.849 6.489 1.00 0.00 C ATOM 585 NH1 ARG A 36 -6.148 -6.893 5.727 1.00 0.00 N ATOM 586 NH2 ARG A 36 -4.900 -5.799 7.231 1.00 0.00 N ATOM 0 H ARG A 36 -0.695 -11.128 5.380 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.665 -12.777 6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.741 -10.739 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.183 -11.546 4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.747 -10.602 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.367 -9.737 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.009 -8.834 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.287 -9.430 5.732 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.389 -7.718 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.313 -7.702 5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.812 -6.119 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.075 -5.735 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.580 -5.038 7.217 1.00 0.00 H new ATOM 600 N LEU A 37 -1.799 -13.508 3.435 1.00 0.00 N ATOM 601 CA LEU A 37 -1.899 -14.560 2.423 1.00 0.00 C ATOM 602 C LEU A 37 -1.554 -15.876 3.081 1.00 0.00 C ATOM 603 O LEU A 37 -2.253 -16.884 2.902 1.00 0.00 O ATOM 604 CB LEU A 37 -0.920 -14.315 1.276 1.00 0.00 C ATOM 605 CG LEU A 37 -1.484 -13.710 -0.015 1.00 0.00 C ATOM 606 CD1 LEU A 37 -2.195 -12.366 0.179 1.00 0.00 C ATOM 607 CD2 LEU A 37 -0.325 -13.535 -0.966 1.00 0.00 C ATOM 0 H LEU A 37 -1.091 -12.800 3.239 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.911 -14.569 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.132 -13.656 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.450 -15.266 1.025 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.246 -14.388 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.564 -12.007 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.033 -12.493 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.495 -11.640 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.684 -13.105 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.414 -12.869 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.133 -14.504 -1.164 1.00 0.00 H new ATOM 619 N HIS A 38 -0.484 -15.887 3.865 1.00 0.00 N ATOM 620 CA HIS A 38 -0.132 -17.119 4.558 1.00 0.00 C ATOM 621 C HIS A 38 -1.183 -17.523 5.598 1.00 0.00 C ATOM 622 O HIS A 38 -1.411 -18.713 5.794 1.00 0.00 O ATOM 623 CB HIS A 38 1.265 -17.034 5.155 1.00 0.00 C ATOM 624 CG HIS A 38 2.338 -17.407 4.178 1.00 0.00 C ATOM 625 ND1 HIS A 38 2.623 -18.698 3.807 1.00 0.00 N ATOM 626 CD2 HIS A 38 3.194 -16.634 3.456 1.00 0.00 C ATOM 627 CE1 HIS A 38 3.609 -18.669 2.920 1.00 0.00 C ATOM 628 NE2 HIS A 38 3.996 -17.436 2.660 1.00 0.00 N ATOM 0 H HIS A 38 0.133 -15.092 4.033 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.120 -17.916 3.815 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.442 -16.019 5.512 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.325 -17.692 6.022 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.241 -15.556 3.497 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.042 -19.548 2.466 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.727 -17.137 2.014 1.00 0.00 H new ATOM 636 N LYS A 39 -1.855 -16.570 6.243 1.00 0.00 N ATOM 637 CA LYS A 39 -2.954 -16.931 7.165 1.00 0.00 C ATOM 638 C LYS A 39 -4.118 -17.501 6.361 1.00 0.00 C ATOM 639 O LYS A 39 -4.711 -18.502 6.743 1.00 0.00 O ATOM 640 CB LYS A 39 -3.486 -15.728 7.974 1.00 0.00 C ATOM 641 CG LYS A 39 -2.467 -14.959 8.822 1.00 0.00 C ATOM 642 CD LYS A 39 -1.684 -15.822 9.802 1.00 0.00 C ATOM 643 CE LYS A 39 -0.699 -14.934 10.564 1.00 0.00 C ATOM 644 NZ LYS A 39 0.195 -15.715 11.470 1.00 0.00 N ATOM 0 H LYS A 39 -1.673 -15.570 6.156 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.546 -17.658 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.946 -15.027 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.276 -16.086 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.764 -14.457 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.989 -14.181 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.364 -16.315 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.149 -16.608 9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.091 -14.377 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.254 -14.202 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.842 -15.067 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.380 -16.226 12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.747 -16.396 10.911 1.00 0.00 H new ATOM 658 N ALA A 40 -4.427 -16.863 5.240 1.00 0.00 N ATOM 659 CA ALA A 40 -5.516 -17.295 4.374 1.00 0.00 C ATOM 660 C ALA A 40 -5.219 -18.687 3.839 1.00 0.00 C ATOM 661 O ALA A 40 -6.116 -19.505 3.671 1.00 0.00 O ATOM 662 CB ALA A 40 -5.713 -16.298 3.220 1.00 0.00 C ATOM 0 H ALA A 40 -3.933 -16.035 4.906 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.441 -17.328 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.530 -16.636 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.952 -15.315 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.797 -16.236 2.633 1.00 0.00 H new ATOM 668 N GLN A 41 -3.960 -18.985 3.584 1.00 0.00 N ATOM 669 CA GLN A 41 -3.633 -20.341 3.198 1.00 0.00 C ATOM 670 C GLN A 41 -3.877 -21.273 4.401 1.00 0.00 C ATOM 671 O GLN A 41 -4.754 -22.145 4.354 1.00 0.00 O ATOM 672 CB GLN A 41 -2.171 -20.411 2.744 1.00 0.00 C ATOM 673 CG GLN A 41 -1.728 -21.790 2.296 1.00 0.00 C ATOM 674 CD GLN A 41 -0.330 -21.775 1.723 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.605 -21.266 2.327 1.00 0.00 O ATOM 676 NE2 GLN A 41 -0.184 -22.325 0.549 1.00 0.00 N ATOM 0 H GLN A 41 -3.175 -18.335 3.634 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.263 -20.658 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.022 -19.709 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.531 -20.084 3.563 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.766 -22.476 3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.423 -22.169 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.987 -22.739 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.734 -22.341 0.104 1.00 0.00 H new ATOM 685 N GLU A 42 -3.119 -21.066 5.472 1.00 0.00 N ATOM 686 CA GLU A 42 -3.118 -21.965 6.633 1.00 0.00 C ATOM 687 C GLU A 42 -4.503 -22.251 7.199 1.00 0.00 C ATOM 688 O GLU A 42 -4.790 -23.372 7.615 1.00 0.00 O ATOM 689 CB GLU A 42 -2.215 -21.381 7.730 1.00 0.00 C ATOM 690 CG GLU A 42 -1.852 -22.368 8.845 1.00 0.00 C ATOM 691 CD GLU A 42 -0.900 -23.466 8.371 1.00 0.00 C ATOM 692 OE1 GLU A 42 0.224 -23.135 7.932 1.00 0.00 O ATOM 693 OE2 GLU A 42 -1.271 -24.659 8.445 1.00 0.00 O ATOM 0 H GLU A 42 -2.486 -20.272 5.565 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.735 -22.923 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.296 -21.017 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.714 -20.519 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.392 -21.825 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.763 -22.824 9.232 1.00 0.00 H new ATOM 700 N GLU A 43 -5.374 -21.257 7.210 1.00 0.00 N ATOM 701 CA GLU A 43 -6.728 -21.468 7.695 1.00 0.00 C ATOM 702 C GLU A 43 -7.746 -21.762 6.584 1.00 0.00 C ATOM 703 O GLU A 43 -8.569 -22.672 6.726 1.00 0.00 O ATOM 704 CB GLU A 43 -7.175 -20.250 8.510 1.00 0.00 C ATOM 705 CG GLU A 43 -8.424 -20.513 9.345 1.00 0.00 C ATOM 706 CD GLU A 43 -8.784 -19.342 10.247 1.00 0.00 C ATOM 707 OE1 GLU A 43 -7.937 -18.930 11.071 1.00 0.00 O ATOM 708 OE2 GLU A 43 -9.924 -18.839 10.138 1.00 0.00 O ATOM 0 H GLU A 43 -5.173 -20.308 6.894 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.700 -22.360 8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.363 -19.944 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.367 -19.418 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.262 -20.726 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.267 -21.402 9.956 1.00 0.00 H new ATOM 715 N HIS A 44 -7.727 -20.987 5.502 1.00 0.00 N ATOM 716 CA HIS A 44 -8.815 -21.069 4.501 1.00 0.00 C ATOM 717 C HIS A 44 -8.534 -21.941 3.289 1.00 0.00 C ATOM 718 O HIS A 44 -9.440 -22.599 2.792 1.00 0.00 O ATOM 719 CB HIS A 44 -9.245 -19.670 4.036 1.00 0.00 C ATOM 720 CG HIS A 44 -9.397 -18.682 5.153 1.00 0.00 C ATOM 721 ND1 HIS A 44 -8.951 -17.402 5.262 1.00 0.00 N flip ATOM 722 CD2 HIS A 44 -10.058 -18.928 6.332 1.00 0.00 C flip ATOM 723 CE1 HIS A 44 -9.315 -16.872 6.482 1.00 0.00 C flip ATOM 724 NE2 HIS A 44 -9.979 -17.836 7.088 1.00 0.00 N flip ATOM 0 H HIS A 44 -6.996 -20.309 5.289 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.624 -21.565 5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.510 -19.291 3.326 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.192 -19.750 3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.556 -19.849 6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.102 -15.882 6.859 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.382 -17.755 8.021 1.00 0.00 H new ATOM 732 N ARG A 45 -7.283 -21.949 2.830 1.00 0.00 N ATOM 733 CA ARG A 45 -6.822 -22.791 1.692 1.00 0.00 C ATOM 734 C ARG A 45 -7.799 -22.923 0.508 1.00 0.00 C ATOM 735 O ARG A 45 -8.089 -24.027 0.046 1.00 0.00 O ATOM 736 CB ARG A 45 -6.378 -24.188 2.188 1.00 0.00 C ATOM 737 CG ARG A 45 -7.451 -25.007 2.916 1.00 0.00 C ATOM 738 CD ARG A 45 -6.875 -26.239 3.568 1.00 0.00 C ATOM 739 NE ARG A 45 -7.605 -26.515 4.817 1.00 0.00 N ATOM 740 CZ ARG A 45 -7.378 -25.905 5.977 1.00 0.00 C ATOM 741 NH1 ARG A 45 -6.449 -24.999 6.107 1.00 0.00 N ATOM 742 NH2 ARG A 45 -8.102 -26.209 7.017 1.00 0.00 N ATOM 0 H ARG A 45 -6.544 -21.372 3.231 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.973 -22.244 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.027 -24.763 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.527 -24.062 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.930 -24.386 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.226 -25.300 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.951 -27.091 2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.815 -26.092 3.777 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.337 -27.225 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.873 -24.741 5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.299 -24.549 7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.838 -26.911 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.933 -25.745 7.909 1.00 0.00 H new ATOM 756 N THR A 46 -8.273 -21.787 0.017 1.00 0.00 N ATOM 757 CA THR A 46 -9.154 -21.736 -1.156 1.00 0.00 C ATOM 758 C THR A 46 -8.536 -22.528 -2.318 1.00 0.00 C ATOM 759 O THR A 46 -7.315 -22.611 -2.423 1.00 0.00 O ATOM 760 CB THR A 46 -9.341 -20.262 -1.591 1.00 0.00 C ATOM 761 OG1 THR A 46 -9.566 -19.464 -0.427 1.00 0.00 O ATOM 762 CG2 THR A 46 -10.533 -20.089 -2.521 1.00 0.00 C ATOM 0 H THR A 46 -8.062 -20.872 0.415 1.00 0.00 H new ATOM 0 HA THR A 46 -10.117 -22.175 -0.896 1.00 0.00 H new ATOM 0 HB THR A 46 -8.441 -19.955 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.738 -19.001 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.627 -19.040 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.386 -20.692 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.441 -20.411 -2.012 1.00 0.00 H new ATOM 770 N VAL A 47 -9.365 -23.096 -3.190 1.00 0.00 N ATOM 771 CA VAL A 47 -8.892 -23.918 -4.321 1.00 0.00 C ATOM 772 C VAL A 47 -7.812 -23.246 -5.193 1.00 0.00 C ATOM 773 O VAL A 47 -6.999 -23.919 -5.828 1.00 0.00 O ATOM 774 CB VAL A 47 -10.113 -24.360 -5.200 1.00 0.00 C ATOM 775 CG1 VAL A 47 -10.718 -23.176 -5.980 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.740 -25.504 -6.152 1.00 0.00 C ATOM 0 H VAL A 47 -10.380 -23.006 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.404 -24.788 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.876 -24.729 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.561 -23.526 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.060 -22.415 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.961 -22.749 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.611 -25.783 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.939 -25.179 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.404 -26.364 -5.573 1.00 0.00 H new ATOM 786 N GLU A 48 -7.770 -21.923 -5.213 1.00 0.00 N ATOM 787 CA GLU A 48 -6.758 -21.202 -5.980 1.00 0.00 C ATOM 788 C GLU A 48 -5.417 -21.102 -5.227 1.00 0.00 C ATOM 789 O GLU A 48 -4.616 -20.215 -5.495 1.00 0.00 O ATOM 790 CB GLU A 48 -7.271 -19.805 -6.346 1.00 0.00 C ATOM 791 CG GLU A 48 -7.666 -18.947 -5.155 1.00 0.00 C ATOM 792 CD GLU A 48 -7.817 -17.492 -5.545 1.00 0.00 C ATOM 793 OE1 GLU A 48 -7.235 -16.632 -4.854 1.00 0.00 O ATOM 794 OE2 GLU A 48 -8.502 -17.205 -6.551 1.00 0.00 O ATOM 0 H GLU A 48 -8.423 -21.324 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.573 -21.770 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.498 -19.285 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.133 -19.909 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.604 -19.312 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.912 -19.039 -4.373 1.00 0.00 H new ATOM 801 N VAL A 49 -5.171 -22.021 -4.299 1.00 0.00 N ATOM 802 CA VAL A 49 -3.940 -22.046 -3.492 1.00 0.00 C ATOM 803 C VAL A 49 -2.666 -22.040 -4.354 1.00 0.00 C ATOM 804 O VAL A 49 -1.629 -21.520 -3.948 1.00 0.00 O ATOM 805 CB VAL A 49 -3.966 -23.267 -2.501 1.00 0.00 C ATOM 806 CG1 VAL A 49 -3.867 -24.613 -3.250 1.00 0.00 C ATOM 807 CG2 VAL A 49 -2.860 -23.151 -1.453 1.00 0.00 C ATOM 0 H VAL A 49 -5.819 -22.777 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.910 -21.125 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.927 -23.243 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.888 -25.432 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.709 -24.710 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.934 -24.648 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.903 -24.009 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.890 -23.127 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.997 -22.235 -0.879 1.00 0.00 H new ATOM 817 N GLU A 50 -2.756 -22.586 -5.558 1.00 0.00 N ATOM 818 CA GLU A 50 -1.632 -22.603 -6.502 1.00 0.00 C ATOM 819 C GLU A 50 -1.268 -21.186 -6.958 1.00 0.00 C ATOM 820 O GLU A 50 -0.169 -20.932 -7.442 1.00 0.00 O ATOM 821 CB GLU A 50 -2.031 -23.393 -7.750 1.00 0.00 C ATOM 822 CG GLU A 50 -2.523 -24.809 -7.495 1.00 0.00 C ATOM 823 CD GLU A 50 -3.089 -25.425 -8.763 1.00 0.00 C ATOM 824 OE1 GLU A 50 -4.047 -24.835 -9.323 1.00 0.00 O ATOM 825 OE2 GLU A 50 -2.587 -26.474 -9.209 1.00 0.00 O ATOM 0 H GLU A 50 -3.603 -23.029 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.780 -23.056 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.814 -22.843 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.172 -23.440 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.702 -25.422 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.288 -24.798 -6.719 1.00 0.00 H new ATOM 832 N LYS A 51 -2.224 -20.278 -6.816 1.00 0.00 N ATOM 833 CA LYS A 51 -2.101 -18.892 -7.264 1.00 0.00 C ATOM 834 C LYS A 51 -2.161 -17.909 -6.095 1.00 0.00 C ATOM 835 O LYS A 51 -1.878 -16.733 -6.278 1.00 0.00 O ATOM 836 CB LYS A 51 -3.243 -18.553 -8.237 1.00 0.00 C ATOM 837 CG LYS A 51 -3.387 -19.515 -9.429 1.00 0.00 C ATOM 838 CD LYS A 51 -4.499 -20.557 -9.196 1.00 0.00 C ATOM 839 CE LYS A 51 -4.591 -21.539 -10.362 1.00 0.00 C ATOM 840 NZ LYS A 51 -5.574 -22.647 -10.091 1.00 0.00 N ATOM 0 H LYS A 51 -3.123 -20.484 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.132 -18.797 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.181 -18.542 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.087 -17.544 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.607 -18.945 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.440 -20.027 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.302 -21.102 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.455 -20.050 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.888 -21.004 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.607 -21.967 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.952 -23.004 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.095 -23.420 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.355 -22.284 -9.508 1.00 0.00 H new ATOM 854 N VAL A 52 -2.537 -18.391 -4.912 1.00 0.00 N ATOM 855 CA VAL A 52 -2.644 -17.530 -3.720 1.00 0.00 C ATOM 856 C VAL A 52 -1.328 -16.821 -3.419 1.00 0.00 C ATOM 857 O VAL A 52 -1.335 -15.661 -3.052 1.00 0.00 O ATOM 858 CB VAL A 52 -3.106 -18.347 -2.447 1.00 0.00 C ATOM 859 CG1 VAL A 52 -2.771 -17.617 -1.124 1.00 0.00 C ATOM 860 CG2 VAL A 52 -4.616 -18.587 -2.494 1.00 0.00 C ATOM 0 H VAL A 52 -2.774 -19.369 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.402 -16.781 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.562 -19.291 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.109 -18.219 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.694 -17.466 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.274 -16.650 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.922 -19.150 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.136 -17.629 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.867 -19.153 -3.391 1.00 0.00 H new ATOM 870 N HIS A 53 -0.196 -17.498 -3.575 1.00 0.00 N ATOM 871 CA HIS A 53 1.089 -16.869 -3.247 1.00 0.00 C ATOM 872 C HIS A 53 2.263 -17.255 -4.177 1.00 0.00 C ATOM 873 O HIS A 53 2.223 -16.985 -5.388 1.00 0.00 O ATOM 874 CB HIS A 53 1.405 -17.076 -1.741 1.00 0.00 C ATOM 875 CG HIS A 53 1.634 -18.503 -1.329 1.00 0.00 C ATOM 876 ND1 HIS A 53 2.218 -18.865 -0.143 1.00 0.00 N ATOM 877 CD2 HIS A 53 1.369 -19.683 -1.966 1.00 0.00 C ATOM 878 CE1 HIS A 53 2.299 -20.189 -0.104 1.00 0.00 C ATOM 879 NE2 HIS A 53 1.803 -20.740 -1.194 1.00 0.00 N ATOM 0 H HIS A 53 -0.134 -18.457 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 53 0.974 -15.802 -3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.291 -16.494 -1.488 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.580 -16.672 -1.154 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.891 -19.774 -2.930 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.720 -20.747 0.720 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.751 -21.734 -1.418 1.00 0.00 H new ATOM 887 N LEU A 54 3.298 -17.862 -3.599 1.00 0.00 N ATOM 888 CA LEU A 54 4.533 -18.248 -4.284 1.00 0.00 C ATOM 889 C LEU A 54 5.270 -16.996 -4.746 1.00 0.00 C ATOM 890 O LEU A 54 4.740 -15.880 -4.703 1.00 0.00 O ATOM 891 CB LEU A 54 4.274 -19.212 -5.465 1.00 0.00 C ATOM 892 CG LEU A 54 3.457 -20.480 -5.149 1.00 0.00 C ATOM 893 CD1 LEU A 54 3.178 -21.237 -6.443 1.00 0.00 C ATOM 894 CD2 LEU A 54 4.191 -21.397 -4.163 1.00 0.00 C ATOM 0 H LEU A 54 3.301 -18.107 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 54 5.157 -18.794 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.757 -18.660 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.237 -19.519 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 54 2.521 -20.172 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.600 -22.134 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.613 -20.600 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.122 -21.519 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.583 -22.280 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.146 -21.702 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.367 -20.861 -3.230 1.00 0.00 H new ATOM 906 N GLU A 55 6.503 -17.179 -5.190 1.00 0.00 N ATOM 907 CA GLU A 55 7.319 -16.050 -5.618 1.00 0.00 C ATOM 908 C GLU A 55 6.578 -15.204 -6.640 1.00 0.00 C ATOM 909 O GLU A 55 6.680 -13.991 -6.629 1.00 0.00 O ATOM 910 CB GLU A 55 8.622 -16.525 -6.253 1.00 0.00 C ATOM 911 CG GLU A 55 9.588 -17.218 -5.312 1.00 0.00 C ATOM 912 CD GLU A 55 10.984 -17.318 -5.923 1.00 0.00 C ATOM 913 OE1 GLU A 55 11.089 -17.444 -7.165 1.00 0.00 O ATOM 914 OE2 GLU A 55 11.974 -17.243 -5.173 1.00 0.00 O ATOM 0 H GLU A 55 6.959 -18.088 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 55 7.535 -15.458 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.382 -17.208 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.126 -15.665 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.639 -16.670 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.218 -18.217 -5.079 1.00 0.00 H new ATOM 921 N LYS A 56 5.823 -15.854 -7.517 1.00 0.00 N ATOM 922 CA LYS A 56 5.103 -15.144 -8.565 1.00 0.00 C ATOM 923 C LYS A 56 4.069 -14.159 -8.011 1.00 0.00 C ATOM 924 O LYS A 56 4.134 -12.968 -8.331 1.00 0.00 O ATOM 925 CB LYS A 56 4.442 -16.167 -9.506 1.00 0.00 C ATOM 926 CG LYS A 56 4.061 -15.628 -10.891 1.00 0.00 C ATOM 927 CD LYS A 56 2.708 -14.918 -10.904 1.00 0.00 C ATOM 928 CE LYS A 56 2.345 -14.491 -12.318 1.00 0.00 C ATOM 929 NZ LYS A 56 1.071 -13.702 -12.330 1.00 0.00 N ATOM 0 H LYS A 56 5.694 -16.866 