USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : no HE2:sc= 0.139 K(o=-0.62,f=-9.2!) USER MOD Set 1.2: A 129 GLN : amide:sc= -1.6! X(o=-0.62!,f=-0.77) USER MOD Set 1.3: A 132 LYS NZ :NH3+ 174:sc= 0.84 (180deg=0.586) USER MOD Set 2.1: A 47 CYS SG : rot 180:sc= -0.559 USER MOD Set 2.2: A 49 THR OG1 : rot 130:sc= -1.7! USER MOD Single : A 1 MET CE :methyl -123:sc= -0.13 (180deg=-2.1!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 137:sc= 0.78 (180deg=-0.106) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -8.04! C(o=-8!,f=-15!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.45! C(o=-3.5!,f=-4.6!) USER MOD Single : A 28 TYR OH : rot -73:sc= 0.00933 USER MOD Single : A 31 LYS NZ :NH3+ 163:sc=-0.00104 (180deg=-0.0601) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.836 USER MOD Single : A 67 HIS : no HD1:sc= -0.955 K(o=-0.96,f=-2.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0935 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 102 TYR OH : rot 134:sc= 0.197 USER MOD Single : A 105 TYR OH : rot 166:sc= -1.11 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 127 GLN : amide:sc= -8.61! C(o=-8.6!,f=-11!) USER MOD Single : A 135 THR OG1 : rot -38:sc= 0.397 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.291 -5.222 7.315 1.00 0.00 N ATOM 2 CA MET A 1 13.160 -4.386 7.682 1.00 0.00 C ATOM 3 C MET A 1 12.549 -3.718 6.449 1.00 0.00 C ATOM 4 O MET A 1 13.248 -3.046 5.692 1.00 0.00 O ATOM 5 CB MET A 1 13.618 -3.312 8.671 1.00 0.00 C ATOM 6 CG MET A 1 12.419 -2.616 9.319 1.00 0.00 C ATOM 7 SD MET A 1 11.986 -3.439 10.843 1.00 0.00 S ATOM 8 CE MET A 1 10.219 -3.188 10.840 1.00 0.00 C ATOM 0 H1 MET A 1 14.688 -5.664 8.169 1.00 0.00 H new ATOM 0 H2 MET A 1 13.976 -5.963 6.656 1.00 0.00 H new ATOM 0 H3 MET A 1 15.020 -4.638 6.857 1.00 0.00 H new ATOM 0 HA MET A 1 12.401 -5.017 8.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.241 -3.765 9.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.235 -2.576 8.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.657 -1.571 9.516 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.569 -2.626 8.636 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.923 -2.673 11.754 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.939 -2.585 9.976 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.715 -4.153 10.788 1.00 0.00 H new ATOM 18 N VAL A 2 11.250 -3.926 6.285 1.00 0.00 N ATOM 19 CA VAL A 2 10.537 -3.352 5.157 1.00 0.00 C ATOM 20 C VAL A 2 11.029 -4.005 3.863 1.00 0.00 C ATOM 21 O VAL A 2 12.219 -4.279 3.715 1.00 0.00 O ATOM 22 CB VAL A 2 10.696 -1.831 5.156 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.881 -1.195 4.028 1.00 0.00 C ATOM 24 CG2 VAL A 2 10.309 -1.239 6.513 1.00 0.00 C ATOM 0 H VAL A 2 10.673 -4.484 6.915 1.00 0.00 H new ATOM 0 HA VAL A 2 9.469 -3.553 5.238 1.00 0.00 H new ATOM 0 HB VAL A 2 11.747 -1.604 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.012 -0.113 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.224 -1.583 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.826 -1.436 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.431 -0.156 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.269 -1.482 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.951 -1.657 7.289 1.00 0.00 H new ATOM 34 N PRO A 3 10.063 -4.241 2.935 1.00 0.00 N ATOM 35 CA PRO A 3 10.385 -4.856 1.659 1.00 0.00 C ATOM 36 C PRO A 3 11.083 -3.859 0.731 1.00 0.00 C ATOM 37 O PRO A 3 11.195 -2.678 1.054 1.00 0.00 O ATOM 38 CB PRO A 3 9.055 -5.347 1.112 1.00 0.00 C ATOM 39 CG PRO A 3 7.984 -4.583 1.873 1.00 0.00 C ATOM 40 CD PRO A 3 8.644 -3.929 3.076 1.00 0.00 C ATOM 0 HA PRO A 3 11.089 -5.682 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.981 -5.161 0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.946 -6.422 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.525 -3.830 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.189 -5.257 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.474 -2.852 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.243 -4.322 4.010 1.00 0.00 H new ATOM 48 N PRO A 4 11.544 -4.386 -0.435 1.00 0.00 N ATOM 49 CA PRO A 4 12.227 -3.556 -1.413 1.00 0.00 C ATOM 50 C PRO A 4 11.236 -2.668 -2.167 1.00 0.00 C ATOM 51 O PRO A 4 11.383 -1.447 -2.188 1.00 0.00 O ATOM 52 CB PRO A 4 12.956 -4.535 -2.319 1.00 0.00 C ATOM 53 CG PRO A 4 12.285 -5.881 -2.104 1.00 0.00 C ATOM 54 CD PRO A 4 11.429 -5.780 -0.852 1.00 0.00 C ATOM 0 HA PRO A 4 12.929 -2.858 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.888 -4.227 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.016 -4.583 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.671 -6.144 -2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.032 -6.667 -1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.393 -6.047 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.784 -6.456 -0.074 1.00 0.00 H new ATOM 62 N LYS A 5 10.248 -3.315 -2.767 1.00 0.00 N ATOM 63 CA LYS A 5 9.232 -2.600 -3.520 1.00 0.00 C ATOM 64 C LYS A 5 8.859 -1.317 -2.773 1.00 0.00 C ATOM 65 O LYS A 5 8.726 -0.257 -3.382 1.00 0.00 O ATOM 66 CB LYS A 5 8.038 -3.511 -3.810 1.00 0.00 C ATOM 67 CG LYS A 5 7.965 -3.862 -5.297 1.00 0.00 C ATOM 68 CD LYS A 5 7.433 -2.681 -6.113 1.00 0.00 C ATOM 69 CE LYS A 5 5.916 -2.774 -6.287 1.00 0.00 C ATOM 70 NZ LYS A 5 5.413 -1.623 -7.070 1.00 0.00 N ATOM 0 H LYS A 5 10.129 -4.328 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 5 9.620 -2.302 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.121 -4.424 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.116 -3.017 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.955 -4.141 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.318 -4.728 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.689 -1.746 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.914 -2.664 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.658 -3.705 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.433 -2.796 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.713 -1.955 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.967 -0.936 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.205 -1.169 -7.567 1.00 0.00 H new ATOM 84 N LEU A 6 8.702 -1.456 -1.465 1.00 0.00 N ATOM 85 CA LEU A 6 8.347 -0.322 -0.629 1.00 0.00 C ATOM 86 C LEU A 6 9.577 0.567 -0.435 1.00 0.00 C ATOM 87 O LEU A 6 9.622 1.689 -0.937 1.00 0.00 O ATOM 88 CB LEU A 6 7.719 -0.798 0.682 1.00 0.00 C ATOM 89 CG LEU A 6 7.149 0.295 1.588 1.00 0.00 C ATOM 90 CD1 LEU A 6 5.796 0.786 1.070 1.00 0.00 C ATOM 91 CD2 LEU A 6 7.067 -0.184 3.039 1.00 0.00 C ATOM 0 H LEU A 6 8.814 -2.337 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 6 7.586 0.287 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.919 -1.500 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.472 -1.351 1.243 1.00 0.00 H new ATOM 0 HG LEU A 6 7.830 1.146 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.413 1.562 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.917 1.192 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.093 -0.047 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.659 0.612 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.420 -1.059 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.064 -0.446 3.393 1.00 0.00 H new ATOM 103 N LYS A 7 10.545 0.033 0.295 1.00 0.00 N ATOM 104 CA LYS A 7 11.772 0.764 0.562 1.00 0.00 C ATOM 105 C LYS A 7 12.191 1.525 -0.697 1.00 0.00 C ATOM 106 O LYS A 7 12.755 2.614 -0.609 1.00 0.00 O ATOM 107 CB LYS A 7 12.851 -0.179 1.100 1.00 0.00 C ATOM 108 CG LYS A 7 14.009 0.608 1.716 1.00 0.00 C ATOM 109 CD LYS A 7 14.110 0.347 3.221 1.00 0.00 C ATOM 110 CE LYS A 7 14.924 1.442 3.914 1.00 0.00 C ATOM 111 NZ LYS A 7 16.373 1.174 3.777 1.00 0.00 N ATOM 0 H LYS A 7 10.504 -0.898 0.710 1.00 0.00 H new ATOM 0 HA LYS A 7 11.612 1.506 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.419 -0.843 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.224 -0.809 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.944 0.326 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.865 1.674 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.111 0.303 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.576 -0.623 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.685 2.412 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.655 1.491 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.912 1.926 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.599 0.257 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.628 1.150 2.769 1.00 0.00 H new ATOM 125 N GLN A 8 11.900 0.920 -1.839 1.00 0.00 N ATOM 126 CA GLN A 8 12.240 1.527 -3.115 1.00 0.00 C ATOM 127 C GLN A 8 11.476 2.841 -3.298 1.00 0.00 C ATOM 128 O GLN A 8 12.075 3.875 -3.588 1.00 0.00 O ATOM 129 CB GLN A 8 11.962 0.565 -4.272 1.00 0.00 C ATOM 130 CG GLN A 8 13.229 -0.192 -4.672 1.00 0.00 C ATOM 131 CD GLN A 8 13.858 -0.887 -3.463 1.00 0.00 C ATOM 132 OE1 GLN A 8 13.536 -2.015 -3.126 1.00 0.00 O ATOM 133 NE2 GLN A 8 14.770 -0.154 -2.831 1.00 0.00 N ATOM 0 H GLN A 8 11.433 0.016 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 8 13.308 1.747 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.187 -0.144 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.581 1.121 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.989 -0.931 -5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.947 0.500 -5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.992 0.783 -3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.247 -0.529 -2.011 1.00 0.00 H new ATOM 142 N ALA A 9 10.166 2.756 -3.121 1.00 0.00 N ATOM 143 CA ALA A 9 9.315 3.925 -3.263 1.00 0.00 C ATOM 144 C ALA A 9 9.736 4.984 -2.244 1.00 0.00 C ATOM 145 O ALA A 9 10.092 6.102 -2.615 1.00 0.00 O ATOM 146 CB ALA A 9 7.850 3.512 -3.103 1.00 0.00 C ATOM 0 H ALA A 9 9.673 1.896 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 9 9.425 4.361 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.211 4.389 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.593 2.780 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.702 3.072 -2.117 1.00 0.00 H new ATOM 152 N LEU A 10 9.682 4.596 -0.978 1.00 0.00 N ATOM 153 CA LEU A 10 10.054 5.499 0.098 1.00 0.00 C ATOM 154 C LEU A 10 11.390 6.164 -0.239 1.00 0.00 C ATOM 155 O LEU A 10 11.513 7.387 -0.174 1.00 0.00 O ATOM 156 CB LEU A 10 10.055 4.763 1.439 1.00 0.00 C ATOM 157 CG LEU A 10 8.681 4.385 1.997 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.817 3.600 3.303 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.796 5.622 2.161 1.00 0.00 C ATOM 0 H LEU A 10 9.386 3.669 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 10 9.317 6.296 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.644 3.852 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.564 5.387 2.173 1.00 0.00 H new ATOM 0 HG LEU A 10 8.189 3.731 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.826 3.344 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.384 2.687 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.338 4.209 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.826 5.325 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.272 6.321 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.659 6.102 1.192 1.00 0.00 H new ATOM 171 N GLU A 11 12.358 5.330 -0.591 1.00 0.00 N ATOM 172 CA GLU A 11 13.680 5.822 -0.938 1.00 0.00 C ATOM 173 C GLU A 11 13.594 6.787 -2.123 1.00 0.00 C ATOM 174 O GLU A 11 13.982 7.949 -2.012 1.00 0.00 O ATOM 175 CB GLU A 11 14.633 4.665 -1.242 1.00 0.00 C ATOM 176 CG GLU A 11 15.218 4.083 0.047 1.00 0.00 C ATOM 177 CD GLU A 11 16.670 3.648 -0.157 1.00 0.00 C ATOM 178 OE1 GLU A 11 17.543 4.542 -0.104 1.00 0.00 O ATOM 179 OE2 GLU A 11 16.875 2.432 -0.362 1.00 0.00 O ATOM 0 H GLU A 11 12.253 4.317 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 11 14.080 6.364 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.102 3.886 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.440 5.014 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.166 4.827 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.621 3.230 0.369 1.00 0.00 H new ATOM 186 N LEU A 12 13.082 6.269 -3.230 1.00 0.00 N ATOM 187 CA LEU A 12 12.939 7.070 -4.434 1.00 0.00 C ATOM 188 C LEU A 12 12.210 8.371 -4.093 1.00 0.00 C ATOM 189 O LEU A 12 12.597 9.443 -4.554 1.00 0.00 O ATOM 190 CB LEU A 12 12.264 6.258 -5.541 1.00 0.00 C ATOM 191 CG LEU A 12 11.845 7.041 -6.787 1.00 0.00 C ATOM 192 CD1 LEU A 12 13.067 7.576 -7.535 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.946 6.194 -7.690 1.00 0.00 C ATOM 0 H LEU A 12 12.761 5.305 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 12 13.918 7.347 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.944 5.463 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.379 5.777 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 12 11.260 7.903 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.741 8.128 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.633 8.238 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.699 6.743 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.662 6.774 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.485 5.300 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.050 5.904 -7.142 1.00 0.00 H new ATOM 205 N PHE A 13 11.167 8.233 -3.288 1.00 0.00 N ATOM 206 CA PHE A 13 10.379 9.384 -2.879 1.00 0.00 C ATOM 207 C PHE A 13 11.275 10.487 -2.310 1.00 0.00 C ATOM 208 O PHE A 13 11.346 11.582 -2.866 1.00 0.00 O ATOM 209 CB PHE A 13 9.422 8.906 -1.786 1.00 0.00 C ATOM 210 CG PHE A 13 8.255 9.859 -1.521 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.182 9.869 -2.357 1.00 0.00 C ATOM 212 CD2 PHE A 13 8.290 10.696 -0.449 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.098 10.754 -2.111 1.00 0.00 C ATOM 214 CE2 PHE A 13 7.206 11.580 -0.203 1.00 0.00 C ATOM 215 CZ PHE A 13 6.134 11.590 -1.039 1.00 0.00 C ATOM 0 H PHE A 13 10.849 7.342 -2.908 1.00 0.00 H new ATOM 0 HA PHE A 13 9.845 9.793 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.025 7.930 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.982 8.768 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.154 9.204 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.142 10.688 0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.246 10.763 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.233 12.244 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.310 12.263 -0.852 1.00 0.00 H new ATOM 225 N LYS A 14 11.935 10.159 -1.209 1.00 0.00 N ATOM 226 CA LYS A 14 12.822 11.108 -0.558 1.00 0.00 C ATOM 227 C LYS A 14 13.882 11.577 -1.558 1.00 0.00 C ATOM 228 O LYS A 14 14.372 12.701 -1.466 1.00 0.00 O ATOM 229 CB LYS A 14 13.407 10.505 0.720 1.00 0.00 C ATOM 230 CG LYS A 14 14.402 11.466 1.374 1.00 0.00 C ATOM 231 CD LYS A 14 15.634 10.715 1.885 1.00 0.00 C ATOM 232 CE LYS A 14 16.703 10.612 0.796 1.00 0.00 C ATOM 233 NZ LYS A 14 17.827 9.764 1.252 1.00 0.00 N ATOM 0 H LYS A 14 11.873 9.250 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 14 12.268 11.992 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.603 10.277 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.904 9.563 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.707 12.225 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.920 11.987 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.044 11.230 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.346 9.716 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.268 10.192 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.070 11.607 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.544 9.705 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.253 10.181 2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.475 8.810 1.471 1.00 0.00 H new ATOM 247 N SER A 15 14.203 10.691 -2.489 1.00 0.00 N ATOM 248 CA SER A 15 15.196 11.000 -3.505 1.00 0.00 C ATOM 249 C SER A 15 14.588 11.915 -4.570 1.00 0.00 C ATOM 250 O SER A 15 15.304 12.661 -5.234 1.00 0.00 O ATOM 251 CB SER A 15 15.740 9.723 -4.149 1.00 0.00 C ATOM 252 OG SER A 15 16.990 9.943 -4.796 1.00 0.00 O ATOM 0 H SER A 15 13.794 9.760 -2.562 1.00 0.00 H new ATOM 0 HA SER A 15 16.028 11.515 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.857 8.954 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.018 9.346 -4.873 1.00 0.00 H new ATOM 0 HG SER A 15 17.305 9.104 -5.193 1.00 0.00 H new ATOM 258 N LEU A 16 13.272 11.826 -4.699 1.00 0.00 N ATOM 259 CA LEU A 16 12.559 12.637 -5.672 1.00 0.00 C ATOM 260 C LEU A 16 12.495 14.083 -5.176 1.00 0.00 C ATOM 261 O LEU A 16 12.613 14.337 -3.978 1.00 0.00 O ATOM 262 CB LEU A 16 11.188 12.029 -5.974 1.00 0.00 C ATOM 263 CG LEU A 16 11.177 10.849 -6.948 