USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 983 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 70 GLN : amide:sc= 0.211 X(o=0.17,f=-0.25) USER MOD Set 1.2: A 94 GLN : amide:sc= 0.214 X(o=0.17,f=-0.25) USER MOD Set 1.3: A 97 SER OG : rot -100:sc= -0.26 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.247 K(o=-0.5,f=-1) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -0.248 USER MOD Set 3.1: A 37 GLN : amide:sc= -0.0689 K(o=1.5,f=2) USER MOD Set 3.2: A 107 THR OG1 : rot 69:sc= 1.54 USER MOD Single : A 1 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.6) USER MOD Single : A 1 GLN N :NH3+ -128:sc= -0.101 (180deg=-1.54) USER MOD Single : A 3 HIS : no HD1:sc= 0.11 K(o=0.11,f=-3.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0389) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0112 (180deg=-0.15) USER MOD Single : A 12 ASN : amide:sc= 1.23 K(o=1.2,f=0.037) USER MOD Single : A 16 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.25) USER MOD Single : A 21 GLN : amide:sc= 0.0425 X(o=0.043,f=-0.019) USER MOD Single : A 23 ASN : amide:sc= 0.302! K(o=0.3!,f=-0.86) USER MOD Single : A 24 HIS : no HE2:sc= 0.476 K(o=1.2,f=-7.9!) USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= -1.12 (180deg=-3.08!) USER MOD Single : A 31 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 32 GLN : amide:sc= -2.85! K(o=-2.9!,f=-1.6) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 39 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.4) USER MOD Single : A 44 ASN : amide:sc= -0.0424 K(o=-0.042,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= -0.0164 (180deg=-0.163) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= 1.16 (180deg=0.718) USER MOD Single : A 52 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.08) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -1.5 (180deg=-2.92!) USER MOD Single : A 63 CYS SG : rot 4:sc= -1.52! USER MOD Single : A 65 MET CE :methyl 132:sc= -0.406 (180deg=-0.899) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 1.19 (180deg=0.848) USER MOD Single : A 80 THR OG1 : rot -130:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 1.26 K(o=1.3,f=-0.17) USER MOD Single : A 89 ASN : amide:sc= -0.0907 K(o=-0.091,f=-1.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 56:sc= 1.29 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= 1.16 (180deg=0.451) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc=-0.00725 (180deg=-0.165) USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.036) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 28.086 7.688 -5.715 1.00 0.00 N ATOM 2 CA GLN A 1 27.557 9.050 -5.528 1.00 0.00 C ATOM 3 C GLN A 1 26.995 9.590 -6.836 1.00 0.00 C ATOM 4 O GLN A 1 27.736 9.818 -7.796 1.00 0.00 O ATOM 5 CB GLN A 1 28.639 10.017 -5.006 1.00 0.00 C ATOM 6 CG GLN A 1 29.094 9.765 -3.575 1.00 0.00 C ATOM 7 CD GLN A 1 29.895 8.495 -3.424 1.00 0.00 C ATOM 8 OE1 GLN A 1 30.590 8.065 -4.347 1.00 0.00 O ATOM 9 NE2 GLN A 1 29.807 7.886 -2.273 1.00 0.00 N ATOM 0 H1 GLN A 1 27.675 7.055 -5.000 1.00 0.00 H new ATOM 0 H2 GLN A 1 27.837 7.346 -6.665 1.00 0.00 H new ATOM 0 H3 GLN A 1 29.121 7.700 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 1 26.763 8.984 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 1 29.507 9.956 -5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 1 28.258 11.036 -5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 1 29.695 10.609 -3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 1 28.220 9.716 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 1 29.221 8.274 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 1 30.325 7.022 -2.112 1.00 0.00 H new ATOM 18 N GLU A 2 25.691 9.787 -6.872 1.00 0.00 N ATOM 19 CA GLU A 2 25.021 10.340 -8.034 1.00 0.00 C ATOM 20 C GLU A 2 23.993 11.369 -7.598 1.00 0.00 C ATOM 21 O GLU A 2 23.723 11.505 -6.403 1.00 0.00 O ATOM 22 CB GLU A 2 24.351 9.237 -8.856 1.00 0.00 C ATOM 23 CG GLU A 2 25.332 8.272 -9.491 1.00 0.00 C ATOM 24 CD GLU A 2 24.656 7.219 -10.326 1.00 0.00 C ATOM 25 OE1 GLU A 2 24.215 7.538 -11.448 1.00 0.00 O ATOM 26 OE2 GLU A 2 24.567 6.063 -9.871 1.00 0.00 O ATOM 0 H GLU A 2 25.066 9.568 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 2 25.767 10.825 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 2 23.670 8.679 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 2 23.747 9.695 -9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.031 8.829 -10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 2 25.917 7.789 -8.709 1.00 0.00 H new ATOM 33 N HIS A 3 23.429 12.093 -8.567 1.00 0.00 N ATOM 34 CA HIS A 3 22.423 13.124 -8.293 1.00 0.00 C ATOM 35 C HIS A 3 23.016 14.202 -7.375 1.00 0.00 C ATOM 36 O HIS A 3 22.410 14.602 -6.378 1.00 0.00 O ATOM 37 CB HIS A 3 21.168 12.490 -7.658 1.00 0.00 C ATOM 38 CG HIS A 3 19.913 13.292 -7.838 1.00 0.00 C ATOM 39 ND1 HIS A 3 19.014 13.047 -8.849 1.00 0.00 N ATOM 40 CD2 HIS A 3 19.404 14.325 -7.130 1.00 0.00 C ATOM 41 CE1 HIS A 3 18.010 13.890 -8.756 1.00 0.00 C ATOM 42 NE2 HIS A 3 18.219 14.678 -7.723 1.00 0.00 N ATOM 0 H HIS A 3 23.653 11.984 -9.556 1.00 0.00 H new ATOM 0 HA HIS A 3 22.128 13.594 -9.231 1.00 0.00 H new ATOM 0 HB2 HIS A 3 21.018 11.500 -8.089 1.00 0.00 H new ATOM 0 HB3 HIS A 3 21.346 12.350 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 3 19.848 14.786 -6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.157 13.929 -9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 3 17.601 15.428 -7.414 1.00 0.00 H new ATOM 51 N LYS A 4 24.217 14.646 -7.728 1.00 0.00 N ATOM 52 CA LYS A 4 24.927 15.665 -6.953 1.00 0.00 C ATOM 53 C LYS A 4 24.150 16.985 -6.922 1.00 0.00 C ATOM 54 O LYS A 4 23.393 17.288 -7.847 1.00 0.00 O ATOM 55 CB LYS A 4 26.338 15.902 -7.506 1.00 0.00 C ATOM 56 CG LYS A 4 26.380 16.366 -8.952 1.00 0.00 C ATOM 57 CD LYS A 4 27.778 16.820 -9.340 1.00 0.00 C ATOM 58 CE LYS A 4 27.826 17.308 -10.777 1.00 0.00 C ATOM 59 NZ LYS A 4 29.128 17.929 -11.105 1.00 0.00 N ATOM 0 H LYS A 4 24.724 14.316 -8.549 1.00 0.00 H new ATOM 0 HA LYS A 4 25.012 15.290 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 4 26.838 16.645 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 4 26.909 14.978 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 4 26.063 15.555 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 4 25.675 17.185 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 4 28.101 17.619 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 4 28.478 15.995 -9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 4 27.643 16.471 -11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 4 27.027 18.031 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 29.121 18.249 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 29.292 18.743 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 29.888 17.232 -10.972 1.00 0.00 H new ATOM 73 N PRO A 5 24.325 17.783 -5.841 1.00 0.00 N ATOM 74 CA PRO A 5 23.643 19.073 -5.686 1.00 0.00 C ATOM 75 C PRO A 5 23.929 20.033 -6.845 1.00 0.00 C ATOM 76 O PRO A 5 23.009 20.643 -7.392 1.00 0.00 O ATOM 77 CB PRO A 5 24.203 19.634 -4.367 1.00 0.00 C ATOM 78 CG PRO A 5 25.425 18.826 -4.082 1.00 0.00 C ATOM 79 CD PRO A 5 25.180 17.477 -4.684 1.00 0.00 C ATOM 0 HA PRO A 5 22.560 18.953 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.445 20.693 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.475 19.544 -3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.310 19.292 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.599 18.748 -3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 5 26.110 16.994 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.685 16.806 -3.982 1.00 0.00 H new ATOM 87 N LYS A 6 25.205 20.178 -7.200 1.00 0.00 N ATOM 88 CA LYS A 6 25.597 21.037 -8.312 1.00 0.00 C ATOM 89 C LYS A 6 25.271 20.383 -9.651 1.00 0.00 C ATOM 90 O LYS A 6 26.158 19.874 -10.342 1.00 0.00 O ATOM 91 CB LYS A 6 27.088 21.385 -8.239 1.00 0.00 C ATOM 92 CG LYS A 6 27.447 22.375 -7.141 1.00 0.00 C ATOM 93 CD LYS A 6 26.749 23.709 -7.358 1.00 0.00 C ATOM 94 CE LYS A 6 27.246 24.767 -6.391 1.00 0.00 C ATOM 95 NZ LYS A 6 26.991 24.402 -4.977 1.00 0.00 N ATOM 0 H LYS A 6 25.983 19.712 -6.733 1.00 0.00 H new ATOM 0 HA LYS A 6 25.024 21.961 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 6 27.656 20.468 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.401 21.796 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.163 21.966 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.526 22.525 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.916 24.045 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.673 23.581 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.316 24.916 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.758 25.716 