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 56 5.823 -14.543 -9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.121 -17.010 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.544 -16.553 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.832 -14.936 -11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.039 -16.453 -11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.939 -15.581 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.742 -14.045 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.152 -13.892 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.238 -15.372 -12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.755 -13.568 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.340 -14.216 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.233 -12.774 -11.889 1.00 0.00 H new ATOM 943 N LYS A 57 3.125 -14.605 -7.184 1.00 0.00 N ATOM 944 CA LYS A 57 2.100 -13.663 -6.737 1.00 0.00 C ATOM 945 C LYS A 57 2.660 -12.740 -5.680 1.00 0.00 C ATOM 946 O LYS A 57 2.265 -11.589 -5.617 1.00 0.00 O ATOM 947 CB LYS A 57 0.825 -14.358 -6.249 1.00 0.00 C ATOM 948 CG LYS A 57 -0.406 -13.440 -6.275 1.00 0.00 C ATOM 949 CD LYS A 57 -0.716 -12.851 -4.904 1.00 0.00 C ATOM 950 CE LYS A 57 -1.799 -11.802 -4.995 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.199 -11.330 -3.631 1.00 0.00 N ATOM 0 H LYS A 57 3.047 -15.557 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 57 1.809 -13.070 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.633 -15.232 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.981 -14.719 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.239 -12.631 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.269 -14.003 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.030 -13.645 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.187 -12.410 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.445 -10.958 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.667 -12.213 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.547 -10.352 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.952 -11.943 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.376 -11.367 -2.996 1.00 0.00 H new ATOM 965 N LEU A 58 3.593 -13.213 -4.864 1.00 0.00 N ATOM 966 CA LEU A 58 4.177 -12.322 -3.858 1.00 0.00 C ATOM 967 C LEU A 58 4.890 -11.156 -4.562 1.00 0.00 C ATOM 968 O LEU A 58 4.721 -9.985 -4.196 1.00 0.00 O ATOM 969 CB LEU A 58 5.144 -13.080 -2.940 1.00 0.00 C ATOM 970 CG LEU A 58 4.503 -14.152 -2.031 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.600 -14.891 -1.262 1.00 0.00 C ATOM 972 CD2 LEU A 58 3.511 -13.552 -1.063 1.00 0.00 C ATOM 0 H LEU A 58 3.953 -14.167 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 58 3.378 -11.927 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.902 -13.561 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.660 -12.356 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 58 3.958 -14.849 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.148 -15.648 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.278 -15.371 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.156 -14.181 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.084 -14.341 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.017 -12.825 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.715 -13.056 -1.618 1.00 0.00 H new ATOM 984 N ARG A 59 5.678 -11.456 -5.588 1.00 0.00 N ATOM 985 CA ARG A 59 6.361 -10.386 -6.313 1.00 0.00 C ATOM 986 C ARG A 59 5.340 -9.504 -7.006 1.00 0.00 C ATOM 987 O ARG A 59 5.499 -8.296 -6.996 1.00 0.00 O ATOM 988 CB ARG A 59 7.382 -10.933 -7.312 1.00 0.00 C ATOM 989 CG ARG A 59 8.640 -11.461 -6.622 1.00 0.00 C ATOM 990 CD ARG A 59 9.520 -12.276 -7.558 1.00 0.00 C ATOM 991 NE ARG A 59 10.631 -12.887 -6.806 1.00 0.00 N ATOM 992 CZ ARG A 59 11.262 -14.010 -7.135 1.00 0.00 C ATOM 993 NH1 ARG A 59 10.969 -14.693 -8.210 1.00 0.00 N ATOM 994 NH2 ARG A 59 12.192 -14.464 -6.345 1.00 0.00 N ATOM 0 H ARG A 59 5.858 -12.400 -5.931 1.00 0.00 H new ATOM 0 HA ARG A 59 6.917 -9.788 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.925 -11.734 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.658 -10.146 -8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.214 -10.622 -6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.352 -12.078 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.928 -13.053 -8.042 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.914 -11.637 -8.348 1.00 0.00 H new ATOM 0 HE ARG A 59 10.942 -12.407 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.230 -14.369 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.479 -15.550 -8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.426 -13.960 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.687 -15.324 -6.581 1.00 0.00 H new ATOM 1008 N ASP A 60 4.299 -10.081 -7.587 1.00 0.00 N ATOM 1009 CA ASP A 60 3.272 -9.264 -8.250 1.00 0.00 C ATOM 1010 C ASP A 60 2.581 -8.297 -7.283 1.00 0.00 C ATOM 1011 O ASP A 60 2.439 -7.107 -7.585 1.00 0.00 O ATOM 1012 CB ASP A 60 2.186 -10.139 -8.890 1.00 0.00 C ATOM 1013 CG ASP A 60 2.644 -10.811 -10.170 1.00 0.00 C ATOM 1014 OD1 ASP A 60 1.851 -11.614 -10.715 1.00 0.00 O ATOM 1015 OD2 ASP A 60 3.769 -10.551 -10.649 1.00 0.00 O ATOM 0 H ASP A 60 4.137 -11.088 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 60 3.801 -8.695 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.875 -10.902 -8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.311 -9.525 -9.102 1.00 0.00 H new ATOM 1020 N GLU A 61 2.140 -8.794 -6.133 1.00 0.00 N ATOM 1021 CA GLU A 61 1.397 -7.958 -5.185 1.00 0.00 C ATOM 1022 C GLU A 61 2.296 -6.849 -4.633 1.00 0.00 C ATOM 1023 O GLU A 61 1.904 -5.661 -4.628 1.00 0.00 O ATOM 1024 CB GLU A 61 0.759 -8.809 -4.058 1.00 0.00 C ATOM 1025 CG GLU A 61 1.739 -9.329 -2.992 1.00 0.00 C ATOM 1026 CD GLU A 61 1.135 -10.265 -1.983 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.883 -10.702 -1.071 1.00 0.00 O ATOM 1028 OE2 GLU A 61 -0.066 -10.581 -2.088 1.00 0.00 O ATOM 0 H GLU A 61 2.279 -9.759 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 61 0.574 -7.482 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.007 -8.212 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.254 -9.662 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.562 -9.839 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.167 -8.476 -2.465 1.00 0.00 H new ATOM 1035 N ILE A 62 3.504 -7.191 -4.184 1.00 0.00 N ATOM 1036 CA ILE A 62 4.364 -6.156 -3.652 1.00 0.00 C ATOM 1037 C ILE A 62 4.777 -5.193 -4.754 1.00 0.00 C ATOM 1038 O ILE A 62 5.017 -4.037 -4.473 1.00 0.00 O ATOM 1039 CB ILE A 62 5.579 -6.708 -2.850 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.657 -7.317 -3.762 1.00 0.00 C ATOM 1041 CG2 ILE A 62 5.082 -7.716 -1.785 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.891 -7.769 -2.990 1.00 0.00 C ATOM 0 H ILE A 62 3.889 -8.135 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 62 3.781 -5.600 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 62 6.062 -5.873 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.236 -8.168 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.951 -6.582 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.933 -8.102 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.395 -7.215 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.568 -8.541 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.619 -8.191 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.332 -6.915 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.606 -8.525 -2.259 1.00 0.00 H new ATOM 1054 N ASN A 63 4.847 -5.633 -6.004 1.00 0.00 N ATOM 1055 CA ASN A 63 5.183 -4.713 -7.092 1.00 0.00 C ATOM 1056 C ASN A 63 4.047 -3.725 -7.316 1.00 0.00 C ATOM 1057 O ASN A 63 4.301 -2.550 -7.535 1.00 0.00 O ATOM 1058 CB ASN A 63 5.490 -5.448 -8.399 1.00 0.00 C ATOM 1059 CG ASN A 63 6.875 -6.062 -8.414 1.00 0.00 C ATOM 1060 OD1 ASN A 63 7.756 -5.691 -7.631 1.00 0.00 O ATOM 1061 ND2 ASN A 63 7.084 -6.992 -9.307 1.00 0.00 N ATOM 0 H ASN A 63 4.681 -6.598 -6.290 1.00 0.00 H new ATOM 0 HA ASN A 63 6.084 -4.179 -6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.748 -6.232 -8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.397 -4.752 -9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.999 -7.438 -9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.332 -7.272 -9.937 1.00 0.00 H new ATOM 1068 N LEU A 64 2.806 -4.188 -7.251 1.00 0.00 N ATOM 1069 CA LEU A 64 1.656 -3.297 -7.430 1.00 0.00 C ATOM 1070 C LEU A 64 1.586 -2.307 -6.265 1.00 0.00 C ATOM 1071 O LEU A 64 1.436 -1.084 -6.455 1.00 0.00 O ATOM 1072 CB LEU A 64 0.368 -4.131 -7.522 1.00 0.00 C ATOM 1073 CG LEU A 64 -0.915 -3.380 -7.926 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.837 -4.347 -8.669 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -1.660 -2.791 -6.717 1.00 0.00 C ATOM 0 H LEU A 64 2.566 -5.164 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 64 1.767 -2.731 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.533 -4.934 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.197 -4.601 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.626 -2.545 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.750 -3.828 -8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.331 -4.720 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.088 -5.184 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.556 -2.273 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.943 -3.595 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.010 -2.087 -6.197 1.00 0.00 H new ATOM 1087 N ALA A 65 1.713 -2.822 -5.051 1.00 0.00 N ATOM 1088 CA ALA A 65 1.679 -1.949 -3.884 1.00 0.00 C ATOM 1089 C ALA A 65 2.847 -0.936 -3.943 1.00 0.00 C ATOM 1090 O ALA A 65 2.675 0.240 -3.622 1.00 0.00 O ATOM 1091 CB ALA A 65 1.719 -2.778 -2.620 1.00 0.00 C ATOM 0 H ALA A 65 1.838 -3.814 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 65 0.749 -1.380 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.693 -2.119 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.857 -3.445 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.635 -3.368 -2.601 1.00 0.00 H new ATOM 1097 N LYS A 66 4.024 -1.380 -4.379 1.00 0.00 N ATOM 1098 CA LYS A 66 5.172 -0.473 -4.549 1.00 0.00 C ATOM 1099 C LYS A 66 4.918 0.540 -5.653 1.00 0.00 C ATOM 1100 O LYS A 66 5.450 1.642 -5.601 1.00 0.00 O ATOM 1101 CB LYS A 66 6.454 -1.230 -4.893 1.00 0.00 C