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.762 10.296 -7.124 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.811 11.238 -8.286 1.00 0.00 C ATOM 0 H LEU A 16 12.681 11.205 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 16 13.093 12.649 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.742 11.703 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.546 12.813 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 16 11.784 10.049 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.783 9.458 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.381 9.957 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.112 11.078 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.791 10.382 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.251 12.062 -8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.843 11.547 -8.123 1.00 0.00 H new ATOM 277 N PRO A 17 12.305 15.015 -6.147 1.00 0.00 N ATOM 278 CA PRO A 17 12.224 16.429 -5.821 1.00 0.00 C ATOM 279 C PRO A 17 10.876 16.768 -5.182 1.00 0.00 C ATOM 280 O PRO A 17 9.832 16.309 -5.645 1.00 0.00 O ATOM 281 CB PRO A 17 12.455 17.150 -7.138 1.00 0.00 C ATOM 282 CG PRO A 17 12.194 16.123 -8.228 1.00 0.00 C ATOM 283 CD PRO A 17 12.162 14.750 -7.575 1.00 0.00 C ATOM 0 HA PRO A 17 12.964 16.733 -5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.785 18.004 -7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.473 17.534 -7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.248 16.330 -8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.974 16.166 -8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.228 14.231 -7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.970 14.118 -7.943 1.00 0.00 H new ATOM 291 N LYS A 18 10.941 17.569 -4.129 1.00 0.00 N ATOM 292 CA LYS A 18 9.738 17.975 -3.422 1.00 0.00 C ATOM 293 C LYS A 18 8.592 18.134 -4.423 1.00 0.00 C ATOM 294 O LYS A 18 7.643 17.352 -4.415 1.00 0.00 O ATOM 295 CB LYS A 18 10.004 19.230 -2.588 1.00 0.00 C ATOM 296 CG LYS A 18 8.737 19.683 -1.859 1.00 0.00 C ATOM 297 CD LYS A 18 8.772 21.188 -1.584 1.00 0.00 C ATOM 298 CE LYS A 18 8.405 21.487 -0.129 1.00 0.00 C ATOM 299 NZ LYS A 18 9.043 22.746 0.318 1.00 0.00 N ATOM 0 H LYS A 18 11.808 17.948 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 18 9.437 17.206 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.793 19.029 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.362 20.031 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.861 19.440 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.640 19.140 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.767 21.578 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.078 21.700 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.322 21.566 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.725 20.664 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.784 22.934 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.076 22.658 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.718 23.532 -0.281 1.00 0.00 H new ATOM 313 N GLU A 19 8.718 19.152 -5.262 1.00 0.00 N ATOM 314 CA GLU A 19 7.705 19.424 -6.267 1.00 0.00 C ATOM 315 C GLU A 19 7.099 18.114 -6.777 1.00 0.00 C ATOM 316 O GLU A 19 5.885 17.925 -6.721 1.00 0.00 O ATOM 317 CB GLU A 19 8.284 20.246 -7.421 1.00 0.00 C ATOM 318 CG GLU A 19 9.779 19.972 -7.593 1.00 0.00 C ATOM 319 CD GLU A 19 10.617 21.074 -6.939 1.00 0.00 C ATOM 320 OE1 GLU A 19 10.844 20.962 -5.715 1.00 0.00 O ATOM 321 OE2 GLU A 19 11.010 22.002 -7.678 1.00 0.00 O ATOM 0 H GLU A 19 9.507 19.799 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 19 6.913 20.014 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.758 20.004 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.125 21.308 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.029 19.008 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.021 19.907 -8.654 1.00 0.00 H new ATOM 328 N LEU A 20 7.973 17.245 -7.263 1.00 0.00 N ATOM 329 CA LEU A 20 7.539 15.959 -7.782 1.00 0.00 C ATOM 330 C LEU A 20 6.890 15.152 -6.656 1.00 0.00 C ATOM 331 O LEU A 20 5.816 14.580 -6.837 1.00 0.00 O ATOM 332 CB LEU A 20 8.702 15.237 -8.466 1.00 0.00 C ATOM 333 CG LEU A 20 9.113 15.776 -9.837 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.173 14.881 -10.483 1.00 0.00 C ATOM 335 CD2 LEU A 20 7.893 15.963 -10.741 1.00 0.00 C ATOM 0 H LEU A 20 8.979 17.406 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 20 6.781 16.096 -8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.569 15.280 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.437 14.186 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 20 9.563 16.759 -9.696 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.448 15.287 -11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.055 14.843 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.772 13.875 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.213 16.347 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.392 15.005 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.204 16.670 -10.280 1.00 0.00 H new ATOM 347 N ARG A 21 7.569 15.131 -5.519 1.00 0.00 N ATOM 348 CA ARG A 21 7.073 14.403 -4.364 1.00 0.00 C ATOM 349 C ARG A 21 5.592 14.715 -4.136 1.00 0.00 C ATOM 350 O ARG A 21 4.874 13.923 -3.528 1.00 0.00 O ATOM 351 CB ARG A 21 7.862 14.764 -3.104 1.00 0.00 C ATOM 352 CG ARG A 21 9.330 14.356 -3.241 1.00 0.00 C ATOM 353 CD ARG A 21 9.975 14.158 -1.868 1.00 0.00 C ATOM 354 NE ARG A 21 11.348 14.710 -1.869 1.00 0.00 N ATOM 355 CZ ARG A 21 12.073 14.925 -0.763 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.560 14.636 0.441 1.00 0.00 N ATOM 357 NH2 ARG A 21 13.311 15.429 -0.860 1.00 0.00 N ATOM 0 H ARG A 21 8.459 15.607 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 21 7.198 13.339 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.794 15.837 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.422 14.267 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.402 13.434 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.874 15.121 -3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.377 14.651 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.001 13.097 -1.619 1.00 0.00 H new ATOM 0 HE ARG A 21 11.769 14.941 -2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.618 14.252 0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.112 14.800 1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.702 15.649 -1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.863 15.593 -0.018 1.00 0.00 H new ATOM 371 N SER A 22 5.180 15.870 -4.637 1.00 0.00 N ATOM 372 CA SER A 22 3.798 16.296 -4.497 1.00 0.00 C ATOM 373 C SER A 22 2.929 15.614 -5.555 1.00 0.00 C ATOM 374 O SER A 22 1.791 15.236 -5.280 1.00 0.00 O ATOM 375 CB SER A 22 3.676 17.817 -4.610 1.00 0.00 C ATOM 376 OG SER A 22 2.630 18.332 -3.791 1.00 0.00 O ATOM 0 H SER A 22 5.779 16.524 -5.141 1.00 0.00 H new ATOM 0 HA SER A 22 3.449 16.003 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.621 18.279 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.490 18.089 -5.649 1.00 0.00 H new ATOM 0 HG SER A 22 2.586 19.306 -3.890 1.00 0.00 H new ATOM 382 N GLN A 23 3.499 15.476 -6.743 1.00 0.00 N ATOM 383 CA GLN A 23 2.791 14.846 -7.844 1.00 0.00 C ATOM 384 C GLN A 23 2.660 13.341 -7.599 1.00 0.00 C ATOM 385 O GLN A 23 1.567 12.786 -7.696 1.00 0.00 O ATOM 386 CB GLN A 23 3.489 15.126 -9.177 1.00 0.00 C ATOM 387 CG GLN A 23 4.179 13.868 -9.709 1.00 0.00 C ATOM 388 CD GLN A 23 4.720 14.096 -11.122 1.00 0.00 C ATOM 389 OE1 GLN A 23 5.884 13.872 -11.412 1.00 0.00 O ATOM 390 NE2 GLN A 23 3.814 14.552 -11.981 1.00 0.00 N ATOM 0 H GLN A 23 4.443 15.790 -6.967 1.00 0.00 H new ATOM 0 HA GLN A 23 1.790 15.274 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.760 15.481 -9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.224 15.921 -9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.996 13.588 -9.044 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.474 13.037 -9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.856 14.718 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.076 14.736 -12.949 1.00 0.00 H new ATOM 399 N VAL A 24 3.790 12.725 -7.286 1.00 0.00 N ATOM 400 CA VAL A 24 3.815 11.295 -7.027 1.00 0.00 C ATOM 401 C VAL A 24 2.657 10.930 -6.097 1.00 0.00 C ATOM 402 O VAL A 24 1.912 9.989 -6.367 1.00 0.00 O ATOM 403 CB VAL A 24 5.181 10.889 -6.469 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.567 11.763 -5.275 1.00 0.00 C ATOM 405 CG2 VAL A 24 5.200 9.406 -6.092 1.00 0.00 C ATOM 0 H VAL A 24 4.695 13.189 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 24 3.677 10.736 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 24 5.923 11.045 -7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.542 11.454 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.613 12.806 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.821 11.653 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.182 9.143 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.441 9.214 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.990 8.803 -6.976 1.00 0.00 H new ATOM 415 N LEU A 25 2.541 11.693 -5.020 1.00 0.00 N ATOM 416 CA LEU A 25 1.485 11.461 -4.048 1.00 0.00 C ATOM 417 C LEU A 25 0.138 11.403 -4.770 1.00 0.00 C ATOM 418 O LEU A 25 -0.665 10.505 -4.521 1.00 0.00 O ATOM 419 CB LEU A 25 1.542 12.510 -2.936 1.00 0.00 C ATOM 420 CG LEU A 25 2.788 12.479 -2.048 1.00 0.00 C ATOM 421 CD1 LEU A 25 2.983 13.816 -1.330 1.00 0.00 C ATOM 422 CD2 LEU A 25 2.734 11.305 -1.068 1.00 0.00 C ATOM 0 H LEU A 25 3.161 12.472 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 25 1.625 10.499 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.469 13.498 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.665 12.386 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 25 3.658 12.326 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.875 13.767 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.099 14.611 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.114 14.024 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.631 11.306 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.854 11.402 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.678 10.369 -1.624 1.00 0.00 H new ATOM 434 N LEU A 26 -0.069 12.372 -5.650 1.00 0.00 N ATOM 435 CA LEU A 26 -1.306 12.441 -6.409 1.00 0.00 C ATOM 436 C LEU A 26 -1.397 11.231 -7.340 1.00 0.00 C ATOM 437 O LEU A 26 -2.427 10.561 -7.396 1.00 0.00 O ATOM 438 CB LEU A 26 -1.415 13.784 -7.134 1.00 0.00 C ATOM 439 CG LEU A 26 -2.148 14.896 -6.380 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.632 14.562 -6.218 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.475 15.183 -5.037 1.00 0.00 C ATOM 0 H LEU A 26 0.599 13.115 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.166 12.394 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.408 14.132 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.923 13.621 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.086 15.809 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.130 15.368 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.088 14.447 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.737 13.633 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.015 15.977 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.485 14.281 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.445 15.496 -5.206 1.00 0.00 H new ATOM 453 N GLU A 27 -0.304 10.986 -8.049 1.00 0.00 N ATOM 454 CA GLU A 27 -0.247 9.868 -8.975 1.00 0.00 C ATOM 455 C GLU A 27 -0.700 8.581 -8.282 1.00 0.00 C ATOM 456 O GLU A 27 -1.641 7.929 -8.731 1.00 0.00 O ATOM 457 CB GLU A 27 1.158 9.711 -9.559 1.00 0.00 C ATOM 458 CG GLU A 27 1.513 10.894 -10.461 1.00 0.00 C ATOM 459 CD GLU A 27 1.759 10.434 -11.899 1.00 0.00 C ATOM 460 OE1 GLU A 27 0.857 9.759 -12.441 1.00 0.00 O ATOM 461 OE2 GLU A 27 2.844 10.766 -12.424 1.00 0.00 O ATOM 0 H GLU A 27 0.549 11.543 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.928 10.071 -9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.885 9.635 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.217 8.784 -10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.705 11.625 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.403 11.393 -10.078 1.00 0.00 H new ATOM 468 N TYR A 28 -0.010 8.256 -7.199 1.00 0.00 N ATOM 469 CA TYR A 28 -0.330 7.059 -6.440 1.00 0.00 C ATOM 470 C TYR A 28 -1.844 6.878 -6.313 1.00 0.00 C ATOM 471 O TYR A 28 -2.388 5.855 -6.726 1.00 0.00 O ATOM 472 CB TYR A 28 0.265 7.272 -5.047 1.00 0.00 C ATOM 473 CG TYR A 28 1.761 6.964 -4.955 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.510 6.830 -6.107 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.362 6.821 -3.721 1.00 0.00 C ATOM 476 CE1 TYR A 28 3.918 6.541 -6.020 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.770 6.531 -3.635 1.00 0.00 C ATOM 478 CZ TYR A 28 4.478 6.406 -4.789 1.00 0.00 C ATOM 479 OH TYR A 28 5.808 6.132 -4.707 1.00 0.00 O ATOM 0 H TYR A 28 0.769 8.800 -6.829 1.00 0.00 H new ATOM 0 HA TYR A 28 0.069 6.173 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.098 8.306 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.269 6.643 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.040 6.942 -7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.776 6.927 -2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.516 6.434 -6.913 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.253 6.415 -2.676 1.00 0.00 H new ATOM 0 HH TYR A 28 5.966 5.200 -4.965 1.00 0.00 H new ATOM 489 N ALA A 29 -2.482 7.888 -5.739 1.00 0.00 N ATOM 490 CA ALA A 29 -3.922 7.854 -5.553 1.00 0.00 C ATOM 491 C ALA A 29 -4.597 7.508 -6.882 1.00 0.00 C ATOM 492 O ALA A 29 -5.604 6.803 -6.906 1.00 0.00 O ATOM 493 CB ALA A 29 -4.397 9.195 -4.990 1.00 0.00 C ATOM 0 H ALA A 29 -2.028 8.735 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.197 7.083 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.478 9.169 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.912 9.380 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.140 9.993 -5.686 1.00 0.00 H new ATOM 499 N ALA A 30 -4.014 8.021 -7.956 1.00 0.00 N ATOM 500 CA ALA A 30 -4.545 7.776 -9.285 1.00 0.00 C ATOM 501 C ALA A 30 -4.340 6.304 -9.649 1.00 0.00 C ATOM 502 O ALA A 30 -5.077 5.753 -10.464 1.00 0.00 O ATOM 503 CB ALA A 30 -3.878 8.722 -10.285 1.00 0.00 C ATOM 0 H ALA A 30 -3.178 8.606 -7.932 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.616 7.976 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.277 8.537 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.079 9.754 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.802 8.549 -10.287 1.00 0.00 H new ATOM 509 N LYS A 31 -3.333 5.709 -9.025 1.00 0.00 N ATOM 510 CA LYS A 31 -3.021 4.312 -9.273 1.00 0.00 C ATOM 511 C LYS A 31 -3.682 3.448 -8.197 1.00 0.00 C ATOM 512 O LYS A 31 -3.166 2.388 -7.844 1.00 0.00 O ATOM 513 CB LYS A 31 -1.507 4.112 -9.379 1.00 0.00 C ATOM 514 CG LYS A 31 -0.962 4.723 -10.671 1.00 0.00 C ATOM 515 CD LYS A 31 -0.218 6.030 -10.387 1.00 0.00 C ATOM 516 CE LYS A 31 1.249 5.928 -10.808 1.00 0.00 C ATOM 517 NZ LYS A 31 1.360 5.828 -12.280 1.00 0.00 N ATOM 0 H LYS A 31 -2.723 6.169 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.429 3.994 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.015 4.570 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.274 3.048 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.290 4.016 -11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.783 4.910 -11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.698 6.849 -10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.280 6.264 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.796 6.802 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.707 5.055 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.334 6.047 -12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.118 4.863 -12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.706 6.504 -12.724 1.00 0.00 H new ATOM 531 N VAL A 32 -4.812 3.933 -7.706 1.00 0.00 N ATOM 532 CA VAL A 32 -5.549 3.218 -6.678 1.00 0.00 C ATOM 533 C VAL A 32 -6.944 2.872 -7.203 1.00 0.00 C ATOM 534 O VAL A 32 -7.837 3.719 -7.208 1.00 0.00 O ATOM 535 CB VAL A 32 -5.583 4.042 -5.389 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.555 3.436 -4.376 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.182 4.180 -4.790 1.00 0.00 C ATOM 0 H VAL A 32 -5.236 4.813 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.051 2.279 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.940 5.041 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.560 4.041 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.558 3.414 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.241 2.421 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.234 4.770 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.785 3.191 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.528 4.678 -5.506 1.00 0.00 H new ATOM 547 N PRO A 33 -7.092 1.594 -7.643 1.00 0.00 N ATOM 548 CA PRO A 33 -8.363 1.126 -8.169 1.00 0.00 C ATOM 549 C PRO A 33 -9.370 0.891 -7.041 1.00 0.00 C ATOM 550 O PRO A 33 -8.985 0.730 -5.884 1.00 0.00 O ATOM 551 CB PRO A 33 -8.028 -0.140 -8.940 1.00 0.00 C ATOM 552 CG PRO A 33 -6.667 -0.588 -8.434 1.00 0.00 C ATOM 553 CD PRO A 33 -6.057 0.565 -7.653 1.00 0.00 C ATOM 0 HA PRO A 33 -8.844 1.857 -8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.780 -0.911 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.002 0.051 -10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.767 -1.468 -7.799 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.023 -0.867 -9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.791 0.261 -6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.144 0.926 -8.127 1.00 0.00 H new ATOM 561 N PRO A 34 -10.674 0.877 -7.428 1.00 0.00 N ATOM 562 CA PRO A 34 -11.739 0.664 -6.463 1.00 0.00 C ATOM 563 C PRO A 34 -11.812 -0.806 -6.043 1.00 0.00 C ATOM 564 O PRO A 34 -11.373 -1.688 -6.779 1.00 0.00 O ATOM 565 CB PRO A 34 -13.002 1.147 -7.157 1.00 0.00 C ATOM 566 CG PRO A 34 -12.675 1.178 -8.641 1.00 0.00 C ATOM 567 CD PRO A 34 -11.167 1.064 -8.790 1.00 0.00 C ATOM 0 HA PRO A 34 -11.579 1.209 -5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.839 0.478 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.291 2.136 -6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.173 0.358 -9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.034 2.103 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.894 0.224 -9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.745 1.960 -9.245 1.00 0.00 H new ATOM 575 N PRO A 35 -12.384 -1.029 -4.830 1.00 0.00 N ATOM 576 CA PRO A 35 -12.521 -2.376 -4.303 1.00 0.00 C ATOM 577 C PRO A 35 -13.647 -3.131 -5.012 1.00 0.00 C ATOM 578 O PRO A 35 -14.544 -2.517 -5.588 1.00 0.00 O ATOM 579 CB PRO A 35 -12.773 -2.194 -2.815 1.00 0.00 C ATOM 580 CG PRO A 35 -13.230 -0.754 -2.644 1.00 0.00 C ATOM 581 CD PRO A 35 -12.915 -0.009 -3.931 1.00 0.00 C ATOM 0 HA PRO A 35 -11.633 -2.985 -4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.533 -2.890 -2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.868 -2.388 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.299 -0.715 -2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.721 -0.290 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.808 0.459 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.189 0.786 -3.761 1.00 0.00 H new ATOM 589 N PRO A 36 -13.562 -4.487 -4.945 1.00 0.00 N ATOM 590 CA PRO A 36 -14.563 -5.332 -5.574 1.00 0.00 C ATOM 591 C PRO A 36 -15.861 -5.339 -4.764 1.00 0.00 C ATOM 592 O PRO A 36 -15.858 -5.019 -3.576 1.00 0.00 O ATOM 593 CB PRO A 36 -13.915 -6.703 -5.670 1.00 0.00 C ATOM 594 CG PRO A 36 -12.763 -6.691 -4.679 1.00 0.00 C ATOM 595 CD PRO A 36 -12.514 -5.248 -4.272 1.00 0.00 C ATOM 0 HA PRO A 36 -14.856 -4.975 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.629 -7.490 -5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.558 -6.896 -6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.004 -7.298 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.868 -7.121 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.569 -5.127 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.523 -4.915 -4.580 1.00 0.00 H new ATOM 603 N PRO A 37 -16.969 -5.716 -5.457 1.00 0.00 N ATOM 604 CA PRO A 37 -18.271 -5.769 -4.815 1.00 0.00 C ATOM 605 C PRO A 37 -18.383 -6.992 -3.903 1.00 0.00 C ATOM 606 O PRO A 37 -18.119 -8.115 -4.329 1.00 0.00 O ATOM 607 CB PRO A 37 -19.272 -5.787 -5.959 1.00 0.00 C ATOM 608 CG PRO A 37 -18.490 -6.212 -7.191 1.00 0.00 C ATOM 609 CD PRO A 37 -17.010 -6.101 -6.865 1.00 0.00 C ATOM 0 HA PRO A 37 -18.452 -4.918 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -20.086 -6.482 -5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.720 -4.804 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.744 -7.235 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.742 -5.578 -8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.496 -7.047 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.521 -5.357 -7.494 1.00 0.00 H new ATOM 617 N GLY A 38 -18.775 -6.732 -2.664 1.00 0.00 N ATOM 618 CA GLY A 38 -18.926 -7.797 -1.687 1.00 0.00 C ATOM 619 C GLY A 38 -17.889 -7.666 -0.569 1.00 0.00 C ATOM 620 O GLY A 38 -18.163 -8.012 0.579 1.00 0.00 O ATOM 0 H GLY A 38 -18.993 -5.799 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.930 -7.767 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.817 -8.764 -2.178 1.00 0.00 H new ATOM 624 N VAL A 39 -16.721 -7.165 -0.944 1.00 0.00 N ATOM 625 CA VAL A 39 -15.643 -6.984 0.013 1.00 0.00 C ATOM 626 C VAL A 39 -16.065 -5.954 1.062 1.00 0.00 C ATOM 627 O VAL A 39 -16.525 -4.866 0.718 1.00 0.00 O ATOM 628 CB VAL A 39 -14.354 -6.601 -0.717 1.00 0.00 C ATOM 629 CG1 VAL A 39 -13.332 -6.003 0.252 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.768 -7.802 -1.461 1.00 0.00 C ATOM 0 H VAL A 39 -16.498 -6.879 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.438 -7.917 0.538 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.601 -5.838 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.425 -5.739 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.750 -5.109 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.092 -6.734 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.853 -7.503 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.544 -8.597 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -14.490 -8.164 -2.193 1.00 0.00 H new ATOM 640 N GLU A 40 -15.895 -6.333 2.320 1.00 0.00 N ATOM 641 CA GLU A 40 -16.252 -5.455 3.421 1.00 0.00 C ATOM 642 C GLU A 40 -15.011 -4.733 3.949 1.00 0.00 C ATOM 643 O GLU A 40 -14.070 -5.370 4.417 1.00 0.00 O ATOM 644 CB GLU A 40 -16.950 -6.233 4.538 1.00 0.00 C ATOM 645 CG GLU A 40 -16.920 -5.451 5.853 1.00 0.00 C ATOM 646 CD GLU A 40 -18.150 -5.767 6.707 1.00 0.00 C ATOM 647 OE1 GLU A 40 -18.259 -6.936 7.134 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.953 -4.831 6.913 1.00 0.00 O ATOM 0 H GLU A 40 -15.515 -7.237 2.601 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.953 -4.707 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.983 -6.435 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.462 -7.198 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.015 -5.699 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.883 -4.382 5.644 1.00 0.00 H new ATOM 655 N LEU A 41 -15.050 -3.411 3.855 1.00 0.00 N ATOM 656 CA LEU A 41 -13.940 -2.595 4.317 1.00 0.00 C ATOM 657 C LEU A 41 -14.305 -1.959 5.659 1.00 0.00 C ATOM 658 O LEU A 41 -15.466 -1.635 5.901 1.00 0.00 O ATOM 659 CB LEU A 41 -13.538 -1.581 3.244 1.00 0.00 C ATOM 660 CG LEU A 41 -13.072 -2.165 1.909 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.117 -1.937 0.816 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.701 -1.611 1.517 1.00 0.00 C ATOM 0 H LEU A 41 -15.833 -2.885 3.466 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.057 -3.212 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.389 -0.926 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.739 -0.957 3.644 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.961 -3.243 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.761 -2.362 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.052 -2.419 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.284 -0.867 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.393 -2.042 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.760 -0.527 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.971 -1.869 2.285 1.00 0.00 H new ATOM 674 N GLU A 42 -13.291 -1.799 6.497 1.00 0.00 N ATOM 675 CA GLU A 42 -13.490 -1.207 7.809 1.00 0.00 C ATOM 676 C GLU A 42 -12.989 0.238 7.821 1.00 0.00 C ATOM 677 O GLU A 42 -11.813 0.493 7.564 1.00 0.00 O ATOM 678 CB GLU A 42 -12.801 -2.036 8.895 1.00 0.00 C ATOM 679 CG GLU A 42 -13.576 -1.968 10.212 1.00 0.00 C ATOM 680 CD GLU A 42 -13.458 -3.282 10.986 1.00 0.00 C ATOM 681 OE1 GLU A 42 -12.373 -3.896 10.900 1.00 0.00 O ATOM 682 OE2 GLU A 42 -14.456 -3.642 11.648 1.00 0.00 O ATOM 0 H GLU A 42 -12.329 -2.069 6.293 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.558 -1.202 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.721 -3.073 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.786 -1.670 9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.195 -1.148 10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.625 -1.754 10.010 1.00 0.00 H new ATOM 689 N ARG A 43 -13.906 1.146 8.122 1.00 0.00 N ATOM 690 CA ARG A 43 -13.571 2.559 8.171 1.00 0.00 C ATOM 691 C ARG A 43 -12.425 2.800 9.155 1.00 0.00 C ATOM 692 O ARG A 43 -12.302 2.094 10.155 1.00 0.00 O ATOM 693 CB ARG A 43 -14.780 3.397 8.592 1.00 0.00 C ATOM 694 CG ARG A 43 -14.357 4.815 8.980 1.00 0.00 C ATOM 695 CD ARG A 43 -15.508 5.804 8.785 1.00 0.00 C ATOM 696 NE ARG A 43 -16.639 5.444 9.669 1.00 0.00 N ATOM 697 CZ ARG A 43 -17.717 6.216 9.863 1.00 0.00 C ATOM 698 NH1 ARG A 43 -17.816 7.397 9.237 1.00 0.00 N ATOM 699 NH2 ARG A 43 -18.695 5.809 10.683 1.00 0.00 N ATOM 0 H ARG A 43 -14.880 0.931 8.334 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.264 2.861 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.500 3.439 7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.282 2.920 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.033 4.830 10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.503 5.122 8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.170 6.816 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.832 5.797 7.744 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.595 4.552 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.071 7.708 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.636 7.985 9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.620 4.911 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.515 6.397 10.830 1.00 0.00 H new ATOM 713 N VAL A 44 -11.614 3.799 8.837 1.00 0.00 N ATOM 714 CA VAL A 44 -10.482 4.141 9.681 1.00 0.00 C ATOM 715 C VAL A 44 -10.813 5.400 10.485 1.00 0.00 C ATOM 716 O VAL A 44 -10.578 6.515 10.022 1.00 0.00 O ATOM 717 CB VAL A 44 -9.220 4.290 8.828 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.111 4.998 9.610 1.00 0.00 C ATOM 719 CG2 VAL A 44 -8.745 2.931 8.310 1.00 0.00 C ATOM 0 H VAL A 44 -11.719 4.382 8.007 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.283 3.342 10.396 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.469 4.908 7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.225 5.091 8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.451 5.990 9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.865 4.418 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.847 3.065 7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.521 2.278 9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.528 2.480 7.700 1.00 0.00 H new ATOM 729 N HIS A 45 -11.353 5.179 11.674 1.00 0.00 N ATOM 730 CA HIS A 45 -11.718 6.282 12.547 1.00 0.00 C ATOM 731 C HIS A 45 -10.470 7.094 12.898 1.00 0.00 C ATOM 732 O HIS A 45 -10.532 8.317 13.014 1.00 0.00 O ATOM 733 CB HIS A 45 -12.462 5.774 13.783 1.00 0.00 C ATOM 734 CG HIS A 45 -13.965 5.878 13.682 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.696 5.236 12.697 1.00 0.00 N ATOM 736 CD2 HIS A 45 -14.865 6.553 14.452 1.00 0.00 C ATOM 737 CE1 HIS A 45 -15.977 5.520 12.876 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.080 6.337 13.963 1.00 0.00 N ATOM 0 H HIS A 45 -11.547 4.252 12.054 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.408 6.948 12.028 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.191 4.732 13.955 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.127 6.338 14.653 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -14.629 7.160 15.313 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.796 5.167 12.268 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -16.948 6.719 14.339 1.00 0.00 H new ATOM 746 N GLU A 46 -9.364 6.381 13.057 1.00 0.00 N ATOM 747 CA GLU A 46 -8.103 7.020 13.392 1.00 0.00 C ATOM 748 C GLU A 46 -7.819 8.173 12.428 1.00 0.00 C ATOM 749 O GLU A 46 -7.049 9.078 12.745 1.00 0.00 O ATOM 750 CB GLU A 46 -6.957 6.007 13.388 1.00 0.00 C ATOM 751 CG GLU A 46 -5.873 6.401 14.393 1.00 0.00 C ATOM 752 CD GLU A 46 -6.035 5.631 15.705 1.00 0.00 C ATOM 753 OE1 GLU A 46 -7.175 5.618 16.218 1.00 0.00 O ATOM 754 OE2 GLU A 46 -5.016 5.073 16.166 1.00 0.00 O ATOM 0 H GLU A 46 -9.315 5.367 12.960 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.181 7.427 14.400 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.342 5.017 13.632 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.526 5.944 12.389 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.889 6.201 13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.924 7.472 14.587 1.00 0.00 H new ATOM 761 N CYS A 47 -8.457 8.104 11.269 1.00 0.00 N ATOM 762 CA CYS A 47 -8.283 9.130 10.256 1.00 0.00 C ATOM 763 C CYS A 47 -9.528 10.019 10.253 1.00 0.00 C ATOM 764 O CYS A 47 -10.592 9.604 10.710 1.00 0.00 O ATOM 765 CB CYS A 47 -8.011 8.525 8.877 1.00 0.00 C ATOM 766 SG CYS A 47 -7.554 9.843 7.693 1.00 0.00 S ATOM 0 H CYS A 47 -9.096 7.352 11.009 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.407 9.733 10.494 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.208 7.791 8.945 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.896 7.997 8.522 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.323 9.318 6.527 1.00 0.00 H new ATOM 772 N GLN A 48 -9.355 11.225 9.733 1.00 0.00 N ATOM 773 CA GLN A 48 -10.451 12.176 9.665 1.00 0.00 C ATOM 774 C GLN A 48 -11.550 11.654 8.736 1.00 0.00 C ATOM 775 O GLN A 48 -12.619 11.256 9.195 1.00 0.00 O ATOM 776 CB GLN A 48 -9.958 13.551 9.211 1.00 0.00 C ATOM 777 CG GLN A 48 -9.831 14.507 10.398 1.00 0.00 C ATOM 778 CD GLN A 48 -8.669 15.481 10.196 1.00 0.00 C ATOM 779 OE1 GLN A 48 -7.510 15.157 10.399 1.00 0.00 O ATOM 780 NE2 GLN A 48 -9.041 16.690 9.786 1.00 0.00 N ATOM 0 H GLN A 48 -8.471 11.566 9.354 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.870 12.289 10.665 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.992 13.450 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -10.650 13.966 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.760 15.064 10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.677 13.937 11.314 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.029 16.896 9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.339 17.412 9.623 1.00 0.00 H new ATOM 789 N THR A 49 -11.247 11.671 7.446 1.00 0.00 N ATOM 790 CA THR A 49 -12.195 11.205 6.449 1.00 0.00 C ATOM 791 C THR A 49 -12.466 9.710 6.628 1.00 0.00 C ATOM 792 O THR A 49 -11.650 8.993 7.206 1.00 0.00 O ATOM 793 CB THR A 49 -11.642 11.560 5.067 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.418 10.835 4.986 1.00 0.00 O ATOM 795 CG2 THR A 49 -11.214 13.026 4.967 1.00 0.00 C ATOM 0 H THR A 49 -10.358 12.000 7.069 1.00 0.00 H new ATOM 0 HA THR A 49 -13.162 11.695 6.564 1.00 0.00 H new ATOM 0 HB THR A 49 -12.396 11.349 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.390 10.334 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.829 13.225 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.072 13.670 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.435 13.229 5.702 1.00 0.00 H new ATOM 803 N PRO A 50 -13.645 9.272 6.110 1.00 0.00 N ATOM 804 CA PRO A 50 -14.033 7.876 6.207 1.00 0.00 C ATOM 805 C PRO A 50 -13.240 7.016 5.221 1.00 0.00 C ATOM 806 O PRO A 50 -13.757 6.631 4.173 1.00 0.00 O ATOM 807 CB PRO A 50 -15.529 7.863 5.937 1.00 0.00 C ATOM 808 CG PRO A 50 -15.838 9.180 5.244 1.00 0.00 C ATOM 809 CD PRO A 50 -14.635 10.093 5.420 1.00 0.00 C ATOM 0 HA PRO A 50 -13.815 7.446 7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.805 7.016 5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.093 7.768 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.041 9.016 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.730 9.637 5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.259 10.442 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.891 10.978 6.003 1.00 0.00 H new ATOM 817 N PHE A 51 -11.998 6.740 5.591 1.00 0.00 N ATOM 818 CA PHE A 51 -11.129 5.933 4.751 1.00 0.00 C ATOM 819 C PHE A 51 -11.198 4.457 5.150 1.00 0.00 C ATOM 820 O PHE A 51 -10.642 4.060 6.173 1.00 0.00 O ATOM 821 CB PHE A 51 -9.702 6.441 4.966 1.00 0.00 C ATOM 822 CG PHE A 