ATOM 1102 CG LYS A 66 7.190 -1.812 -3.674 1.00 0.00 C ATOM 1103 CD LYS A 66 8.471 -2.564 -4.078 1.00 0.00 C ATOM 1104 CE LYS A 66 8.144 -3.823 -4.879 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.331 -4.608 -5.325 1.00 0.00 N ATOM 0 H LYS A 66 4.214 -2.353 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 66 5.295 0.035 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.210 -2.042 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.128 -0.558 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.445 -1.006 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.525 -2.490 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.109 -1.908 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.034 -2.834 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.507 -4.467 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.564 -3.537 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.094 -5.135 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.122 -3.961 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.606 -5.276 -4.577 1.00 0.00 H new ATOM 1119 N GLN A 67 4.114 0.190 -6.645 1.00 0.00 N ATOM 1120 CA GLN A 67 3.794 1.135 -7.702 1.00 0.00 C ATOM 1121 C GLN A 67 2.954 2.245 -7.094 1.00 0.00 C ATOM 1122 O GLN A 67 3.256 3.428 -7.286 1.00 0.00 O ATOM 1123 CB GLN A 67 3.065 0.465 -8.874 1.00 0.00 C ATOM 1124 CG GLN A 67 2.849 1.397 -10.061 1.00 0.00 C ATOM 1125 CD GLN A 67 4.147 1.958 -10.598 1.00 0.00 C ATOM 1126 OE1 GLN A 67 5.006 1.230 -11.073 1.00 0.00 O ATOM 1127 NE2 GLN A 67 4.300 3.254 -10.517 1.00 0.00 N ATOM 0 H GLN A 67 3.677 -0.727 -6.740 1.00 0.00 H new ATOM 0 HA GLN A 67 4.716 1.541 -8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.638 -0.402 -9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.099 0.097 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.334 0.856 -10.855 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.198 2.218 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.561 3.831 -10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.158 3.688 -10.857 1.00 0.00 H new ATOM 1136 N GLU A 68 1.919 1.922 -6.333 1.00 0.00 N ATOM 1137 CA GLU A 68 1.192 3.020 -5.708 1.00 0.00 C ATOM 1138 C GLU A 68 1.999 3.659 -4.548 1.00 0.00 C ATOM 1139 O GLU A 68 1.787 4.820 -4.187 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.204 2.574 -5.342 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.938 1.953 -6.568 1.00 0.00 C ATOM 1142 CD GLU A 68 -0.816 2.801 -7.835 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -0.253 2.305 -8.835 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.269 3.962 -7.832 1.00 0.00 O ATOM 0 H GLU A 68 1.580 0.980 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 68 1.071 3.832 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.155 1.842 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.773 3.424 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.532 0.960 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.993 1.824 -6.325 1.00 0.00 H new ATOM 1151 N ALA A 69 2.977 2.947 -3.998 1.00 0.00 N ATOM 1152 CA ALA A 69 3.906 3.576 -3.046 1.00 0.00 C ATOM 1153 C ALA A 69 4.738 4.650 -3.780 1.00 0.00 C ATOM 1154 O ALA A 69 5.114 5.678 -3.195 1.00 0.00 O ATOM 1155 CB ALA A 69 4.818 2.538 -2.391 1.00 0.00 C ATOM 0 H ALA A 69 3.151 1.959 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 69 3.328 4.047 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.492 3.035 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.212 1.809 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.401 2.029 -3.159 1.00 0.00 H new ATOM 1161 N GLN A 70 5.010 4.436 -5.063 1.00 0.00 N ATOM 1162 CA GLN A 70 5.683 5.456 -5.862 1.00 0.00 C ATOM 1163 C GLN A 70 4.756 6.657 -5.922 1.00 0.00 C ATOM 1164 O GLN A 70 5.221 7.780 -5.897 1.00 0.00 O ATOM 1165 CB GLN A 70 6.013 4.992 -7.288 1.00 0.00 C ATOM 1166 CG GLN A 70 6.805 6.036 -8.078 1.00 0.00 C ATOM 1167 CD GLN A 70 7.026 5.640 -9.515 1.00 0.00 C ATOM 1168 OE1 GLN A 70 7.846 4.789 -9.809 1.00 0.00 O ATOM 1169 NE2 GLN A 70 6.312 6.263 -10.413 1.00 0.00 N ATOM 0 H GLN A 70 4.779 3.580 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 70 6.638 5.690 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.586 4.066 -7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.087 4.768 -7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.275 6.988 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.770 6.193 -7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.635 6.970 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.431 6.043 -11.402 1.00 0.00 H new ATOM 1178 N ARG A 71 3.448 6.439 -5.976 1.00 0.00 N ATOM 1179 CA ARG A 71 2.522 7.580 -5.958 1.00 0.00 C ATOM 1180 C ARG A 71 2.577 8.287 -4.596 1.00 0.00 C ATOM 1181 O ARG A 71 2.502 9.499 -4.548 1.00 0.00 O ATOM 1182 CB ARG A 71 1.086 7.172 -6.310 1.00 0.00 C ATOM 1183 CG ARG A 71 0.949 6.377 -7.617 1.00 0.00 C ATOM 1184 CD ARG A 71 1.399 7.123 -8.884 1.00 0.00 C ATOM 1185 NE ARG A 71 0.490 8.217 -9.268 1.00 0.00 N ATOM 1186 CZ ARG A 71 -0.653 8.072 -9.934 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -1.129 6.899 -10.274 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -1.338 9.131 -10.258 1.00 0.00 N ATOM 0 H ARG A 71 3.009 5.520 -6.031 1.00 0.00 H new ATOM 0 HA ARG A 71 2.846 8.277 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.681 6.575 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.474 8.071 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.530 5.459 -7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.094 6.083 -7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.398 7.529 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.472 6.414 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 71 0.759 9.164 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.619 6.051 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.010 6.834 -10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.997 10.057 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.216 9.034 -10.769 1.00 0.00 H new ATOM 1202 N LEU A 72 2.756 7.563 -3.491 1.00 0.00 N ATOM 1203 CA LEU A 72 2.969 8.231 -2.187 1.00 0.00 C ATOM 1204 C LEU A 72 4.265 9.053 -2.234 1.00 0.00 C ATOM 1205 O LEU A 72 4.343 10.158 -1.690 1.00 0.00 O ATOM 1206 CB LEU A 72 3.059 7.231 -1.028 1.00 0.00 C ATOM 1207 CG LEU A 72 1.788 6.759 -0.291 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.587 7.686 -0.409 1.00 0.00 C ATOM 1209 CD2 LEU A 72 1.420 5.358 -0.725 1.00 0.00 C ATOM 0 H LEU A 72 2.760 6.543 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 72 2.108 8.875 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.556 6.340 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.720 7.667 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 72 2.050 6.773 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.253 7.265 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.839 8.663 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.313 7.795 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.522 5.038 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.233 5.347 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.239 4.678 -0.492 1.00 0.00 H new ATOM 1221 N LYS A 73 5.288 8.529 -2.894 1.00 0.00 N ATOM 1222 CA LYS A 73 6.542 9.280 -3.061 1.00 0.00 C ATOM 1223 C LYS A 73 6.306 10.518 -3.949 1.00 0.00 C ATOM 1224 O LYS A 73 6.827 11.593 -3.687 1.00 0.00 O ATOM 1225 CB LYS A 73 7.607 8.373 -3.684 1.00 0.00 C ATOM 1226 CG LYS A 73 8.983 9.025 -3.854 1.00 0.00 C ATOM 1227 CD LYS A 73 9.732 8.422 -5.041 1.00 0.00 C ATOM 1228 CE LYS A 73 9.164 8.943 -6.373 1.00 0.00 C ATOM 1229 NZ LYS A 73 9.838 8.309 -7.557 1.00 0.00 N ATOM 0 H LYS A 73 5.285 7.602 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 73 6.890 9.617 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.716 7.484 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.255 8.039 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.865 10.099 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.568 8.891 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.791 8.670 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.656 7.335 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.093 8.742 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.287 10.025 -6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.427 8.687 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.856 8.522 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.699 7.279 -7.525 1.00 0.00 H new ATOM 1243 N GLU A 74 5.511 10.373 -4.993 1.00 0.00 N ATOM 1244 CA GLU A 74 5.209 11.498 -5.876 1.00 0.00 C ATOM 1245 C GLU A 74 4.394 12.543 -5.129 1.00 0.00 C ATOM 1246 O GLU A 74 4.563 13.729 -5.365 1.00 0.00 O ATOM 1247 CB GLU A 74 4.476 11.024 -7.129 1.00 0.00 C ATOM 1248 CG GLU A 74 5.411 10.365 -8.133 1.00 0.00 C ATOM 1249 CD GLU A 74 4.692 9.878 -9.378 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.066 10.707 -10.078 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.769 8.657 -9.664 1.00 0.00 O ATOM 0 H GLU A 74 5.062 9.495 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 74 6.147 11.954 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.696 10.318 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.981 11.873 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.186 11.076 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.913 9.523 -7.656 1.00 0.00 H new ATOM 1258 N LEU A 75 3.540 12.111 -4.210 1.00 0.00 N ATOM 1259 CA LEU A 75 2.802 13.033 -3.350 1.00 0.00 C ATOM 1260 C LEU A 75 3.776 13.791 -2.469 1.00 0.00 C ATOM 1261 O LEU A 75 3.659 15.009 -2.291 1.00 0.00 O ATOM 1262 CB LEU A 75 1.835 12.267 -2.437 1.00 0.00 C ATOM 1263 CG LEU A 75 0.497 11.861 -3.051 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -0.297 10.953 -2.125 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -0.295 13.104 -3.353 1.00 0.00 C ATOM 0 H LEU A 75 3.340 11.126 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 75 2.241 13.717 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.338 11.365 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.635 12.881 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 75 0.692 11.302 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.242 10.687 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.276 10.048 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.495 11.473 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.253 12.827 