51 -8.626 5.562 4.326 1.00 0.00 C ATOM 823 CD1 PHE A 51 -8.927 4.801 3.239 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.368 5.543 4.842 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.928 3.986 2.645 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.369 4.727 4.248 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.670 3.966 3.162 1.00 0.00 C ATOM 0 H PHE A 51 -11.573 7.061 6.461 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.437 6.015 3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.621 7.450 4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.510 6.511 6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.926 4.817 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.129 6.149 5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.167 3.382 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.370 4.711 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.910 3.346 2.710 1.00 0.00 H new ATOM 837 N PHE A 52 -11.885 3.685 4.321 1.00 0.00 N ATOM 838 CA PHE A 52 -12.033 2.262 4.574 1.00 0.00 C ATOM 839 C PHE A 52 -10.899 1.468 3.923 1.00 0.00 C ATOM 840 O PHE A 52 -10.455 1.799 2.825 1.00 0.00 O ATOM 841 CB PHE A 52 -13.363 1.833 3.951 1.00 0.00 C ATOM 842 CG PHE A 52 -14.477 2.874 4.083 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.160 2.994 5.253 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.783 3.680 3.031 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.193 3.960 5.375 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.816 4.646 3.154 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.500 4.766 4.323 1.00 0.00 C ATOM 0 H PHE A 52 -12.345 4.018 3.474 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.005 2.070 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.205 1.617 2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.690 0.905 4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.917 2.355 6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.240 3.585 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.736 4.055 6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -16.059 5.286 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.286 5.500 4.416 1.00 0.00 H new ATOM 857 N VAL A 53 -10.462 0.435 4.628 1.00 0.00 N ATOM 858 CA VAL A 53 -9.388 -0.409 4.133 1.00 0.00 C ATOM 859 C VAL A 53 -9.746 -1.877 4.374 1.00 0.00 C ATOM 860 O VAL A 53 -10.634 -2.181 5.170 1.00 0.00 O ATOM 861 CB VAL A 53 -8.062 -0.003 4.779 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.760 1.476 4.526 1.00 0.00 C ATOM 863 CG2 VAL A 53 -8.065 -0.314 6.277 1.00 0.00 C ATOM 0 H VAL A 53 -10.832 0.163 5.539 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.264 -0.277 3.058 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.269 -0.591 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.812 1.739 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.696 1.656 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.557 2.088 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.111 -0.016 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.872 0.235 6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.214 -1.383 6.426 1.00 0.00 H new ATOM 873 N HIS A 54 -9.036 -2.749 3.673 1.00 0.00 N ATOM 874 CA HIS A 54 -9.268 -4.178 3.801 1.00 0.00 C ATOM 875 C HIS A 54 -8.063 -4.944 3.252 1.00 0.00 C ATOM 876 O HIS A 54 -7.663 -4.741 2.107 1.00 0.00 O ATOM 877 CB HIS A 54 -10.582 -4.578 3.128 1.00 0.00 C ATOM 878 CG HIS A 54 -10.886 -6.055 3.204 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.927 -6.568 3.958 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.277 -7.122 2.612 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.934 -7.886 3.820 1.00 0.00 C ATOM 882 NE2 HIS A 54 -10.910 -8.227 2.985 1.00 0.00 N ATOM 0 H HIS A 54 -8.300 -2.494 3.015 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.373 -4.440 4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.399 -4.025 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.548 -4.278 2.081 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -12.578 -6.024 4.524 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.424 -7.076 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.628 -8.570 4.286 1.00 0.00 H new ATOM 890 N ALA A 55 -7.518 -5.809 4.095 1.00 0.00 N ATOM 891 CA ALA A 55 -6.367 -6.607 3.709 1.00 0.00 C ATOM 892 C ALA A 55 -6.738 -8.090 3.765 1.00 0.00 C ATOM 893 O ALA A 55 -7.269 -8.564 4.768 1.00 0.00 O ATOM 894 CB ALA A 55 -5.183 -6.268 4.617 1.00 0.00 C ATOM 0 H ALA A 55 -7.853 -5.975 5.044 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.069 -6.380 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.319 -6.867 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.940 -5.210 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.445 -6.486 5.653 1.00 0.00 H new ATOM 900 N ASP A 56 -6.444 -8.782 2.674 1.00 0.00 N ATOM 901 CA ASP A 56 -6.740 -10.202 2.586 1.00 0.00 C ATOM 902 C ASP A 56 -5.552 -10.928 1.952 1.00 0.00 C ATOM 903 O ASP A 56 -4.593 -10.293 1.516 1.00 0.00 O ATOM 904 CB ASP A 56 -7.970 -10.455 1.711 1.00 0.00 C ATOM 905 CG ASP A 56 -9.222 -10.898 2.470 1.00 0.00 C ATOM 906 OD1 ASP A 56 -9.136 -10.971 3.714 1.00 0.00 O ATOM 907 OD2 ASP A 56 -10.238 -11.153 1.787 1.00 0.00 O ATOM 0 H ASP A 56 -6.004 -8.386 1.844 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.932 -10.569 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.200 -9.542 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.722 -11.218 0.973 1.00 0.00 H new ATOM 912 N VAL A 57 -5.654 -12.249 1.921 1.00 0.00 N ATOM 913 CA VAL A 57 -4.600 -13.068 1.347 1.00 0.00 C ATOM 914 C VAL A 57 -5.199 -13.994 0.287 1.00 0.00 C ATOM 915 O VAL A 57 -5.815 -15.006 0.618 1.00 0.00 O ATOM 916 CB VAL A 57 -3.864 -13.825 2.455 1.00 0.00 C ATOM 917 CG1 VAL A 57 -2.799 -14.754 1.870 1.00 0.00 C ATOM 918 CG2 VAL A 57 -3.250 -12.855 3.467 1.00 0.00 C ATOM 0 H VAL A 57 -6.451 -12.772 2.284 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.858 -12.443 0.850 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.593 -14.441 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.291 -15.280 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.272 -15.478 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.074 -14.167 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.733 -13.419 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.541 -12.201 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.039 -12.254 3.919 1.00 0.00 H new ATOM 928 N GLU A 58 -4.997 -13.614 -0.966 1.00 0.00 N ATOM 929 CA GLU A 58 -5.509 -14.398 -2.077 1.00 0.00 C ATOM 930 C GLU A 58 -4.423 -15.334 -2.613 1.00 0.00 C ATOM 931 O GLU A 58 -3.531 -14.902 -3.342 1.00 0.00 O ATOM 932 CB GLU A 58 -6.047 -13.491 -3.186 1.00 0.00 C ATOM 933 CG GLU A 58 -7.505 -13.825 -3.509 1.00 0.00 C ATOM 934 CD GLU A 58 -7.594 -14.958 -4.533 1.00 0.00 C ATOM 935 OE1 GLU A 58 -6.849 -14.879 -5.533 1.00 0.00 O ATOM 936 OE2 GLU A 58 -8.405 -15.878 -4.292 1.00 0.00 O ATOM 0 H GLU A 58 -4.486 -12.774 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.338 -15.006 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.969 -12.448 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.437 -13.605 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.027 -14.113 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.007 -12.939 -3.897 1.00 0.00 H new ATOM 943 N GLY A 59 -4.535 -16.597 -2.230 1.00 0.00 N ATOM 944 CA GLY A 59 -3.573 -17.597 -2.663 1.00 0.00 C ATOM 945 C GLY A 59 -2.280 -17.502 -1.850 1.00 0.00 C ATOM 946 O GLY A 59 -2.098 -18.234 -0.878 1.00 0.00 O ATOM 0 H GLY A 59 -5.276 -16.951 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.003 -18.592 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.352 -17.460 -3.722 1.00 0.00 H new ATOM 950 N GLY A 60 -1.415 -16.595 -2.279 1.00 0.00 N ATOM 951 CA GLY A 60 -0.144 -16.394 -1.604 1.00 0.00 C ATOM 952 C GLY A 60 0.257 -14.918 -1.617 1.00 0.00 C ATOM 953 O GLY A 60 1.400 -14.578 -1.313 1.00 0.00 O ATOM 0 H GLY A 60 -1.569 -15.991 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.215 -16.746 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.629 -16.989 -2.091 1.00 0.00 H new ATOM 957 N LYS A 61 -0.706 -14.079 -1.971 1.00 0.00 N ATOM 958 CA LYS A 61 -0.467 -12.647 -2.028 1.00 0.00 C ATOM 959 C LYS A 61 -1.490 -11.929 -1.145 1.00 0.00 C ATOM 960 O LYS A 61 -2.536 -12.488 -0.820 1.00 0.00 O ATOM 961 CB LYS A 61 -0.459 -12.162 -3.479 1.00 0.00 C ATOM 962 CG LYS A 61 0.584 -12.918 -4.304 1.00 0.00 C ATOM 963 CD LYS A 61 0.349 -12.717 -5.802 1.00 0.00 C ATOM 964 CE LYS A 61 -0.757 -13.643 -6.313 1.00 0.00 C ATOM 965 NZ LYS A 61 -1.396 -13.071 -7.519 1.00 0.00 N ATOM 0 H LYS A 61 -1.653 -14.364 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 61 0.520 -12.409 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.447 -12.302 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.246 -11.093 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.583 -12.572 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.541 -13.981 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.077 -11.679 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.272 -12.912 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.340 -14.623 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.505 -13.791 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.144 -13.712 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.811 -12.146 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.683 -12.952 -8.267 1.00 0.00 H new ATOM 979 N VAL A 62 -1.152 -10.700 -0.782 1.00 0.00 N ATOM 980 CA VAL A 62 -2.028 -9.900 0.057 1.00 0.00 C ATOM 981 C VAL A 62 -2.885 -8.993 -0.828 1.00 0.00 C ATOM 982 O VAL A 62 -2.359 -8.254 -1.659 1.00 0.00 O ATOM 983 CB VAL A 62 -1.202 -9.125 1.086 1.00 0.00 C ATOM 984 CG1 VAL A 62 0.062 -9.897 1.468 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.856 -7.727 0.570 1.00 0.00 C ATOM 0 H VAL A 62 -0.284 -10.239 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.707 -10.540 0.621 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.808 -9.010 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.631 -9.324 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.215 -10.860 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.673 -10.058 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.269 -7.197 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.278 -7.812 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.775 -7.175 0.372 1.00 0.00 H new ATOM 995 N ARG A 63 -4.191 -9.078 -0.619 1.00 0.00 N ATOM 996 CA ARG A 63 -5.126 -8.274 -1.387 1.00 0.00 C ATOM 997 C ARG A 63 -5.370 -6.934 -0.691 1.00 0.00 C ATOM 998 O ARG A 63 -5.819 -6.897 0.453 1.00 0.00 O ATOM 999 CB ARG A 63 -6.461 -9.000 -1.564 1.00 0.00 C ATOM 1000 CG ARG A 63 -6.493 -9.777 -2.882 1.00 0.00 C ATOM 1001 CD ARG A 63 -6.463 -8.825 -4.080 1.00 0.00 C ATOM 1002 NE ARG A 63 -7.008 -9.502 -5.277 1.00 0.00 N ATOM 1003 CZ ARG A 63 -6.825 -9.070 -6.533 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -6.110 -7.961 -6.762 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -7.357 -9.748 -7.559 1.00 0.00 N ATOM 0 H ARG A 63 -4.623 -9.692 0.071 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.686 -8.102 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.620 -9.684 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.277 -8.278 -1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.640 -10.455 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.392 -10.392 -2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.047 -7.931 -3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.441 -8.499 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.557 -10.350 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.705 -7.445 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.971 -7.632 -7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.901 -10.593 -7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.218 -9.419 -8.514 1.00 0.00 H new ATOM 1019 N LEU A 64 -5.064 -5.865 -1.412 1.00 0.00 N ATOM 1020 CA LEU A 64 -5.244 -4.526 -0.878 1.00 0.00 C ATOM 1021 C LEU A 64 -6.517 -3.914 -1.466 1.00 0.00 C ATOM 1022 O LEU A 64 -6.780 -4.048 -2.660 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.990 -3.681 -1.113 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.690 -4.232 -0.523 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -2.350 -5.597 -1.126 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -1.545 -3.231 -0.689 1.00 0.00 C ATOM 0 H LEU A 64 -4.693 -5.899 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.377 -4.562 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.855 -3.558 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.162 -2.688 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.836 -4.380 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.422 -5.966 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.156 -6.300 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.230 -5.498 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.633 -3.647 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.389 -3.029 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.796 -2.303 -0.175 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.273 -3.254 -0.601 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.512 -2.621 -1.020 1.00 0.00 C ATOM 1040 C TYR A 65 -8.775 -1.346 -0.217 1.00 0.00 C ATOM 1041 O TYR A 65 -8.899 -1.393 1.006 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.622 -3.633 -0.728 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.532 -4.914 -1.559 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.478 -4.841 -2.936 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.503 -6.143 -0.931 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.393 -6.048 -3.718 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -9.417 -7.349 -1.713 1.00 0.00 C ATOM 1048 CZ TYR A 65 -9.366 -7.242 -3.068 1.00 0.00 C ATOM 1049 OH TYR A 65 -9.286 -8.381 -3.806 1.00 0.00 O ATOM 0 H TYR A 65 -7.051 -3.144 0.389 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.465 -2.345 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.591 -3.895 0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.587 -3.161 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.499 -3.879 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.545 -6.200 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.352 -6.005 -4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.394 -8.317 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.274 -9.158 -3.209 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.853 -0.237 -0.937 1.00 0.00 N ATOM 1060 CA PHE A 66 -9.100 1.049 -0.307 1.00 0.00 C ATOM 1061 C PHE A 66 -10.325 1.733 -0.918 1.00 0.00 C ATOM 1062 O PHE A 66 -10.580 1.604 -2.114 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.866 1.916 -0.563 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.585 1.382 0.082 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.496 1.280 1.435 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.536 1.008 -0.699 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -5.308 0.784 2.033 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.347 0.512 -0.100 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.258 0.411 1.253 1.00 0.00 C ATOM 0 H PHE A 66 -8.749 -0.202 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.288 0.912 0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.711 2.001 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.057 2.922 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.329 1.576 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.607 1.088 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.238 0.703 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.514 0.215 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.354 0.035 1.708 1.00 0.00 H new ATOM 1079 N HIS A 67 -11.050 2.446 -0.068 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.241 3.150 -0.509 1.00 0.00 C ATOM 1081 C HIS A 67 -12.293 4.532 0.147 1.00 0.00 C ATOM 1082 O HIS A 67 -12.439 4.640 1.364 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.496 2.318 -0.237 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.769 2.937 -0.763 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -15.143 4.239 -0.477 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.749 2.420 -1.558 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.298 4.483 -1.079 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.673 3.355 -1.748 1.00 0.00 N ATOM 0 H HIS A 67 -10.835 2.551 0.924 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.201 3.299 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.371 1.333 -0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.594 2.168 0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.770 1.420 -1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.847 5.413 -1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.522 3.247 -2.302 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.171 5.553 -0.688 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.201 6.923 -0.205 1.00 0.00 C ATOM 1098 C VAL A 68 -13.273 7.704 -0.968 1.00 0.00 C ATOM 1099 O VAL A 68 -13.175 7.876 -2.182 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.810 7.549 -0.319 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.704 8.810 0.542 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.722 6.539 0.051 1.00 0.00 C ATOM 0 H VAL A 68 -12.051 5.459 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.469 6.950 0.851 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.657 7.839 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.705 9.235 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.444 9.539 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.888 8.554 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.743 7.010 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.871 6.203 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.776 5.683 -0.622 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.299 8.168 -0.204 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.388 8.927 -0.795 1.00 0.00 C ATOM 1114 C PRO A 69 -14.945 10.353 -1.128 1.00 0.00 C ATOM 1115 O PRO A 69 -14.923 10.744 -2.294 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.506 8.877 0.234 1.00 0.00 C ATOM 1117 CG PRO A 69 -15.846 8.493 1.548 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.448 7.983 1.236 1.00 0.00 C ATOM 0 HA PRO A 69 -15.722 8.513 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.005 9.842 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.265 8.148 -0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.798 9.352 2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -16.428 7.725 2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.691 8.541 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.338 6.935 1.514 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.602 11.091 -0.083 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.161 12.466 -0.250 1.00 0.00 C ATOM 1128 C ASP A 70 -13.038 12.514 -1.287 1.00 0.00 C ATOM 1129 O ASP A 70 -12.780 13.561 -1.879 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.617 13.032 1.063 1.00 0.00 C ATOM 1131 CG ASP A 70 -14.675 13.597 2.012 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -15.489 12.785 2.502 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -14.647 14.829 2.226 1.00 0.00 O ATOM 0 H ASP A 70 -14.620 10.763 0.883 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.017 13.059 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.069 12.245 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.900 13.820 0.832 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.401 11.368 -1.477 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.312 11.266 -2.433 1.00 0.00 C ATOM 1140 C GLU A 71 -10.114 12.094 -1.963 1.00 0.00 C ATOM 1141 O GLU A 71 -9.299 12.530 -2.775 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.765 11.700 -3.828 1.00 0.00 C ATOM 1143 CG GLU A 71 -12.259 10.502 -4.641 1.00 0.00 C ATOM 1144 CD GLU A 71 -11.970 10.694 -6.132 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -10.791 10.519 -6.508 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -12.935 11.011 -6.860 1.00 0.00 O ATOM 0 H GLU A 71 -12.619 10.502 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.005 10.222 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.561 12.439 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.938 12.182 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.773 9.593 -4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.330 10.371 -4.488 1.00 0.00 H new ATOM 1153 N ALA A 72 -10.045 12.286 -0.654 1.00 0.00 N ATOM 1154 CA ALA A 72 -8.960 13.054 -0.066 1.00 0.00 C ATOM 1155 C ALA A 72 -7.642 12.664 -0.738 1.00 0.00 C ATOM 1156 O ALA A 72 -7.296 11.486 -0.796 1.00 0.00 O ATOM 1157 CB ALA A 72 -8.934 12.825 1.446 1.00 0.00 C ATOM 0 H ALA A 72 -10.723 11.923 0.016 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.111 14.121 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.120 13.401 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.882 13.145 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.781 11.765 1.651 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.925 13.704 -1.243 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.653 13.481 -1.909 1.00 0.00 C ATOM 1165 C PRO A 73 -4.551 13.168 -0.895 1.00 0.00 C ATOM 1166 O PRO A 73 -3.456 12.752 -1.272 1.00 0.00 O ATOM 1167 CB PRO A 73 -5.393 14.756 -2.695 1.00 0.00 C ATOM 1168 CG PRO A 73 -6.288 15.817 -2.077 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.305 15.113 -1.194 1.00 0.00 C ATOM 0 HA PRO A 73 -5.670 12.616 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.344 15.046 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.624 14.617 -3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.697 16.521 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.791 16.392 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.276 15.496 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.320 15.263 -1.562 1.00 0.00 H new ATOM 1177 N THR A 74 -4.878 13.380 0.371 1.00 0.00 N ATOM 1178 CA THR A 74 -3.930 13.125 1.442 1.00 0.00 C ATOM 1179 C THR A 74 -4.160 11.736 2.039 1.00 0.00 C ATOM 1180 O THR A 74 -3.230 11.114 2.551 1.00 0.00 O ATOM 1181 CB THR A 74 -4.058 14.255 2.465 1.00 0.00 C ATOM 1182 OG1 THR A 74 -5.461 14.487 2.553 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.493 15.580 1.949 1.00 0.00 C ATOM 0 H THR A 74 -5.787 13.726 0.679 1.00 0.00 H new ATOM 0 HA THR A 74 -2.905 13.118 1.070 1.00 0.00 H new ATOM 0 HB THR A 74 -3.541 13.973 3.382 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.634 15.205 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.609 16.348 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.435 15.458 1.715 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.031 15.880 1.050 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.404 11.288 1.953 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.768 9.983 2.478 1.00 0.00 C ATOM 1193 C VAL A 75 -5.539 8.922 1.399 1.00 0.00 C ATOM 1194 O VAL A 75 -4.973 7.865 1.673 1.00 0.00 O ATOM 1195 CB VAL A 75 -7.207 10.010 2.995 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -7.464 11.261 3.837 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -8.206 9.912 1.840 1.00 0.00 C ATOM 0 H VAL A 75 -6.173 11.806 1.527 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.137 9.723 3.328 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.349 9.140 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.495 11.255 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.786 11.271 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.295 12.150 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.222 9.933 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.062 10.754 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.046 8.979 1.299 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.992 9.241 0.196 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.845 8.329 -0.925 1.00 0.00 C ATOM 1209 C LYS A 76 -4.357 8.122 -1.217 1.00 0.00 C ATOM 1210 O LYS A 76 -3.895 6.988 -1.335 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.644 8.827 -2.131 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.325 7.664 -2.856 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.033 8.147 -4.123 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.262 6.991 -5.098 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.682 6.933 -5.509 1.00 0.00 N ATOM 0 H LYS A 76 -6.461 10.119 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.261 7.353 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.395 9.545 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.981 9.351 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.584 6.908 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.046 7.188 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.989 8.600 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.436 8.921 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.628 7.117 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.974 6.050 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.820 6.143 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.281 6.791 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.945 7.825 -5.975 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.648 9.237 -1.325 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.222 9.192 -1.601 1.00 0.00 C ATOM 1231 C ALA A 77 -1.593 8.031 -0.828 1.00 0.00 C ATOM 1232 O ALA A 77 -1.075 7.090 -1.427 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.591 10.540 -1.245 1.00 0.00 C ATOM 0 H ALA A 77 -4.034 10.176 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.041 9.017 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.521 10.507 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.052 11.327 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.750 10.748 -0.187 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.660 8.136 0.491 1.00 0.00 N ATOM 1240 CA PHE A 78 -1.103 7.106 1.352 1.00 0.00 C ATOM 1241 C PHE A 78 -1.529 5.712 0.886 1.00 0.00 C ATOM 1242 O PHE A 78 -0.689 4.835 0.692 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.656 7.352 2.758 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.778 6.791 3.878 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.505 7.220 4.016 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -1.281 5.863 4.736 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.320 6.700 5.056 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.466 5.343 5.776 1.00 0.00 C ATOM 1249 CZ PHE A 78 0.817 5.772 5.914 1.00 0.00 C ATOM 0 H PHE A 78 -2.091 8.918 0.984 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.014 7.150 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.777 8.425 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.648 6.907 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.904 7.956 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.300 5.522 4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.339 7.041 5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.865 4.607 6.458 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.437 5.376 6.705 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.834 5.552 0.720 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.381 4.280 0.281 1.00 0.00 C ATOM 1261 C ALA A 79 -2.585 3.776 -0.924 1.00 0.00 C ATOM 1262 O ALA A 79 -2.338 2.577 -1.053 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.870 4.445 -0.032 1.00 0.00 C ATOM 0 H ALA A 79 -3.528 6.282 0.882 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.294 3.533 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.280 3.491 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.396 4.776 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.996 5.186 -0.821 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.204 4.716 -1.777 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.441 4.382 -2.967 1.00 0.00 C ATOM 1271 C GLY A 80 0.020 4.091 -2.618 1.00 0.00 C ATOM 1272 O GLY A 80 0.697 3.350 -3.329 1.00 0.00 O ATOM 0 H GLY A 80 -2.410 5.709 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.882 3.513 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.491 5.206 -3.679 1.00 0.00 H new ATOM 1276 N LEU A 81 0.464 4.691 -1.522 1.00 0.00 N ATOM 1277 CA LEU A 81 1.832 4.506 -1.070 1.00 0.00 C ATOM 1278 C LEU A 81 1.958 3.145 -0.382 1.00 0.00 C ATOM 1279 O LEU A 81 3.007 2.506 -0.449 1.00 0.00 O ATOM 1280 CB LEU A 81 2.270 5.681 -0.193 1.00 0.00 C ATOM 1281 CG LEU A 81 3.088 5.323 1.049 1.00 0.00 C ATOM 1282 CD1 LEU A 81 4.501 4.879 0.667 1.00 0.00 C ATOM 1283 CD2 LEU A 81 3.101 6.481 2.049 1.00 0.00 C ATOM 0 H LEU A 81 -0.100 5.305 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 81 2.516 4.499 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.857 6.366 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.379 6.222 0.127 1.00 0.00 H new ATOM 0 HG LEU A 81 2.608 4.477 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.061 4.631 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.445 4.002 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.006 5.687 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.689 6.201 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.543 7.361 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.080 6.708 2.356 1.00 0.00 H new ATOM 1295 N LEU A 82 0.873 2.742 0.264 1.00 0.00 N ATOM 1296 CA LEU A 82 0.849 1.469 0.963 1.00 0.00 C ATOM 1297 C LEU A 82 0.868 0.330 -0.058 1.00 0.00 C ATOM 1298 O LEU A 82 1.664 -0.601 0.060 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.338 1.409 1.927 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.287 2.376 3.113 1.00 0.00 C ATOM 1301 CD1 LEU A 82 -1.632 2.421 3.841 1.00 0.00 C ATOM 1302 CD2 LEU A 82 0.864 2.025 4.057 1.00 0.00 C ATOM 0 H LEU A 82 0.005 3.275 0.318 1.00 0.00 H new ATOM 0 HA LEU A 82 1.740 1.358 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.250 1.605 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.415 0.393 2.315 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.094 3.378 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.569 3.115 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.408 2.754 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.879 1.426 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.878 2.727 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.727 1.013 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.809 2.085 3.517 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.016 0.441 -1.038 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.111 -0.567 -2.080 1.00 0.00 C ATOM 1316 C ARG A 83 1.061 -0.434 -3.055 1.00 0.00 C ATOM 1317 O ARG A 83 1.307 -1.331 -3.861 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.425 -0.440 -2.852 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.248 0.432 -4.097 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.600 0.761 -4.733 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.814 -0.081 -5.931 1.00 0.00 N ATOM 1322 CZ ARG A 83 -1.994 -0.101 -6.991 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -0.901 0.673 -7.007 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -2.267 -0.897 -8.034 1.00 0.00 N ATOM 0 H ARG A 83 -0.674 1.215 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.079 -1.545 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.776 -1.430 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.190 -0.008 -2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.734 1.355 -3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.618 -0.085 -4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.401 0.593 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.635 1.815 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.637 -0.684 -5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.693 1.278 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.277 0.658 -7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.099 -1.487 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.643 -0.912 -8.841 1.00 0.00 H new ATOM 1338 N GLU A 84 1.752 0.691 -2.950 1.00 0.00 N ATOM 1339 CA GLU A 84 2.892 0.953 -3.813 1.00 0.00 C ATOM 1340 C GLU A 84 3.959 -0.128 -3.625 1.00 0.00 C ATOM 1341 O GLU A 84 4.553 -0.594 -4.596 1.00 0.00 O ATOM 1342 CB GLU A 84 3.469 2.345 -3.551 1.00 0.00 C ATOM 1343 CG GLU A 84 3.142 3.300 -4.701 1.00 0.00 C ATOM 1344 CD GLU A 84 4.062 3.051 -5.899 1.00 0.00 C ATOM 1345 OE1 GLU A 84 5.293 3.074 -5.682 1.00 0.00 O ATOM 1346 OE2 GLU A 84 3.513 2.845 -7.003 1.00 0.00 O ATOM 0 H GLU A 84 1.545 1.432 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 84 2.553 0.925 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.065 2.741 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.550 2.277 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.103 3.169 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.249 4.331 -4.364 1.00 0.00 H new ATOM 1353 N GLY A 85 4.169 -0.494 -2.370 1.00 0.00 N ATOM 1354 CA GLY A 85 5.154 -1.511 -2.042 1.00 0.00 C ATOM 1355 C GLY A 85 4.562 -2.567 -1.107 1.00 0.00 C ATOM 1356 O GLY A 85 5.162 -2.906 -0.088 1.00 0.00 O ATOM 0 H GLY A 85 3.674 -0.105 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.508 -1.987 