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.465 13.660 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.259 13.727 -4.055 1.00 0.00 H new ATOM 1277 N ARG A 76 4.743 13.062 -1.926 1.00 0.00 N ATOM 1278 CA ARG A 76 5.759 13.634 -1.035 1.00 0.00 C ATOM 1279 C ARG A 76 6.553 14.743 -1.709 1.00 0.00 C ATOM 1280 O ARG A 76 6.866 15.755 -1.093 1.00 0.00 O ATOM 1281 CB ARG A 76 6.692 12.520 -0.573 1.00 0.00 C ATOM 1282 CG ARG A 76 7.643 12.902 0.520 1.00 0.00 C ATOM 1283 CD ARG A 76 8.239 11.636 1.082 1.00 0.00 C ATOM 1284 NE ARG A 76 9.186 11.913 2.171 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.632 11.014 3.040 1.00 0.00 C ATOM 1286 NH1 ARG A 76 9.251 9.760 3.010 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.475 11.388 3.963 1.00 0.00 N ATOM 0 H ARG A 76 4.850 12.060 -2.087 1.00 0.00 H new ATOM 0 HA ARG A 76 5.254 14.082 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.088 11.679 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.268 12.171 -1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.427 13.553 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.123 13.458 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.441 10.991 1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.749 11.091 0.288 1.00 0.00 H new ATOM 0 HE ARG A 76 9.527 12.870 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.589 9.445 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.617 9.099 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.782 12.359 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.827 10.709 4.638 1.00 0.00 H new ATOM 1301 N GLU A 77 6.853 14.555 -2.982 1.00 0.00 N ATOM 1302 CA GLU A 77 7.579 15.556 -3.766 1.00 0.00 C ATOM 1303 C GLU A 77 6.593 16.408 -4.592 1.00 0.00 C ATOM 1304 O GLU A 77 6.980 17.095 -5.539 1.00 0.00 O ATOM 1305 CB GLU A 77 8.591 14.844 -4.683 1.00 0.00 C ATOM 1306 CG GLU A 77 10.019 14.823 -4.126 1.00 0.00 C ATOM 1307 CD GLU A 77 10.211 13.830 -2.977 1.00 0.00 C ATOM 1308 OE1 GLU A 77 10.088 12.605 -3.210 1.00 0.00 O ATOM 1309 OE2 GLU A 77 10.501 14.277 -1.843 1.00 0.00 O ATOM 0 H GLU A 77 6.606 13.714 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 77 8.118 16.225 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.260 13.819 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.597 15.337 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.711 14.574 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.280 15.823 -3.779 1.00 0.00 H new ATOM 1316 N GLY A 78 5.314 16.339 -4.244 1.00 0.00 N ATOM 1317 CA GLY A 78 4.275 16.960 -5.053 1.00 0.00 C ATOM 1318 C GLY A 78 3.826 18.390 -4.800 1.00 0.00 C ATOM 1319 O GLY A 78 4.313 19.327 -5.433 1.00 0.00 O ATOM 0 H GLY A 78 4.973 15.861 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.607 16.910 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.389 16.330 -4.971 1.00 0.00 H new ATOM 1323 N THR A 79 2.847 18.568 -3.920 1.00 0.00 N ATOM 1324 CA THR A 79 2.196 19.875 -3.762 1.00 0.00 C ATOM 1325 C THR A 79 1.452 19.999 -2.424 1.00 0.00 C ATOM 1326 O THR A 79 1.197 19.003 -1.754 1.00 0.00 O ATOM 1327 CB THR A 79 1.184 20.083 -4.950 1.00 0.00 C ATOM 1328 OG1 THR A 79 0.471 21.316 -4.801 1.00 0.00 O ATOM 1329 CG2 THR A 79 0.177 18.944 -5.030 1.00 0.00 C ATOM 0 H THR A 79 2.486 17.836 -3.308 1.00 0.00 H new ATOM 0 HA THR A 79 2.971 20.642 -3.772 1.00 0.00 H new ATOM 0 HB THR A 79 1.772 20.105 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.490 21.133 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.506 19.120 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.704 18.003 -5.187 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.389 18.893 -4.100 1.00 0.00 H new ATOM 1337 N GLU A 80 1.101 21.230 -2.058 1.00 0.00 N ATOM 1338 CA GLU A 80 0.351 21.521 -0.827 1.00 0.00 C ATOM 1339 C GLU A 80 -1.020 20.833 -0.866 1.00 0.00 C ATOM 1340 O GLU A 80 -1.525 20.360 0.152 1.00 0.00 O ATOM 1341 CB GLU A 80 0.149 23.048 -0.703 1.00 0.00 C ATOM 1342 CG GLU A 80 -0.508 23.487 0.614 1.00 0.00 C ATOM 1343 CD GLU A 80 -0.852 24.981 0.679 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.256 25.446 1.779 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -0.736 25.690 -0.343 1.00 0.00 O ATOM 0 H GLU A 80 1.327 22.060 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 80 0.913 21.147 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.117 23.541 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.465 23.392 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.420 22.909 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.161 23.244 1.439 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.611 20.801 -2.054 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.925 20.204 -2.290 1.00 0.00 C ATOM 1354 C ASN A 81 -3.107 20.163 -3.799 1.00 0.00 C ATOM 1355 O ASN A 81 -2.340 20.808 -4.525 1.00 0.00 O ATOM 1356 CB ASN A 81 -4.030 21.081 -1.686 1.00 0.00 C ATOM 1357 CG ASN A 81 -3.966 22.503 -2.178 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -4.198 22.785 -3.345 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -3.641 23.406 -1.294 1.00 0.00 N ATOM 0 H ASN A 81 -1.187 21.194 -2.894 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.986 19.215 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.003 20.657 -1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.945 21.071 -0.599 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.573 24.386 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.455 23.132 -0.329 1.00 0.00 H new ATOM 1366 N GLU A 82 -4.106 19.440 -4.278 1.00 0.00 N ATOM 1367 CA GLU A 82 -4.391 19.389 -5.708 1.00 0.00 C ATOM 1368 C GLU A 82 -5.127 20.642 -6.247 1.00 0.00 C ATOM 1369 O GLU A 82 -6.237 20.560 -6.767 1.00 0.00 O ATOM 1370 CB GLU A 82 -5.185 18.123 -6.049 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.098 17.764 -7.523 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.043 16.671 -7.919 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -5.748 15.500 -7.625 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -7.076 16.982 -8.541 1.00 0.00 O ATOM 0 H GLU A 82 -4.734 18.880 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.422 19.368 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.811 17.291 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.230 18.268 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.308 18.652 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.079 17.457 -7.756 1.00 0.00 H new ATOM 1381 N ARG A 83 -4.502 21.809 -6.149 1.00 0.00 N ATOM 1382 CA ARG A 83 -5.029 23.011 -6.818 1.00 0.00 C ATOM 1383 C ARG A 83 -3.869 23.659 -7.556 1.00 0.00 C ATOM 1384 O ARG A 83 -2.729 23.212 -7.426 1.00 0.00 O ATOM 1385 CB ARG A 83 -5.694 23.978 -5.831 1.00 0.00 C ATOM 1386 CG ARG A 83 -6.880 23.350 -5.079 1.00 0.00 C ATOM 1387 CD ARG A 83 -7.543 24.319 -4.110 1.00 0.00 C ATOM 1388 NE ARG A 83 -8.373 25.321 -4.809 1.00 0.00 N ATOM 1389 CZ ARG A 83 -8.059 26.600 -4.990 1.00 0.00 C ATOM 1390 NH1 ARG A 83 -6.938 27.121 -4.550 1.00 0.00 N ATOM 1391 NH2 ARG A 83 -8.894 27.371 -5.631 1.00 0.00 N ATOM 0 H ARG A 83 -3.641 21.957 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.816 22.735 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.952 24.318 -5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.040 24.859 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.619 23.002 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.534 22.474 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.163 23.762 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.777 24.828 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.266 25.004 -5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.268 26.539 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.737 28.108 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.772 26.990 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.669 28.355 -5.779 1.00 0.00 H new ATOM 1405 N SER A 84 -4.165 24.696 -8.332 1.00 0.00 N ATOM 1406 CA SER A 84 -3.163 25.410 -9.143 1.00 0.00 C ATOM 1407 C SER A 84 -2.470 24.432 -10.102 1.00 0.00 C ATOM 1408 O SER A 84 -3.048 24.068 -11.112 1.00 0.00 O ATOM 1409 CB SER A 84 -2.157 26.160 -8.249 1.00 0.00 C ATOM 1410 OG SER A 84 -1.212 26.881 -9.024 1.00 0.00 O ATOM 0 H SER A 84 -5.108 25.073 -8.422 1.00 0.00 H new ATOM 0 HA SER A 84 -3.668 26.165 -9.745 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.692 26.847 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.637 25.448 -7.608 1.00 0.00 H new ATOM 0 HG SER A 84 -0.589 27.348 -8.429 1.00 0.00 H new ATOM 1416 N ARG A 85 -1.253 24.000 -9.791 1.00 0.00 N ATOM 1417 CA ARG A 85 -0.543 23.036 -10.637 1.00 0.00 C ATOM 1418 C ARG A 85 -1.175 21.652 -10.554 1.00 0.00 C ATOM 1419 O ARG A 85 -1.013 20.857 -11.470 1.00 0.00 O ATOM 1420 CB ARG A 85 0.928 22.935 -10.229 1.00 0.00 C ATOM 1421 CG ARG A 85 1.717 24.213 -10.479 1.00 0.00 C ATOM 1422 CD ARG A 85 3.212 23.971 -10.291 1.00 0.00 C ATOM 1423 NE ARG A 85 3.994 25.196 -10.535 1.00 0.00 N ATOM 1424 CZ ARG A 85 4.385 26.063 -9.604 1.00 0.00 C ATOM 1425 NH1 ARG A 85 4.110 25.904 -8.332 1.00 0.00 N ATOM 1426 NH2 ARG A 85 5.071 27.113 -9.965 1.00 0.00 N ATOM 0 H ARG A 85 -0.736 24.298 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.614 23.398 -11.663 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.987 22.683 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.394 22.117 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.526 24.572 -11.490 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.381 24.993 -9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.399 23.615 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.543 23.186 -10.971 1.00 0.00 H new ATOM 0 HE ARG A 85 4.258 25.397 -11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.577 25.091 -8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.429 26.593 -7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.300 27.259 -10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.378 27.787 -9.264 1.00 0.00 H new ATOM 1440 N GLN A 86 -1.873 21.390 -9.448 1.00 0.00 N ATOM 1441 CA GLN A 86 -2.565 20.115 -9.164 1.00 0.00 C ATOM 1442 C GLN A 86 -1.681 18.860 -9.041 1.00 0.00 C ATOM 1443 O GLN A 86 -1.650 18.241 -7.982 1.00 0.00 O ATOM 1444 CB GLN A 86 -3.688 19.852 -10.187 1.00 0.00 C ATOM 1445 CG GLN A 86 -4.853 20.828 -10.080 1.00 0.00 C ATOM 1446 CD GLN A 86 -6.023 20.433 -10.958 1.00 0.00 C ATOM 1447 OE1 GLN A 86 -6.217 20.991 -12.024 1.00 0.00 O ATOM 1448 NE2 GLN A 86 -6.807 