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.019 -1.046 -1.569 1.00 0.00 H new ATOM 1360 N LEU A 86 3.392 -3.059 -1.487 1.00 0.00 N ATOM 1361 CA LEU A 86 2.712 -4.070 -0.696 1.00 0.00 C ATOM 1362 C LEU A 86 1.782 -4.879 -1.601 1.00 0.00 C ATOM 1363 O LEU A 86 1.729 -6.105 -1.506 1.00 0.00 O ATOM 1364 CB LEU A 86 2.002 -3.427 0.498 1.00 0.00 C ATOM 1365 CG LEU A 86 2.894 -2.655 1.472 1.00 0.00 C ATOM 1366 CD1 LEU A 86 2.053 -1.873 2.484 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.895 -3.588 2.158 1.00 0.00 C ATOM 0 H LEU A 86 2.897 -2.776 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 86 3.432 -4.770 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.239 -2.748 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.485 -4.210 1.053 1.00 0.00 H new ATOM 0 HG LEU A 86 3.471 -1.927 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.712 -1.333 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.416 -1.163 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.432 -2.565 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.516 -3.013 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.356 -4.356 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.527 -4.060 1.406 1.00 0.00 H new ATOM 1379 N GLU A 87 1.070 -4.162 -2.458 1.00 0.00 N ATOM 1380 CA GLU A 87 0.145 -4.799 -3.380 1.00 0.00 C ATOM 1381 C GLU A 87 0.825 -5.971 -4.090 1.00 0.00 C ATOM 1382 O GLU A 87 1.817 -5.784 -4.793 1.00 0.00 O ATOM 1383 CB GLU A 87 -0.404 -3.790 -4.390 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.151 -4.498 -5.522 1.00 0.00 C ATOM 1385 CD GLU A 87 -2.578 -3.962 -5.658 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -2.707 -2.797 -6.091 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -3.507 -4.729 -5.324 1.00 0.00 O ATOM 0 H GLU A 87 1.115 -3.146 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.698 -5.186 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.075 -3.094 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.415 -3.201 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.615 -4.357 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.179 -5.570 -5.329 1.00 0.00 H new ATOM 1394 N GLY A 88 0.265 -7.153 -3.882 1.00 0.00 N ATOM 1395 CA GLY A 88 0.805 -8.356 -4.493 1.00 0.00 C ATOM 1396 C GLY A 88 1.885 -8.983 -3.609 1.00 0.00 C ATOM 1397 O GLY A 88 2.206 -10.161 -3.757 1.00 0.00 O ATOM 0 H GLY A 88 -0.558 -7.304 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.003 -9.075 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.224 -8.115 -5.470 1.00 0.00 H new ATOM 1401 N GLU A 89 2.415 -8.167 -2.710 1.00 0.00 N ATOM 1402 CA GLU A 89 3.452 -8.627 -1.802 1.00 0.00 C ATOM 1403 C GLU A 89 2.897 -9.698 -0.861 1.00 0.00 C ATOM 1404 O GLU A 89 1.709 -10.015 -0.907 1.00 0.00 O ATOM 1405 CB GLU A 89 4.049 -7.460 -1.014 1.00 0.00 C ATOM 1406 CG GLU A 89 4.544 -6.359 -1.955 1.00 0.00 C ATOM 1407 CD GLU A 89 5.609 -6.895 -2.913 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.545 -7.553 -2.411 1.00 0.00 O ATOM 1409 OE2 GLU A 89 5.463 -6.634 -4.127 1.00 0.00 O ATOM 0 H GLU A 89 2.146 -7.190 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 89 4.254 -9.070 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.299 -7.053 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.875 -7.817 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.706 -5.959 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.956 -5.535 -1.372 1.00 0.00 H new ATOM 1416 N SER A 90 3.782 -10.225 -0.028 1.00 0.00 N ATOM 1417 CA SER A 90 3.396 -11.253 0.923 1.00 0.00 C ATOM 1418 C SER A 90 2.906 -10.608 2.221 1.00 0.00 C ATOM 1419 O SER A 90 3.233 -9.457 2.508 1.00 0.00 O ATOM 1420 CB SER A 90 4.559 -12.205 1.209 1.00 0.00 C ATOM 1421 OG SER A 90 5.821 -11.552 1.100 1.00 0.00 O ATOM 0 H SER A 90 4.766 -9.959 0.008 1.00 0.00 H new ATOM 0 HA SER A 90 2.585 -11.836 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.450 -12.620 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.522 -13.042 0.512 1.00 0.00 H new ATOM 0 HG SER A 90 6.538 -12.192 1.291 1.00 0.00 H new ATOM 1427 N PRO A 91 2.110 -11.397 2.991 1.00 0.00 N ATOM 1428 CA PRO A 91 1.572 -10.915 4.252 1.00 0.00 C ATOM 1429 C PRO A 91 2.653 -10.889 5.335 1.00 0.00 C ATOM 1430 O PRO A 91 2.459 -10.298 6.396 1.00 0.00 O ATOM 1431 CB PRO A 91 0.427 -11.859 4.578 1.00 0.00 C ATOM 1432 CG PRO A 91 0.659 -13.103 3.735 1.00 0.00 C ATOM 1433 CD PRO A 91 1.702 -12.765 2.683 1.00 0.00 C ATOM 0 HA PRO A 91 1.217 -9.886 4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.413 -12.104 5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.535 -11.402 4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.000 -13.929 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.270 -13.423 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.548 -13.451 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.288 -12.838 1.677 1.00 0.00 H new ATOM 1441 N GLU A 92 3.767 -11.538 5.029 1.00 0.00 N ATOM 1442 CA GLU A 92 4.878 -11.597 5.964 1.00 0.00 C ATOM 1443 C GLU A 92 5.759 -10.354 5.820 1.00 0.00 C ATOM 1444 O GLU A 92 6.320 -9.870 6.802 1.00 0.00 O ATOM 1445 CB GLU A 92 5.696 -12.874 5.762 1.00 0.00 C ATOM 1446 CG GLU A 92 4.790 -14.107 5.734 1.00 0.00 C ATOM 1447 CD GLU A 92 5.081 -15.029 6.919 1.00 0.00 C ATOM 1448 OE1 GLU A 92 4.654 -14.669 8.037 1.00 0.00 O ATOM 1449 OE2 GLU A 92 5.725 -16.074 6.680 1.00 0.00 O ATOM 0 H GLU A 92 3.924 -12.027 4.148 1.00 0.00 H new ATOM 0 HA GLU A 92 4.475 -11.618 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.255 -12.808 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.426 -12.973 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.746 -13.796 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.938 -14.651 4.801 1.00 0.00 H new ATOM 1456 N ALA A 93 5.852 -9.872 4.590 1.00 0.00 N ATOM 1457 CA ALA A 93 6.654 -8.695 4.305 1.00 0.00 C ATOM 1458 C ALA A 93 5.847 -7.439 4.643 1.00 0.00 C ATOM 1459 O ALA A 93 6.405 -6.443 5.101 1.00 0.00 O ATOM 1460 CB ALA A 93 7.103 -8.723 2.843 1.00 0.00 C ATOM 0 H ALA A 93 5.385 -10.276 3.778 1.00 0.00 H new ATOM 0 HA ALA A 93 7.553 -8.686 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.705 -7.839 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.697 -9.619 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.228 -8.731 2.194 1.00 0.00 H new ATOM 1466 N VAL A 94 4.547 -7.528 4.403 1.00 0.00 N ATOM 1467 CA VAL A 94 3.658 -6.412 4.676 1.00 0.00 C ATOM 1468 C VAL A 94 3.603 -6.166 6.185 1.00 0.00 C ATOM 1469 O VAL A 94 3.744 -5.032 6.638 1.00 0.00 O ATOM 1470 CB VAL A 94 2.282 -6.677 4.062 1.00 0.00 C ATOM 1471 CG1 VAL A 94 2.402 -7.038 2.580 1.00 0.00 C ATOM 1472 CG2 VAL A 94 1.539 -7.769 4.834 1.00 0.00 C ATOM 0 H VAL A 94 4.088 -8.356 4.023 1.00 0.00 H new ATOM 0 HA VAL A 94 4.036 -5.501 4.212 1.00 0.00 H new ATOM 0 HB VAL A 94 1.700 -5.758 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.409 -7.221 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.871 -6.215 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.011 -7.936 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.564 -7.938 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.118 -8.692 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.405 -7.456 5.869 1.00 0.00 H new ATOM 1482 N LEU A 95 3.396 -7.248 6.921 1.00 0.00 N ATOM 1483 CA LEU A 95 3.320 -7.165 8.370 1.00 0.00 C ATOM 1484 C LEU A 95 4.603 -6.526 8.907 1.00 0.00 C ATOM 1485 O LEU A 95 4.564 -5.765 9.873 1.00 0.00 O ATOM 1486 CB LEU A 95 3.019 -8.539 8.970 1.00 0.00 C ATOM 1487 CG LEU A 95 1.541 -8.859 9.205 1.00 0.00 C ATOM 1488 CD1 LEU A 95 1.318 -10.369 9.313 1.00 0.00 C ATOM 1489 CD2 LEU A 95 1.005 -8.112 10.427 1.00 0.00 C ATOM 0 H LEU A 95 3.278 -8.187 6.541 1.00 0.00 H new ATOM 0 HA LEU A 95 2.493 -6.523 8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.435 -9.301 8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.544 -8.621 9.922 1.00 0.00 H new ATOM 0 HG LEU A 95 0.975 -8.510 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.260 -10.569 9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.637 -10.851 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.898 -10.764 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.047 -8.358 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.571 -8.407 11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.109 -7.038 10.272 1.00 0.00 H new ATOM 1501 N GLU A 96 5.709 -6.860 8.258 1.00 0.00 N ATOM 1502 CA GLU A 96 7.001 -6.329 8.659 1.00 0.00 C ATOM 1503 C GLU A 96 7.021 -4.808 8.499 1.00 0.00 C ATOM 1504 O GLU A 96 7.939 -4.142 8.977 1.00 0.00 O ATOM 1505 CB GLU A 96 8.132 -6.980 7.861 1.00 0.00 C ATOM 1506 CG GLU A 96 8.220 -8.479 8.156 1.00 0.00 C ATOM 1507 CD GLU A 96 9.389 -8.786 9.094 1.00 0.00 C ATOM 1508 OE1 GLU A 96 10.477 -8.224 8.847 1.00 0.00 O ATOM 1509 OE2 GLU A 96 9.167 -9.575 10.037 1.00 0.00 O ATOM 0 H GLU A 96 5.737 -7.492 7.458 1.00 0.00 H new ATOM 0 HA GLU A 96 7.160 -6.566 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.966 -6.825 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.079 -6.501 8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.288 -8.820 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.343 -9.030 7.224 1.00 0.00 H new ATOM 1516 N VAL A 97 5.999 -4.301 7.826 1.00 0.00 N ATOM 1517 CA VAL A 97 5.889 -2.870 7.597 1.00 0.00 C ATOM 1518 C VAL A 97 5.460 -2.183 8.895 1.00 0.00 C ATOM 1519 O VAL A 97 4.397 -2.481 9.438 1.00 0.00 O ATOM 1520 CB VAL A 97 4.934 -2.599 6.433 1.00 0.00 C ATOM 1521 CG1 VAL A 97 4.955 -1.120 6.041 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.265 -3.489 5.233 1.00 0.00 C ATOM 0 H VAL A 97 5.239 -4.856 7.432 1.00 0.00 H new ATOM 0 HA VAL A 97 6.855 -2.453 7.312 1.00 0.00 H new ATOM 0 HB VAL A 97 3.925 -2.844 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.268 -0.954 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.649 -0.513 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.964 -0.838 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.571 -3.276 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.284 -3.289 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.176 -4.536 5.521 1.00 0.00 H new ATOM 1532 N PRO A 98 6.331 -1.251 9.367 1.00 0.00 N ATOM 1533 CA PRO A 98 6.053 -0.518 10.591 1.00 0.00 C ATOM 1534 C PRO A 98 4.982 0.550 10.359 1.00 0.00 C ATOM 1535 O PRO A 98 4.737 0.952 9.223 1.00 0.00 O ATOM 1536 CB PRO A 98 7.392 0.064 11.013 1.00 0.00 C ATOM 1537 CG PRO A 98 8.271 0.029 9.774 1.00 0.00 C ATOM 1538 CD PRO A 98 7.599 -0.872 8.751 1.00 0.00 C ATOM 0 HA PRO A 98 5.644 -1.152 11.378 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.276 1.083 11.381 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.834 -0.518 11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.402 1.033 9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.264 -0.348 10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.440 -0.350 7.807 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.210 -1.748 8.532 1.00 0.00 H new ATOM 1546 N PRO A 99 4.357 0.990 11.484 1.00 0.00 N ATOM 1547 CA PRO A 99 3.318 2.004 11.414 1.00 0.00 C ATOM 1548 C PRO A 99 3.920 3.389 11.164 1.00 0.00 C ATOM 1549 O PRO A 99 3.195 4.380 11.093 1.00 0.00 O ATOM 1550 CB PRO A 99 2.584 1.906 12.741 1.00 0.00 C ATOM 1551 CG PRO A 99 3.522 1.169 13.683 1.00 0.00 C ATOM 1552 CD PRO A 99 4.621 0.537 12.846 1.00 0.00 C ATOM 0 HA PRO A 99 2.632 1.847 10.582 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.341 2.896 13.127 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.643 1.368 12.628 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.947 1.857 14.414 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.980 0.405 14.241 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.608 0.853 13.184 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.594 -0.551 12.914 1.00 0.00 H new ATOM 1560 N GLY A 100 5.238 3.412 11.038 1.00 0.00 N ATOM 1561 CA GLY A 100 5.945 4.659 10.798 1.00 0.00 C ATOM 1562 C GLY A 100 6.956 4.505 9.660 1.00 0.00 C ATOM 1563 O GLY A 100 7.918 5.267 9.572 1.00 0.00 O ATOM 0 H GLY A 100 5.835 2.587 11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.231 5.445 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.460 4.970 11.707 1.00 0.00 H new ATOM 1567 N PHE A 101 6.703 3.515 8.816 1.00 0.00 N ATOM 1568 CA PHE A 101 7.579 3.252 7.687 1.00 0.00 C ATOM 1569 C PHE A 101 7.837 4.528 6.884 1.00 0.00 C ATOM 1570 O PHE A 101 8.910 4.697 6.307 1.00 0.00 O ATOM 1571 CB PHE A 101 6.865 2.236 6.794 1.00 0.00 C ATOM 1572 CG PHE A 101 5.644 2.800 6.063 1.00 0.00 C ATOM 1573 CD1 PHE A 101 5.812 3.602 4.977 1.00 0.00 C ATOM 1574 CD2 PHE A 101 4.392 2.501 6.501 1.00 0.00 C ATOM 1575 CE1 PHE A 101 4.679 4.125 4.300 1.00 0.00 C ATOM 1576 CE2 PHE A 101 3.259 3.025 5.823 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.427 3.826 4.737 1.00 0.00 C ATOM 0 H PHE A 101 5.904 2.886 8.892 1.00 0.00 H new ATOM 0 HA PHE A 101 8.540 2.878 8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.572 1.854 6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.551 1.389 7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.807 3.841 4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.259 1.865 7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.812 4.761 3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.264 2.787 6.170 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.566 4.225 4.222 1.00 0.00 H new ATOM 1587 N TYR A 102 6.834 5.394 6.871 1.00 0.00 N ATOM 1588 CA TYR A 102 6.939 6.650 6.148 1.00 0.00 C ATOM 1589 C TYR A 102 7.885 7.617 6.863 1.00 0.00 C ATOM 1590 O TYR A 102 8.469 8.498 6.234 1.00 0.00 O ATOM 1591 CB TYR A 102 5.530 7.248 6.136 1.00 0.00 C ATOM 1592 CG TYR A 102 5.015 7.652 7.519 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.346 8.883 8.047 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.217 6.785 8.239 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.861 9.264 9.348 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.732 7.166 9.540 1.00 0.00 C ATOM 1597 CZ TYR A 102 4.077 8.386 10.030 1.00 0.00 C ATOM 1598 OH TYR A 102 3.619 8.745 11.259 1.00 0.00 O ATOM 0 H TYR A 102 5.945 5.250 7.350 1.00 0.00 H new ATOM 0 HA TYR A 102 7.332 6.484 5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.523 8.124 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.842 6.523 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.970 9.562 7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.957 5.821 7.826 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.114 10.224 9.773 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.108 6.497 10.114 1.00 0.00 H new ATOM 0 HH TYR A 102 2.663 8.538 11.325 1.00 0.00 H new ATOM 1608 N ARG A 103 8.007 7.420 8.167 1.00 0.00 N ATOM 1609 CA ARG A 103 8.872 8.263 8.974 1.00 0.00 C ATOM 1610 C ARG A 103 10.266 8.346 8.348 1.00 0.00 C ATOM 1611 O ARG A 103 10.743 7.379 7.756 1.00 0.00 O ATOM 1612 CB ARG A 103 8.992 7.724 10.401 1.00 0.00 C ATOM 1613 CG ARG A 103 7.637 7.746 11.111 1.00 0.00 C ATOM 1614 CD ARG A 103 7.813 7.883 12.625 1.00 0.00 C ATOM 1615 NE ARG A 103 7.861 9.314 13.001 1.00 0.00 N ATOM 1616 CZ ARG A 103 7.818 9.761 14.263 1.00 0.00 C ATOM 1617 NH1 ARG A 103 7.725 8.891 15.279 1.00 0.00 N ATOM 1618 NH2 ARG A 103 7.866 11.077 14.510 1.00 0.00 N ATOM 0 H ARG A 103 7.521 6.688 8.685 1.00 0.00 H new ATOM 0 HA ARG A 103 8.426 9.257 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.378 6.705 10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.710 8.324 10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.039 8.576 10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.090 6.830 10.886 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.989 7.390 13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.730 7.385 12.940 1.00 0.00 H new ATOM 0 HE ARG A 103 7.931 10.003 12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.687 7.889 15.091 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.692 9.231 16.240 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.935 11.739 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.833 11.417 15.471 1.00 0.00 H new ATOM 1632 N GLY A 104 10.880 9.510 8.501 1.00 0.00 N ATOM 1633 CA GLY A 104 12.210 9.732 7.959 1.00 0.00 C ATOM 1634 C GLY A 104 12.238 9.468 6.452 1.00 0.00 C ATOM 1635 O GLY A 104 12.667 8.402 6.013 1.00 0.00 O ATOM 0 H GLY A 104 10.481 10.310 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.521 10.757 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.925 9.079 8.460 1.00 0.00 H new ATOM 1639 N TYR A 105 11.776 10.457 5.702 1.00 0.00 N ATOM 1640 CA TYR A 105 11.742 10.345 4.253 1.00 0.00 C ATOM 1641 C TYR A 105 11.203 11.628 3.617 1.00 0.00 C ATOM 1642 O TYR A 105 11.768 12.128 2.645 1.00 0.00 O ATOM 1643 CB TYR A 105 10.785 9.194 3.941 1.00 0.00 C ATOM 1644 CG TYR A 105 11.475 7.837 3.780 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.598 7.724 2.987 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.973 6.727 4.429 1.00 0.00 C ATOM 1647 CE1 TYR A 105 13.247 6.448 2.835 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.622 5.450 4.277 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.727 5.374 3.488 1.00 0.00 C ATOM 1650 OH TYR A 105 13.340 4.168 3.345 1.00 0.00 O ATOM 0 H TYR A 105 11.422 11.340 6.070 1.00 0.00 H new ATOM 0 HA TYR A 105 12.743 10.174 3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 105 10.047 9.122 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.242 9.425 3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.990 8.593 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 105 10.094 6.816 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 105 14.127 6.346 2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 105 11.240 4.573 4.778 1.00 0.00 H new ATOM 0 HH TYR A 105 13.008 3.549 4.029 1.00 0.00 H new ATOM 1660 N GLY A 106 10.117 12.124 4.190 1.00 0.00 N ATOM 1661 CA GLY A 106 9.495 13.338 3.691 1.00 0.00 C ATOM 1662 C GLY A 106 7.989 13.333 3.958 1.00 0.00 C ATOM 1663 O GLY A 106 7.404 14.372 4.260 1.00 0.00 O ATOM 0 H GLY A 106 9.651 11.707 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.949 14.206 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.678 13.431 2.620 1.00 0.00 H new ATOM 1667 N LEU A 107 7.403 12.151 3.837 1.00 0.00 N ATOM 1668 CA LEU A 107 5.976 11.996 4.062 1.00 0.00 C ATOM 1669 C LEU A 107 5.603 12.629 5.404 1.00 0.00 C ATOM 1670 O LEU A 107 4.455 13.015 5.616 1.00 0.00 O ATOM 1671 CB LEU A 107 5.570 10.526 3.942 1.00 0.00 C ATOM 1672 CG LEU A 107 5.978 9.821 2.646 1.00 0.00 C ATOM 1673 CD1 LEU A 107 6.297 8.347 2.901 1.00 0.00 C ATOM 1674 CD2 LEU A 107 4.909 9.999 1.566 1.00 0.00 C ATOM 0 H LEU A 107 7.891 11.291 3.586 1.00 0.00 H new ATOM 0 HA LEU A 107 5.411 12.522 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 107 6.003 9.981 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.487 10.459 4.043 1.00 0.00 H new ATOM 0 HG LEU A 107 6.891 10.288 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.584 7.869 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.118 8.270 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.416 7.849 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.223 9.489 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.967 9.575 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.774 11.061 1.359 1.00 0.00 H new ATOM 1686 N GLU A 108 6.597 12.716 6.277 1.00 0.00 N ATOM 1687 CA GLU A 108 6.388 13.296 7.593 1.00 0.00 C ATOM 1688 C GLU A 108 6.186 14.808 7.481 1.00 0.00 C ATOM 1689 O GLU A 108 5.349 15.379 8.178 1.00 0.00 O ATOM 1690 CB GLU A 108 7.553 12.966 8.528 1.00 0.00 C ATOM 1691 CG GLU A 108 7.084 12.887 9.982 1.00 0.00 C ATOM 1692 CD GLU A 108 8.124 13.493 10.927 1.00 0.00 C ATOM 1693 OE1 GLU A 108 9.259 12.969 10.933 1.00 0.00 O ATOM 1694 OE2 GLU A 108 7.760 14.465 11.623 1.00 0.00 O ATOM 0 H GLU A 108 7.548 12.395 6.099 1.00 0.00 H new ATOM 0 HA GLU A 108 5.486 12.860 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.002 12.017 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.327 13.727 8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.137 13.415 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.903 11.847 10.254 1.00 0.00 H new ATOM 1701 N GLU A 109 6.967 15.414 6.599 1.00 0.00 N ATOM 1702 CA GLU A 109 6.884 16.849 6.386 1.00 0.00 C ATOM 1703 C GLU A 109 5.749 17.177 5.415 1.00 0.00 C ATOM 1704 O GLU A 109 5.394 18.342 5.240 1.00 0.00 O ATOM 1705 CB GLU A 109 8.216 17.406 5.881 1.00 0.00 C ATOM 1706 CG GLU A 109 8.334 17.255 4.363 1.00 0.00 C ATOM 1707 CD GLU A 109 8.152 18.603 3.662 1.00 0.00 C ATOM 1708 OE1 GLU A 109 9.135 19.376 3.656 1.00 0.00 O ATOM 1709 OE2 GLU A 109 7.035 18.830 3.150 1.00 0.00 O ATOM 0 H GLU A 109 7.661 14.937 6.023 1.00 0.00 H new ATOM 0 HA GLU A 109 6.667 17.326 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.301 18.458 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.040 16.884 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 109 9.309 16.838 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.584 16.550 4.005 1.00 0.00 H new ATOM 1716 N PHE A 110 5.210 16.129 4.808 1.00 0.00 N ATOM 1717 CA PHE A 110 4.122 16.292 3.859 1.00 0.00 C ATOM 1718 C PHE A 110 2.765 16.192 4.558 1.00 0.00 C ATOM 1719 O PHE A 110 2.003 17.157 4.584 1.00 0.00 O ATOM 1720 CB PHE A 110 4.244 15.156 2.841 1.00 0.00 C ATOM 1721 CG PHE A 110 4.443 15.630 1.400 1.00 0.00 C ATOM 1722 CD1 PHE A 110 3.372 16.015 0.657 1.00 0.00 C ATOM 1723 CD2 PHE A 110 5.692 15.666 0.863 1.00 0.00 C ATOM 1724 CE1 PHE A 110 3.557 16.455 -0.681 1.00 0.00 C ATOM 1725 CE2 PHE A 110 5.877 16.106 -0.474 1.00 0.00 C ATOM 1726 CZ PHE A 110 4.806 16.491 -1.218 1.00 0.00 C ATOM 0 H PHE A 110 5.507 15.164 4.955 1.00 0.00 H new ATOM 0 HA PHE A 110 4.184 17.272 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.082 14.519 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.346 14.541 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.380 15.986 1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.543 15.360 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 110 2.706 16.761 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.869 16.135 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.947 16.825 -2.235 1.00 0.00 H new ATOM 1736 N PHE A 111 2.504 15.015 5.108 1.00 0.00 N ATOM 1737 CA PHE A 111 1.252 14.776 5.805 1.00 0.00 C ATOM 1738 C PHE A 111 1.328 15.268 7.252 1.00 0.00 C ATOM 1739 O PHE A 111 2.275 14.952 7.970 1.00 0.00 O ATOM 1740 CB PHE A 111 1.021 13.264 5.805 1.00 0.00 C ATOM 1741 CG PHE A 111 0.912 12.651 4.407 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.218 12.833 3.671 1.00 0.00 C ATOM 1743 CD2 PHE A 111 1.944 11.926 3.900 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.319 12.265 2.374 1.00 0.00 C ATOM 1745 CE2 PHE A 111 1.842 11.357 2.602 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.713 11.539 1.867 1.00 0.00 C ATOM 0 H PHE A 111 3.138 14.217 5.085 1.00 0.00 H new ATOM 0 HA PHE A 111 0.442 15.311 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.840 12.782 6.339 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.107 13.046 6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.038 13.409 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.841 11.782 4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.216 12.409 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.661 10.780 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.636 11.107 0.880 1.00 0.00 H new ATOM 1756 N THR A 112 0.317 16.033 7.637 1.00 0.00 N ATOM 1757 CA THR A 112 0.257 16.572 8.985 1.00 0.00 C ATOM 1758 C THR A 112 0.383 15.447 10.015 1.00 0.00 C ATOM 1759 O THR A 112 0.099 14.289 9.712 1.00 0.00 O ATOM 1760 CB THR A 112 -1.038 17.374 9.117 1.00 0.00 C ATOM 1761 OG1 THR A 112 -2.008 16.582 8.436 1.00 0.00 O ATOM 1762 CG2 THR A 112 -1.001 18.681 8.322 1.00 0.00 C ATOM 0 H THR A 112 -0.467 16.292 7.039 1.00 0.00 H new ATOM 0 HA THR A 112 1.093 17.244 9.180 1.00 0.00 H new ATOM 0 HB THR A 112 -1.223 17.593 10.169 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.880 17.028 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.944 19.212 8.450 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.183 19.304 8.683 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.850 18.460 7.265 1.00 0.00 H new ATOM 1770 N PRO A 113 0.820 15.837 11.242 1.00 0.00 N ATOM 1771 CA PRO A 113 0.986 14.875 12.318 1.00 0.00 C ATOM 1772 C PRO A 113 -0.368 14.458 12.895 1.00 0.00 C ATOM 1773 O PRO A 113 -0.437 13.582 13.755 1.00 0.00 O ATOM 1774 CB PRO A 113 1.875 15.572 13.335 1.00 0.00 C ATOM 1775 CG PRO A 113 1.793 17.056 13.013 1.00 0.00 C ATOM 1776 CD PRO A 113 1.166 17.200 11.636 1.00 0.00 C ATOM 0 HA PRO A 113 1.441 13.943 11.982 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.535 15.374 14.352 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.902 15.214 13.266 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.195 17.576 13.761 1.00 0.00 H new ATOM 0 HG3 PRO A 113 2.786 17.506 13.029 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.284 17.839 11.668 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.862 17.652 10.929 1.00 0.00 H new ATOM 1784 N LEU A 114 -1.412 15.105 12.398 1.00 0.00 N ATOM 1785 CA LEU A 114 -2.760 14.812 12.853 1.00 0.00 C ATOM 1786 C LEU A 114 -3.337 13.666 12.020 1.00 0.00 C ATOM 1787 O LEU A 114 -3.857 12.696 12.569 1.00 0.00 O ATOM 1788 CB LEU A 114 -3.619 16.079 12.834 1.00 0.00 C ATOM 1789 CG LEU A 114 -3.293 17.126 13.901 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -4.540 17.925 14.284 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -2.630 16.480 15.119 1.00 0.00 C ATOM 0 H LEU A 114 -1.351 15.831 11.684 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.748 14.478 13.890 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.522 16.546 11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.663 15.788 12.946 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.576 17.831 13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.281 18.662 15.044 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.931 18.434 13.403 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.298 17.249 14.678 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.409 17.246 15.862 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.304 15.740 15.550 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.704 15.993 14.814 1.00 0.00 H new ATOM 1803 N ARG A 115 -3.226 13.815 10.708 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.730 12.805 9.794 1.00 0.00 C ATOM 1805 C ARG A 115 -2.840 11.561 9.835 1.00 0.00 C ATOM 1806 O ARG A 115 -3.333 10.437 9.751 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.786 13.337 8.361 1.00 0.00 C ATOM 1808 CG ARG A 115 -5.221 13.335 7.831 1.00 0.00 C ATOM 1809 CD ARG A 115 -5.243 13.196 6.308 1.00 0.00 C ATOM 1810 NE ARG A 115 -6.338 14.014 5.740 1.00 0.00 N ATOM 1811 CZ ARG A 115 -6.403 15.349 5.830 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -5.436 16.026 6.464 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -7.435 16.008 5.285 1.00 0.00 N ATOM 0 H ARG A 115 -2.794 14.621 10.256 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.740 12.544 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.384 14.350 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -3.156 12.724 7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.778 12.514 8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.721 14.258 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.287 13.514 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.379 12.150 6.032 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.090 13.531 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.650 15.525 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.486 17.042 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.171 15.493 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.484 17.024 5.354 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.544 11.804 9.965 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.581 10.717 10.018 1.00 0.00 C ATOM 1829 C LEU A 116 -1.029 9.695 11.064 1.00 0.00 C ATOM 1830 O LEU A 116 -0.984 8.490 10.819 1.00 0.00 O ATOM 1831 CB LEU A 116 0.829 11.262 10.255 1.00 0.00 C ATOM 1832 CG LEU A 116 1.680 11.489 9.003 1.00 0.00 C ATOM 1833 CD1 LEU A 116 3.023 12.127 9.362 1.00 0.00 C ATOM 1834 CD2 LEU A 116 1.854 10.189 8.216 1.00 0.00 C ATOM 0 H LEU A 116 -1.138 12.737 10.035 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.540 10.197 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.746 12.208 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.359 10.570 10.910 1.00 0.00 H new ATOM 0 HG LEU A 116 1.154 12.190 8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.608 12.278 8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.851 13.088 9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.568 11.471 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.462 10.378 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.347 9.447 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.877 9.815 7.911 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.450 10.213 12.209 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.905 9.360 13.294 1.00 0.00 C ATOM 1848 C ARG A 117 -3.007 8.420 12.802 1.00 0.00 C ATOM 1849 O ARG A 117 -3.114 7.286 13.268 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.438 10.192 14.462 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.290 10.803 15.268 1.00 0.00 C ATOM 1852 CD ARG A 117 -1.666 10.934 16.745 1.00 0.00 C ATOM 1853 NE ARG A 117 -0.447 10.905 17.583 1.00 0.00 N ATOM 1854 CZ ARG A 117 -0.442 11.095 18.910 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -1.591 11.329 19.557 1.00 0.00 N ATOM 1856 NH2 ARG A 117 0.713 11.050 19.589 1.00 0.00 N ATOM 0 H ARG A 117 -1.486 11.213 12.409 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.051 8.777 13.638 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.084 10.984 14.084 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.049 9.565 15.111 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.400 10.181 15.169 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.039 11.784 14.864 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.208 11.865 16.909 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.334 10.122 17.032 1.00 0.00 H new ATOM 0 HE ARG A 117 0.446 10.729 17.122 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -2.470 11.363 19.040 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -1.587 11.474 20.567 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.588 10.871 19.096 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.717 11.195 20.599 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.799 8.925 11.868 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.890 8.144 11.309 1.00 0.00 C ATOM 1872 C GLY A 118 -4.391 7.232 10.185 1.00 0.00 C ATOM 1873 O GLY A 118 -4.924 6.142 9.983 1.00 0.00 O ATOM 0 H GLY A 118 -3.707 9.865 11.484 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.351 7.543 12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.661 8.812 10.925 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.374 7.713 9.484 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.798 6.955 8.387 1.00 0.00 C ATOM 1879 C LEU A 119 -2.113 5.704 8.941 1.00 0.00 C ATOM 1880 O LEU A 119 -2.150 4.644 8.318 1.00 0.00 O ATOM 1881 CB LEU A 119 -1.875 7.842 7.550 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.561 8.742 6.521 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -1.534 9.560 5.735 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -3.471 7.927 5.599 1.00 0.00 C ATOM 0 H LEU A 119 -2.935 8.618 9.655 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.579 6.616 7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.298 8.472 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.165 7.202 7.027 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.195 9.450 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -2.049 10.191 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.965 10.186 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.856 8.886 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -3.946 8.591 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.878 7.181 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.237 7.428 6.192 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.503 5.869 10.106 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.810 4.767 10.751 1.00 0.00 C ATOM 1898 C GLU A 120 -1.776 3.607 11.002 1.00 0.00 C ATOM 1899 O GLU A 120 -1.482 2.463 10.659 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.149 5.221 12.053 1.00 0.00 C ATOM 1901 CG GLU A 120 0.814 6.384 11.803 1.00 0.00 C ATOM 1902 CD GLU A 120 0.797 7.372 12.971 1.00 0.00 C ATOM 1903 OE1 GLU A 120 0.583 6.901 14.109 1.00 0.00 O ATOM 1904 OE2 GLU A 120 0.998 8.575 12.699 1.00 0.00 O ATOM 0 H GLU A 120 -1.475 6.750 10.620 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.021 4.420 10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.915 5.525 12.767 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.391 4.387 12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.824 6.000 11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.537 6.899 10.883 1.00 0.00 H new ATOM 1911 N ALA A 121 -2.911 3.943 11.599 1.00 0.00 N ATOM 1912 CA ALA A 121 -3.922 2.944 11.900 1.00 0.00 C ATOM 1913 