19.483 -10.513 1.00 0.00 N ATOM 0 H GLN A 86 -1.980 22.073 -8.698 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.969 20.274 -8.164 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.271 19.906 -11.193 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.062 18.837 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.183 20.882 -9.043 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.514 21.826 -10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.612 19.039 -9.615 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.613 19.187 -11.064 1.00 0.00 H new ATOM 1457 N LYS A 87 -0.990 18.492 -10.116 1.00 0.00 N ATOM 1458 CA LYS A 87 -0.146 17.283 -10.183 1.00 0.00 C ATOM 1459 C LYS A 87 -0.893 16.027 -9.722 1.00 0.00 C ATOM 1460 O LYS A 87 -0.306 15.170 -9.088 1.00 0.00 O ATOM 1461 CB LYS A 87 1.157 17.453 -9.375 1.00 0.00 C ATOM 1462 CG LYS A 87 2.305 16.513 -9.856 1.00 0.00 C ATOM 1463 CD LYS A 87 3.221 16.025 -8.715 1.00 0.00 C ATOM 1464 CE LYS A 87 2.559 14.971 -7.794 1.00 0.00 C ATOM 1465 NZ LYS A 87 2.208 13.675 -8.479 1.00 0.00 N ATOM 0 H LYS A 87 -0.995 19.028 -10.984 1.00 0.00 H new ATOM 0 HA LYS A 87 0.113 17.151 -11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.489 18.489 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.952 17.257 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.870 15.648 -10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.908 17.039 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.128 15.600 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.525 16.881 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.233 14.758 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.652 15.399 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.849 12.997 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.477 13.849 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.056 13.283 -8.936 1.00 0.00 H new ATOM 1479 N TYR A 88 -2.180 15.944 -10.059 1.00 0.00 N ATOM 1480 CA TYR A 88 -3.035 14.783 -9.741 1.00 0.00 C ATOM 1481 C TYR A 88 -2.823 14.213 -8.322 1.00 0.00 C ATOM 1482 O TYR A 88 -2.834 13.016 -8.120 1.00 0.00 O ATOM 1483 CB TYR A 88 -2.852 13.682 -10.820 1.00 0.00 C ATOM 1484 CG TYR A 88 -1.408 13.309 -11.146 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -0.705 12.373 -10.361 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -0.738 13.890 -12.248 1.00 0.00 C ATOM 1487 CE1 TYR A 88 0.642 12.031 -10.656 1.00 0.00 C ATOM 1488 CE2 TYR A 88 0.618 13.551 -12.541 1.00 0.00 C ATOM 1489 CZ TYR A 88 1.288 12.624 -11.733 1.00 0.00 C ATOM 1490 OH TYR A 88 2.594 12.291 -11.985 1.00 0.00 O ATOM 0 H TYR A 88 -2.669 16.682 -10.564 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.064 15.143 -9.752 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.374 12.784 -10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.338 14.014 -11.737 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.199 11.908 -9.521 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.258 14.599 -12.875 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.163 11.310 -10.043 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.123 14.006 -13.380 1.00 0.00 H new ATOM 0 HH TYR A 88 2.944 11.756 -11.242 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.612 15.075 -7.336 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.297 14.603 -5.994 1.00 0.00 C ATOM 1502 C ALA A 89 -3.448 13.845 -5.306 1.00 0.00 C ATOM 1503 O ALA A 89 -3.315 12.688 -4.919 1.00 0.00 O ATOM 1504 CB ALA A 89 -1.871 15.805 -5.134 1.00 0.00 C ATOM 0 H ALA A 89 -2.652 16.089 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.488 13.880 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.632 15.465 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.993 16.275 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.686 16.528 -5.090 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.591 14.479 -5.157 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.694 13.834 -4.458 1.00 0.00 C ATOM 1512 C GLU A 90 -6.215 12.681 -5.323 1.00 0.00 C ATOM 1513 O GLU A 90 -6.739 11.694 -4.810 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.764 14.863 -4.099 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.678 15.314 -2.617 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.365 16.043 -2.253 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.113 17.161 -2.770 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.585 15.495 -1.423 1.00 0.00 O ATOM 0 H GLU A 90 -4.784 15.420 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.363 13.408 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.659 15.733 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.750 14.440 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.519 15.973 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.785 14.439 -1.976 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.021 12.789 -6.629 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.309 11.683 -7.538 1.00 0.00 C ATOM 1527 C GLU A 91 -5.378 10.502 -7.239 1.00 0.00 C ATOM 1528 O GLU A 91 -5.819 9.350 -7.225 1.00 0.00 O ATOM 1529 CB GLU A 91 -6.116 12.128 -8.995 1.00 0.00 C ATOM 1530 CG GLU A 91 -6.384 11.036 -10.043 1.00 0.00 C ATOM 1531 CD GLU A 91 -5.123 10.637 -10.824 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -4.921 11.182 -11.930 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -4.341 9.774 -10.345 1.00 0.00 O ATOM 0 H GLU A 91 -5.666 13.629 -7.085 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.344 11.375 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.777 12.972 -9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.094 12.487 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.792 10.155 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.142 11.388 -10.742 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.096 10.753 -7.000 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.188 9.626 -6.804 1.00 0.00 C ATOM 1542 C GLU A 92 -3.383 9.027 -5.421 1.00 0.00 C ATOM 1543 O GLU A 92 -3.102 7.854 -5.193 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.734 9.964 -7.149 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.937 10.782 -6.182 1.00 0.00 C ATOM 1546 CD GLU A 92 0.362 11.289 -6.809 1.00 0.00 C ATOM 1547 OE1 GLU A 92 0.833 12.382 -6.421 1.00 0.00 O ATOM 1548 OE2 GLU A 92 0.912 10.609 -7.705 1.00 0.00 O ATOM 0 H GLU A 92 -3.675 11.680 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.447 8.847 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.204 9.024 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.735 10.489 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.533 11.629 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.707 10.183 -5.301 1.00 0.00 H new ATOM 1555 N LEU A 93 -3.926 9.818 -4.510 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.311 9.303 -3.203 1.00 0.00 C ATOM 1557 C LEU A 93 -5.435 8.285 -3.410 1.00 0.00 C ATOM 1558 O LEU A 93 -5.453 7.230 -2.783 1.00 0.00 O ATOM 1559 CB LEU A 93 -4.809 10.431 -2.304 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.170 9.989 -0.880 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -3.906 9.791 -0.033 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.101 11.032 -0.265 1.00 0.00 C ATOM 0 H LEU A 93 -4.110 10.812 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.449 8.840 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.041 11.202 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.686 10.887 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.683 9.028 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.187 9.478 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.278 9.026 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.353 10.729 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.366 10.731 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.597 11.998 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.006 11.113 -0.868 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.367 8.593 -4.301 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.453 7.662 -4.616 1.00 0.00 C ATOM 1576 C GLU A 94 -6.899 6.441 -5.352 1.00 0.00 C ATOM 1577 O GLU A 94 -7.443 5.347 -5.250 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.536 8.347 -5.454 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.643 8.975 -4.611 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.561 7.924 -3.993 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -10.317 7.492 -2.847 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.533 7.511 -4.664 1.00 0.00 O ATOM 0 H GLU A 94 -6.398 9.472 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.908 7.335 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.075 9.119 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.976 7.617 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.198 9.577 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.232 9.650 -5.232 1.00 0.00 H new ATOM 1589 N GLN A 95 -5.800 6.611 -6.071 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.142 5.472 -6.714 1.00 0.00 C ATOM 1591 C GLN A 95 -4.454 4.587 -5.660 1.00 0.00 C ATOM 1592 O GLN A 95 -4.397 3.376 -5.805 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.143 5.957 -7.759 1.00 0.00 C ATOM 1594 CG GLN A 95 -4.499 5.535 -9.179 1.00 0.00 C ATOM 1595 CD GLN A 95 -5.859 6.052 -9.619 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -6.805 5.289 -9.754 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -5.960 7.332 -9.855 1.00 0.00 N ATOM 0 H GLN A 95 -5.346 7.511 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.896 4.870 -7.221 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.082 7.044 -7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -3.154 5.572 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.736 5.902 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.490 4.447 -9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.149 7.939 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.849 7.725 -10.163 1.00 0.00 H new ATOM 1606 N VAL A 96 -3.964 5.175 -4.578 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.408 4.385 -3.462 1.00 0.00 C ATOM 1608 C VAL A 96 -4.565 3.677 -2.734 1.00 0.00 C ATOM 1609 O VAL A 96 -4.457 2.526 -2.269 1.00 0.00 O ATOM 1610 CB VAL A 96 -2.618 5.294 -2.485 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -2.185 4.527 -1.225 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -1.384 5.859 -3.191 1.00 0.00 C ATOM 0 H VAL A 96 -3.935 6.185 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.713 3.642 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.275 6.107 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.634 5.196 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.067 4.150 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.546 3.691 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.831 6.497 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.745 5.039 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.696 6.444 -4.056 1.00 0.00 H new ATOM 1622 N ARG A 97 -5.697 4.356 -2.663 1.00 0.00 N ATOM 1623 CA ARG A 97 -6.908 3.768 -2.099 1.00 0.00 C ATOM 1624 C ARG A 97 -7.300 2.571 -2.980 1.00 0.00 C ATOM 1625 O ARG A 97 -7.832 1.583 -2.484 1.00 0.00 O ATOM 1626 CB ARG A 97 -7.993 4.852 -2.019 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.247 4.513 -1.195 1.00 0.00 C ATOM 1628 CD ARG A 97 -10.347 3.843 -2.022 1.00 0.00 C ATOM 1629 NE ARG A 97 -10.660 4.606 -3.246 1.00 0.00 N ATOM 1630 CZ ARG A 97 -10.627 4.120 -4.482 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -10.316 2.877 -4.724 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -10.907 4.892 -5.486 1.00 0.00 N ATOM 0 H ARG A 97 -5.807 5.316 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.761 3.399 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.544 5.753 -1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.308 5.094 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.967 3.854 -0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.641 5.427 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.034 2.835 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.247 3.745 -1.416 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.923 5.585 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.089 2.249 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.299 2.533 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.152 5.869 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.883 4.522 -6.436 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.015 2.641 -4.274 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.238 1.506 -5.180 1.00 0.00 C ATOM 1648 C GLU A 98 -6.156 0.430 -4.960 1.00 0.00 C ATOM 1649 O GLU A 98 -6.454 -0.747 -5.057 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.282 1.968 -6.648 1.00 0.00 C ATOM 1651 CG GLU A 98 -7.765 0.895 -7.652 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.253 0.545 -7.514 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.057 1.396 -7.062 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -9.630 -0.598 -7.849 1.00 0.00 O ATOM 0 H GLU A 98 -6.628 3.469 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.208 1.065 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.938 2.836 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.285 2.297 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.577 1.248 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.174 -0.010 -7.515 1.00 0.00 H new ATOM 1661 N ALA A 99 -4.928 0.827 -4.630 1.00 0.00 N ATOM 1662 CA ALA A 99 -3.855 -0.125 -4.269 1.00 0.00 C ATOM 1663 C ALA A 99 -4.376 -0.983 -3.112 1.00 0.00 C ATOM 1664 O ALA A 99 -4.319 -2.215 -3.138 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.607 0.609 -3.819 1.00 0.00 C ATOM 0 H ALA A 99 -4.641 1.805 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.595 -0.733 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.834 -0.114 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.250 1.248 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.839 1.221 -2.947 1.00 0.00 H new ATOM 1671 N LEU A 100 -4.894 -0.302 -2.092 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.430 -0.988 -0.914 1.00 0.00 C ATOM 1673 C LEU A 100 -6.625 -1.861 -1.289 1.00 0.00 C ATOM 1674 O LEU A 100 -6.723 -3.017 -0.882 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.851 0.040 0.145 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.425 -0.534 1.455 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.398 -1.389 2.207 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -6.888 0.618 2.344 1.00 0.00 C ATOM 0 H LEU A 100 -4.955 0.716 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.648 -1.629 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.985 0.655 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.597 0.701 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.265 -1.181 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.846 -1.773 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.088 -2.223 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.529 -0.780 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.296 0.220 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.042 1.268 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.658 1.190 1.826 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.532 -1.306 -2.078 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.727 -2.029 -2.515 1.00 0.00 C ATOM 1692 C ARG A 101 -8.339 -3.287 -3.276 1.00 0.00 C ATOM 1693 O ARG A 101 -8.953 -4.329 -3.110 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.556 -1.116 -3.416 1.00 0.00 C ATOM 1695 CG ARG A 101 -10.926 -1.630 -3.797 1.00 0.00 C ATOM 1696 CD ARG A 101 -11.384 -0.836 -4.994 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.787 -1.058 -5.363 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.349 -0.606 -6.480 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -12.682 0.071 -7.382 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -14.616 -0.840 -6.692 1.00 0.00 N ATOM 0 H ARG A 101 -7.467 -0.352 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.310 -2.321 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.676 -0.155 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.992 -0.930 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.886 -2.693 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.624 -1.514 -2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.237 0.225 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.752 -1.087 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.369 -1.594 -4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.692 0.270 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.153 0.399 -8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.160 -1.363 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.062 -0.500 -7.544 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.313 -3.192 -4.106 1.00 0.00 N ATOM 1715 CA LYS A 102 -6.842 -4.331 -4.886 1.00 0.00 C ATOM 1716 C LYS A 102 -6.317 -5.397 -3.947 1.00 0.00 C ATOM 1717 O LYS A 102 -6.647 -6.563 -4.101 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.735 -3.886 -5.853 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.291 -4.950 -6.848 1.00 0.00 C ATOM 1720 CD LYS A 102 -6.341 -5.175 -7.933 1.00 0.00 C ATOM 1721 CE LYS A 102 -5.831 -6.129 -9.010 1.00 0.00 C ATOM 1722 NZ LYS A 102 -5.646 -7.519 -8.485 1.00 0.00 N ATOM 0 H LYS A 102 -6.785 -2.333 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.668 -4.738 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.084 -3.014 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.870 -3.569 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.350 -4.649 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.104 -5.886 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.248 -5.580 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.608 -4.221 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.535 -6.146 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.883 -5.760 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.531 -8.178 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.799 -7.553 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.479 -7.793 -7.926 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.515 -4.988 -2.976 1.00 0.00 N ATOM 1737 CA ALA A 103 -4.945 -5.915 -2.007 1.00 0.00 C ATOM 1738 C ALA A 103 -6.047 -6.618 -1.207 1.00 0.00 C ATOM 1739 O ALA A 103 -6.043 -7.845 -1.057 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.006 -5.148 -1.061 1.00 0.00 C ATOM 0 H ALA A 103 -5.242 -4.015 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.380 -6.679 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.578 -5.839 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.205 -4.686 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.569 -4.374 -0.538 1.00 0.00 H new ATOM 1746 N GLU A 104 -6.998 -5.844 -0.704 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.086 -6.412 0.090 1.00 0.00 C ATOM 1748 C GLU A 104 -8.941 -7.361 -0.753 1.00 0.00 C ATOM 1749 O GLU A 104 -9.369 -8.394 -0.274 1.00 0.00 O ATOM 1750 CB GLU A 104 -8.953 -5.303 0.704 1.00 0.00 C ATOM 1751 CG GLU A 104 -8.217 -4.422 1.744 1.00 0.00 C ATOM 1752 CD GLU A 104 -8.040 -5.097 3.110 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -7.393 -6.162 3.186 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -8.539 -4.544 4.116 1.00 0.00 O ATOM 0 H GLU A 104 -7.042 -4.832 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.642 -6.987 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.327 -4.665 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.821 -5.758 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.236 -4.155 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.771 -3.493 1.877 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.178 -7.035 -2.017 1.00 0.00 N ATOM 1762 CA LYS A 105 -9.955 -7.929 -2.888 1.00 0.00 C ATOM 1763 C LYS A 105 -9.185 -9.198 -3.234 1.00 0.00 C ATOM 1764 O LYS A 105 -9.770 -10.274 -3.362 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.363 -7.221 -4.172 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.521 -6.241 -3.968 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.477 -6.255 -5.146 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.352 -7.512 -5.113 1.00 0.00 C ATOM 1769 NZ LYS A 105 -14.249 -7.600 -6.303 1.00 0.00 N ATOM 0 H LYS A 105 -8.854 -6.177 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.848 -8.210 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.504 -6.683 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.649 -7.964 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.061 -6.499 -3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.127 -5.234 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.107 -5.366 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.914 -6.221 