C ALA A 121 -4.218 2.128 10.640 1.00 0.00 C ATOM 1914 O ALA A 121 -4.421 0.917 10.714 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.170 3.632 12.456 1.00 0.00 C ATOM 0 H ALA A 121 -3.152 4.893 11.882 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.564 2.253 12.663 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.929 2.883 12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.912 4.173 13.366 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.560 4.331 11.716 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.233 2.824 9.513 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.501 2.180 8.239 1.00 0.00 C ATOM 1923 C ALA A 122 -3.610 0.944 8.100 1.00 0.00 C ATOM 1924 O ALA A 122 -4.107 -0.167 7.920 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.287 3.183 7.104 1.00 0.00 C ATOM 0 H ALA A 122 -4.064 3.828 9.456 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.538 1.847 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.488 2.699 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.964 4.028 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.256 3.538 7.121 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.309 1.178 8.190 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.344 0.098 8.076 1.00 0.00 C ATOM 1933 C LEU A 123 -1.644 -0.961 9.139 1.00 0.00 C ATOM 1934 O LEU A 123 -1.938 -2.110 8.811 1.00 0.00 O ATOM 1935 CB LEU A 123 0.083 0.645 8.139 1.00 0.00 C ATOM 1936 CG LEU A 123 1.204 -0.392 8.047 1.00 0.00 C ATOM 1937 CD1 LEU A 123 2.574 0.286 7.984 1.00 0.00 C ATOM 1938 CD2 LEU A 123 1.115 -1.399 9.196 1.00 0.00 C ATOM 0 H LEU A 123 -1.901 2.100 8.341 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.431 -0.390 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.212 1.363 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.199 1.195 9.073 1.00 0.00 H new ATOM 0 HG LEU A 123 1.078 -0.950 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.353 -0.473 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.621 0.930 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.725 0.885 8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.923 -2.125 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.202 -0.874 10.147 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.156 -1.916 9.153 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.559 -0.537 10.392 1.00 0.00 N ATOM 1951 CA LEU A 124 -1.817 -1.435 11.504 1.00 0.00 C ATOM 1952 C LEU A 124 -3.076 -2.254 11.212 1.00 0.00 C ATOM 1953 O LEU A 124 -3.033 -3.483 11.205 1.00 0.00 O ATOM 1954 CB LEU A 124 -1.883 -0.654 12.818 1.00 0.00 C ATOM 1955 CG LEU A 124 -0.573 -0.019 13.288 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -0.839 1.236 14.121 1.00 0.00 C ATOM 1957 CD2 LEU A 124 0.289 -1.035 14.041 1.00 0.00 C ATOM 0 H LEU A 124 -1.315 0.416 10.661 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.996 -2.143 11.620 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.628 0.134 12.712 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.239 -1.326 13.599 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.010 0.293 12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.109 1.667 14.442 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.383 1.964 13.519 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.433 0.973 14.996 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.214 -0.558 14.364 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.255 -1.399 14.912 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.523 -1.872 13.383 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.167 -1.540 10.977 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.436 -2.185 10.685 1.00 0.00 C ATOM 1971 C ARG A 125 -5.242 -3.287 9.642 1.00 0.00 C ATOM 1972 O ARG A 125 -5.401 -4.469 9.945 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.461 -1.175 10.166 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.003 -0.309 11.305 1.00 0.00 C ATOM 1975 CD ARG A 125 -7.719 0.929 10.760 1.00 0.00 C ATOM 1976 NE ARG A 125 -8.423 1.630 11.857 1.00 0.00 N ATOM 1977 CZ ARG A 125 -9.580 1.216 12.392 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -10.170 0.103 11.934 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -10.147 1.916 13.384 1.00 0.00 N ATOM 0 H ARG A 125 -4.198 -0.521 10.983 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.809 -2.619 11.613 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.000 -0.540 9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.283 -1.702 9.682 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -7.692 -0.893 11.914 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.184 -0.003 11.955 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.998 1.600 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.431 0.637 9.988 1.00 0.00 H new ATOM 0 HE ARG A 125 -8.001 2.481 12.229 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -9.738 -0.429 11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -11.051 -0.212 12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -9.698 2.763 13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -11.028 1.601 13.792 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.903 -2.861 8.434 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.687 -3.798 7.344 1.00 0.00 C ATOM 1995 C LEU A 126 -3.919 -5.014 7.866 1.00 0.00 C ATOM 1996 O LEU A 126 -4.382 -6.146 7.738 1.00 0.00 O ATOM 1997 CB LEU A 126 -4.004 -3.100 6.166 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.805 -1.983 5.492 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -3.909 -0.786 5.168 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.537 -2.503 4.254 1.00 0.00 C ATOM 0 H LEU A 126 -4.773 -1.880 8.186 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.640 -4.163 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.059 -2.683 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.763 -3.852 5.414 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.565 -1.637 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.502 -0.006 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.474 -0.398 6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.112 -1.100 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.098 -1.689 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.812 -2.893 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.223 -3.298 4.544 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.760 -4.738 8.446 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.924 -5.795 8.988 1.00 0.00 C ATOM 2014 C GLN A 127 -2.742 -6.693 9.919 1.00 0.00 C ATOM 2015 O GLN A 127 -2.534 -7.905 9.958 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.709 -5.215 9.714 1.00 0.00 C ATOM 2017 CG GLN A 127 0.333 -4.704 8.717 1.00 0.00 C ATOM 2018 CD GLN A 127 1.582 -4.196 9.441 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.544 -3.798 10.593 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.688 -4.233 8.703 1.00 0.00 N ATOM 0 H GLN A 127 -2.380 -3.797 8.552 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.556 -6.401 8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.025 -4.400 10.365 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.263 -5.978 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.607 -5.504 8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.096 -3.901 8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.650 -4.578 7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.574 -3.916 9.096 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.654 -6.064 10.645 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.504 -6.791 11.573 1.00 0.00 C ATOM 2031 C ALA A 128 -5.489 -7.656 10.785 1.00 0.00 C ATOM 2032 O ALA A 128 -6.033 -8.624 11.315 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.211 -5.801 12.501 1.00 0.00 C ATOM 0 H ALA A 128 -3.823 -5.059 10.610 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.908 -7.456 12.198 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.848 -6.346 13.197 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.468 -5.232 13.059 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.821 -5.119 11.909 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.688 -7.277 9.531 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.599 -8.006 8.664 1.00 0.00 C ATOM 2041 C GLN A 129 -5.864 -9.154 7.969 1.00 0.00 C ATOM 2042 O GLN A 129 -6.491 -10.014 7.352 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.249 -7.072 7.642 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.482 -6.385 8.233 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.585 -6.239 7.183 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -10.034 -7.200 6.580 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.995 -4.988 7.000 1.00 0.00 N ATOM 0 H GLN A 129 -5.234 -6.475 9.094 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.395 -8.428 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.528 -6.320 7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.534 -7.639 6.756 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.854 -6.963 9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.207 -5.402 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.576 -4.230 7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.729 -4.786 6.321 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.545 -9.131 8.092 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.718 -10.159 7.483 1.00 0.00 C ATOM 2058 C VAL A 130 -3.413 -11.242 8.519 1.00 0.00 C ATOM 2059 O VAL A 130 -3.576 -12.430 8.246 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.457 -9.530 6.886 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.485 -10.607 6.400 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.809 -8.560 5.757 1.00 0.00 C ATOM 0 H VAL A 130 -4.028 -8.416 8.605 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.248 -10.638 6.659 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.962 -8.962 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.597 -10.133 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.196 -11.241 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.968 -11.215 5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.895 -8.127 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.338 -9.096 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.445 -7.765 6.146 1.00 0.00 H new ATOM 2072 N ARG A 131 -2.976 -10.794 9.687 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.647 -11.710 10.765 1.00 0.00 C ATOM 2074 C ARG A 131 -3.757 -12.750 10.935 1.00 0.00 C ATOM 2075 O ARG A 131 -3.479 -13.932 11.134 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.454 -10.961 12.085 1.00 0.00 C ATOM 2077 CG ARG A 131 -0.971 -10.692 12.350 1.00 0.00 C ATOM 2078 CD ARG A 131 -0.788 -9.461 13.241 1.00 0.00 C ATOM 2079 NE ARG A 131 -0.851 -9.855 14.666 1.00 0.00 N ATOM 2080 CZ ARG A 131 -0.690 -9.003 15.689 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -0.457 -7.706 15.449 1.00 0.00 N ATOM 2082 NH2 ARG A 131 -0.763 -9.449 16.950 1.00 0.00 N ATOM 0 H ARG A 131 -2.842 -9.808 9.910 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.714 -12.208 10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -2.999 -10.017 12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.873 -11.546 12.904 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.520 -11.562 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -0.450 -10.542 11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 131 0.170 -8.987 13.028 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -1.563 -8.726 13.024 1.00 0.00 H new ATOM 0 HE ARG A 131 -1.028 -10.836 14.884 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -0.402 -7.367 14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -0.334 -7.057 16.227 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -0.941 -10.437 17.132 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -0.641 -8.801 17.728 1.00 0.00 H new ATOM 2096 N LYS A 132 -4.990 -12.273 10.849 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.142 -13.147 10.990 1.00 0.00 C ATOM 2098 C LYS A 132 -6.225 -14.074 9.776 1.00 0.00 C ATOM 2099 O LYS A 132 -6.664 -15.218 9.893 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.411 -12.326 11.225 1.00 0.00 C ATOM 2101 CG LYS A 132 -8.412 -12.525 10.085 1.00 0.00 C ATOM 2102 CD LYS A 132 -7.925 -11.847 8.803 1.00 0.00 C ATOM 2103 CE LYS A 132 -8.915 -10.779 8.337 1.00 0.00 C ATOM 2104 NZ LYS A 132 -8.876 -10.643 6.864 1.00 0.00 N ATOM 0 H LYS A 132 -5.216 -11.292 10.683 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.033 -13.782 11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.868 -12.619 12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -7.155 -11.270 11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -8.556 -13.590 9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -9.381 -12.116 10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -6.949 -11.393 8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -7.795 -12.594 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -9.923 -11.044 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -8.674 -9.823 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -9.624 -9.989 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -7.949 -10.271 6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -9.028 -11.574 6.425 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.798 -13.547 8.638 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.819 -14.313 7.404 1.00 0.00 C ATOM 2120 C ALA A 133 -4.796 -15.448 7.495 1.00 0.00 C ATOM 2121 O ALA A 133 -4.986 -16.508 6.901 1.00 0.00 O ATOM 2122 CB ALA A 133 -5.552 -13.382 6.220 1.00 0.00 C ATOM 0 H ALA A 133 -5.435 -12.598 8.545 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.799 -14.764 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.568 -13.957 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.322 -12.612 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.575 -12.913 6.339 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.735 -15.186 8.245 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.683 -16.172 8.422 1.00 0.00 C ATOM 2130 C LEU A 134 -3.259 -17.407 9.117 1.00 0.00 C ATOM 2131 O LEU A 134 -2.952 -18.536 8.738 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.489 -15.555 9.153 1.00 0.00 C ATOM 2133 CG LEU A 134 -1.010 -14.199 8.631 1.00 0.00 C ATOM 2134 CD1 LEU A 134 0.317 -13.799 9.279 1.00 0.00 C ATOM 2135 CD2 LEU A 134 -0.926 -14.197 7.104 1.00 0.00 C ATOM 0 H LEU A 134 -3.582 -14.305 8.737 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.301 -16.500 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.750 -15.445 10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.656 -16.256 9.103 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.746 -13.446 8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.635 -12.832 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 134 0.189 -13.732 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 134 1.074 -14.549 9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -0.583 -13.221 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.224 -14.964 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -1.911 -14.404 6.685 1.00 0.00 H new ATOM 2147 N THR A 135 -4.083 -17.151 10.122 1.00 0.00 N ATOM 2148 CA THR A 135 -4.705 -18.228 10.873 1.00 0.00 C ATOM 2149 C THR A 135 -5.772 -18.923 10.025 1.00 0.00 C ATOM 2150 O THR A 135 -6.331 -19.939 10.436 1.00 0.00 O ATOM 2151 CB THR A 135 -5.252 -17.641 12.176 1.00 0.00 C ATOM 2152 OG1 THR A 135 -5.655 -18.782 12.929 1.00 0.00 O ATOM 2153 CG2 THR A 135 -6.548 -16.855 11.966 1.00 0.00 C ATOM 0 H THR A 135 -4.335 -16.213 10.434 1.00 0.00 H new ATOM 0 HA THR A 135 -3.981 -19.002 11.127 1.00 0.00 H new ATOM 0 HB THR A 135 -4.501 -16.989 12.623 1.00 0.00 H new ATOM 0 HG1 THR A 135 -6.047 -19.449 12.328 1.00 0.00 H new ATOM 0 HG21 THR A 135 -6.893 -16.460 12.922 1.00 0.00 H new ATOM 0 HG22 THR A 135 -6.366 -16.030 11.277 1.00 0.00 H new ATOM 0 HG23 THR A 135 -7.310 -17.514 11.549 1.00 0.00 H new ATOM 2161 N SER A 136 -6.022 -18.348 8.858 1.00 0.00 N ATOM 2162 CA SER A 136 -7.011 -18.900 7.949 1.00 0.00 C ATOM 2163 C SER A 136 -6.326 -19.777 6.899 1.00 0.00 C ATOM 2164 O SER A 136 -6.983 -20.558 6.213 1.00 0.00 O ATOM 2165 CB SER A 136 -7.815 -17.790 7.270 1.00 0.00 C ATOM 2166 OG SER A 136 -8.804 -17.240 8.136 1.00 0.00 O ATOM 0 H SER A 136 -5.556 -17.505 8.521 1.00 0.00 H new ATOM 0 HA SER A 136 -7.703 -19.511 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 136 -7.138 -17.000 6.944 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.296 -18.186 6.376 1.00 0.00 H new ATOM 0 HG SER A 136 -9.294 -16.534 7.666 1.00 0.00 H new TER 2172 SER A 136