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.715 -8.396 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.954 -7.511 -4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.824 -8.465 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.875 -6.770 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.675 -7.627 -7.170 1.00 0.00 H new ATOM 1783 N GLU A 106 -7.876 -9.084 -3.378 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.056 -10.260 -3.635 1.00 0.00 C ATOM 1785 C GLU A 106 -7.153 -11.130 -2.393 1.00 0.00 C ATOM 1786 O GLU A 106 -7.316 -12.349 -2.486 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.608 -9.872 -3.927 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.414 -9.366 -5.352 1.00 0.00 C ATOM 1789 CD GLU A 106 -4.009 -8.842 -5.612 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.161 -8.880 -4.705 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.758 -8.395 -6.754 1.00 0.00 O ATOM 0 H GLU A 106 -7.362 -8.205 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.409 -10.797 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.294 -9.100 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.964 -10.735 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.629 -10.174 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.134 -8.572 -5.551 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.092 -10.500 -1.227 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.248 -11.232 0.021 1.00 0.00 C ATOM 1800 C LEU A 107 -8.619 -11.911 0.086 1.00 0.00 C ATOM 1801 O LEU A 107 -8.698 -13.044 0.534 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.057 -10.305 1.221 1.00 0.00 C ATOM 1803 CG LEU A 107 -7.156 -10.984 2.594 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -6.054 -12.037 2.793 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -7.066 -9.912 3.662 1.00 0.00 C ATOM 0 H LEU A 107 -6.938 -9.497 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.479 -12.004 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.080 -9.828 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.804 -9.513 1.170 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.108 -11.510 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.160 -12.493 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.142 -12.806 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.077 -11.560 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.134 -10.373 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.115 -9.388 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.884 -9.203 3.536 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.682 -11.254 -0.373 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.019 -11.878 -0.401 1.00 0.00 C ATOM 1819 C GLU A 108 -10.925 -13.193 -1.174 1.00 0.00 C ATOM 1820 O GLU A 108 -11.331 -14.253 -0.672 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.076 -10.993 -1.102 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.510 -9.725 -0.367 1.00 0.00 C ATOM 1823 CD GLU A 108 -13.258 -8.745 -1.295 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -13.295 -7.533 -0.984 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -13.803 -9.179 -2.343 1.00 0.00 O ATOM 0 H GLU A 108 -9.653 -10.299 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.331 -12.026 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.684 -10.703 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.962 -11.601 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.154 -9.994 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.633 -9.230 0.051 1.00 0.00 H new ATOM 1832 N SER A 109 -10.378 -13.134 -2.386 1.00 0.00 N ATOM 1833 CA SER A 109 -10.264 -14.336 -3.223 1.00 0.00 C ATOM 1834 C SER A 109 -9.413 -15.425 -2.575 1.00 0.00 C ATOM 1835 O SER A 109 -9.705 -16.612 -2.710 1.00 0.00 O ATOM 1836 CB SER A 109 -9.677 -13.989 -4.591 1.00 0.00 C ATOM 1837 OG SER A 109 -8.831 -12.855 -4.516 1.00 0.00 O ATOM 0 H SER A 109 -10.010 -12.282 -2.810 1.00 0.00 H new ATOM 0 HA SER A 109 -11.276 -14.725 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.114 -14.840 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.485 -13.797 -5.297 1.00 0.00 H new ATOM 0 HG SER A 109 -8.269 -12.918 -3.715 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.371 -15.035 -1.854 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.479 -16.018 -1.241 1.00 0.00 C ATOM 1845 C HIS A 110 -8.099 -16.610 0.025 1.00 0.00 C ATOM 1846 O HIS A 110 -7.717 -17.696 0.466 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.152 -15.354 -0.862 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.432 -14.724 -2.016 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.610 -15.058 -3.337 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.513 -13.724 -2.033 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.816 -14.292 -4.072 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.122 -13.454 -3.330 1.00 0.00 N ATOM 0 H HIS A 110 -8.122 -14.061 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.314 -16.814 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.342 -14.592 -0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.502 -16.100 -0.406 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.245 -15.773 -3.692 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.141 -13.213 -1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.747 -14.348 -5.148 1.00 0.00 H new ATOM 1860 N SER A 111 -9.062 -15.899 0.592 1.00 0.00 N ATOM 1861 CA SER A 111 -9.747 -16.307 1.820 1.00 0.00 C ATOM 1862 C SER A 111 -11.135 -16.876 1.558 1.00 0.00 C ATOM 1863 O SER A 111 -11.823 -17.277 2.492 1.00 0.00 O ATOM 1864 CB SER A 111 -9.915 -15.088 2.720 1.00 0.00 C ATOM 1865 OG SER A 111 -10.664 -14.094 2.040 1.00 0.00 O ATOM 0 H SER A 111 -9.397 -15.013 0.213 1.00 0.00 H new ATOM 0 HA SER A 111 -9.137 -17.083 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.421 -15.372 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.939 -14.693 3.001 1.00 0.00 H new ATOM 0 HG SER A 111 -10.052 -13.454 1.620 1.00 0.00 H new ATOM 1871 N SER A 112 -11.550 -16.904 0.298 1.00 0.00 N ATOM 1872 CA SER A 112 -12.892 -17.383 -0.063 1.00 0.00 C ATOM 1873 C SER A 112 -13.202 -18.826 0.368 1.00 0.00 C ATOM 1874 O SER A 112 -14.371 -19.195 0.433 1.00 0.00 O ATOM 1875 CB SER A 112 -13.102 -17.244 -1.568 1.00 0.00 C ATOM 1876 OG SER A 112 -13.076 -15.879 -1.954 1.00 0.00 O ATOM 0 H SER A 112 -10.983 -16.603 -0.495 1.00 0.00 H new ATOM 0 HA SER A 112 -13.586 -16.753 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.325 -17.793 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.057 -17.689 -1.850 1.00 0.00 H new ATOM 0 HG SER A 112 -12.336 -15.425 -1.500 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.164 -19.608 0.663 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.245 -20.985 1.213 1.00 0.00 C ATOM 1884 C TRP A 113 -12.841 -22.079 0.306 1.00 0.00 C ATOM 1885 O TRP A 113 -12.412 -23.229 0.362 1.00 0.00 O ATOM 1886 CB TRP A 113 -12.978 -20.959 2.570 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.249 -22.316 3.135 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -12.402 -23.093 3.850 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -14.465 -23.081 3.021 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -12.977 -24.278 4.198 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -14.252 -24.314 3.705 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -15.712 -22.855 2.400 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -15.242 -25.315 3.785 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -16.712 -23.861 2.478 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -16.462 -25.082 3.173 1.00 0.00 C ATOM 0 H TRP A 113 -11.202 -19.300 0.525 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.203 -21.287 1.315 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -12.381 -20.391 3.284 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -13.923 -20.429 2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.394 -22.808 4.112 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.529 -25.018 4.738 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -15.903 -21.932 1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -15.053 -26.240 4.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -17.670 -23.700 2.007 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -17.235 -25.835 3.222 1.00 0.00 H new ATOM 1906 N TYR A 114 -13.813 -21.733 -0.522 1.00 0.00 N ATOM 1907 CA TYR A 114 -14.484 -22.706 -1.382 1.00 0.00 C ATOM 1908 C TYR A 114 -13.542 -23.511 -2.281 1.00 0.00 C ATOM 1909 O TYR A 114 -12.536 -22.997 -2.805 1.00 0.00 O ATOM 1910 CB TYR A 114 -15.525 -21.996 -2.248 1.00 0.00 C ATOM 1911 CG TYR A 114 -16.607 -21.315 -1.437 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -17.497 -22.068 -0.642 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -16.746 -19.911 -1.450 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -18.501 -21.429 0.135 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -17.750 -19.270 -0.675 1.00 0.00 C ATOM 1916 CZ TYR A 114 -18.611 -20.035 0.113 1.00 0.00 C ATOM 1917 OH TYR A 114 -19.580 -19.418 0.863 1.00 0.00 O ATOM 0 H TYR A 114 -14.160 -20.779 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 114 -14.952 -23.425 -0.709 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -15.026 -21.254 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -15.985 -22.720 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -17.414 -23.145 -0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -16.080 -19.315 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -19.176 -22.017 0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -17.846 -18.195 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 114 -19.522 -18.448 0.738 1.00 0.00 H new ATOM 1927 N ALA A 115 -13.904 -24.777 -2.453 1.00 0.00 N ATOM 1928 CA ALA A 115 -13.178 -25.734 -3.272 1.00 0.00 C ATOM 1929 C ALA A 115 -14.211 -26.784 -3.669 1.00 0.00 C ATOM 1930 O ALA A 115 -15.282 -26.775 -3.017 1.00 0.00 O ATOM 1931 CB ALA A 115 -12.029 -26.371 -2.460 1.00 0.00 C ATOM 1932 OXT ALA A 115 -13.954 -27.587 -4.588 1.00 0.00 O ATOM 0 H ALA A 115 -14.734 -25.175 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.722 -25.268 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -11.494 -27.085 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.342 -25.592 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -12.439 -26.886 -1.591 1.00 0.00 H new TER 1938 ALA A 115