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.238 25.203 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.985 24.169 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.571 23.577 -4.721 1.00 0.00 H new ATOM 109 N LYS A 7 23.999 20.375 -9.989 1.00 0.00 N ATOM 110 CA LYS A 7 23.524 19.804 -11.229 1.00 0.00 C ATOM 111 C LYS A 7 22.092 20.281 -11.477 1.00 0.00 C ATOM 112 O LYS A 7 21.498 20.944 -10.621 1.00 0.00 O ATOM 113 CB LYS A 7 23.592 18.260 -11.167 1.00 0.00 C ATOM 114 CG LYS A 7 23.356 17.553 -12.500 1.00 0.00 C ATOM 115 CD LYS A 7 24.358 17.999 -13.559 1.00 0.00 C ATOM 116 CE LYS A 7 24.104 17.315 -14.893 1.00 0.00 C ATOM 117 NZ LYS A 7 24.274 15.843 -14.807 1.00 0.00 N ATOM 0 H LYS A 7 23.261 20.768 -9.405 1.00 0.00 H new ATOM 0 HA LYS A 7 24.156 20.131 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 7 24.571 17.969 -10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 7 22.852 17.907 -10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.431 16.475 -12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 7 22.343 17.759 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 7 24.297 19.080 -13.686 1.00 0.00 H new ATOM 0 HD3 LYS A 7 25.370 17.774 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 7 23.093 17.544 -15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 7 24.788 17.715 -15.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 24.294 15.439 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.167 15.624 -14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 23.481 15.432 -14.274 1.00 0.00 H new ATOM 131 N ASP A 8 21.551 19.969 -12.644 1.00 0.00 N ATOM 132 CA ASP A 8 20.191 20.359 -12.996 1.00 0.00 C ATOM 133 C ASP A 8 19.178 19.541 -12.219 1.00 0.00 C ATOM 134 O ASP A 8 18.610 18.576 -12.739 1.00 0.00 O ATOM 135 CB ASP A 8 19.945 20.171 -14.491 1.00 0.00 C ATOM 136 CG ASP A 8 21.008 20.805 -15.343 1.00 0.00 C ATOM 137 OD1 ASP A 8 22.035 20.144 -15.598 1.00 0.00 O ATOM 138 OD2 ASP A 8 20.823 21.956 -15.769 1.00 0.00 O ATOM 0 H ASP A 8 22.036 19.442 -13.370 1.00 0.00 H new ATOM 0 HA ASP A 8 20.074 21.412 -12.741 1.00 0.00 H new ATOM 0 HB2 ASP A 8 19.895 19.105 -14.715 1.00 0.00 H new ATOM 0 HB3 ASP A 8 18.976 20.597 -14.751 1.00 0.00 H new ATOM 143 N ASP A 9 18.972 19.898 -10.973 1.00 0.00 N ATOM 144 CA ASP A 9 18.017 19.221 -10.117 1.00 0.00 C ATOM 145 C ASP A 9 16.805 20.122 -9.909 1.00 0.00 C ATOM 146 O ASP A 9 16.217 20.163 -8.834 1.00 0.00 O ATOM 147 CB ASP A 9 18.678 18.871 -8.777 1.00 0.00 C ATOM 148 CG ASP A 9 17.808 17.996 -7.895 1.00 0.00 C ATOM 149 OD1 ASP A 9 17.294 16.976 -8.391 1.00 0.00 O ATOM 150 OD2 ASP A 9 17.642 18.322 -6.705 1.00 0.00 O ATOM 0 H ASP A 9 19.462 20.669 -10.520 1.00 0.00 H new ATOM 0 HA ASP A 9 17.688 18.294 -10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.622 18.360 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.915 19.792 -8.244 1.00 0.00 H new ATOM 155 N PHE A 10 16.461 20.868 -10.965 1.00 0.00 N ATOM 156 CA PHE A 10 15.339 21.811 -10.946 1.00 0.00 C ATOM 157 C PHE A 10 14.087 21.186 -10.327 1.00 0.00 C ATOM 158 O PHE A 10 13.360 21.847 -9.580 1.00 0.00 O ATOM 159 CB PHE A 10 15.039 22.316 -12.366 1.00 0.00 C ATOM 160 CG PHE A 10 13.906 23.302 -12.430 1.00 0.00 C ATOM 161 CD1 PHE A 10 14.068 24.594 -11.959 1.00 0.00 C ATOM 162 CD2 PHE A 10 12.679 22.935 -12.962 1.00 0.00 C ATOM 163 CE1 PHE A 10 13.029 25.501 -12.012 1.00 0.00 C ATOM 164 CE2 PHE A 10 11.637 23.838 -13.019 1.00 0.00 C ATOM 165 CZ PHE A 10 11.813 25.123 -12.543 1.00 0.00 C ATOM 0 H PHE A 10 16.954 20.834 -11.857 1.00 0.00 H new ATOM 0 HA PHE A 10 15.629 22.657 -10.323 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.937 22.781 -12.774 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.803 21.463 -13.003 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.019 24.896 -11.545 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.537 21.932 -13.336 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.168 26.505 -11.638 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.686 23.541 -13.435 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.999 25.831 -12.587 1.00 0.00 H new ATOM 175 N ARG A 11 13.846 19.915 -10.620 1.00 0.00 N ATOM 176 CA ARG A 11 12.717 19.221 -10.041 1.00 0.00 C ATOM 177 C ARG A 11 13.089 18.697 -8.664 1.00 0.00 C ATOM 178 O ARG A 11 13.474 17.534 -8.514 1.00 0.00 O ATOM 179 CB ARG A 11 12.254 18.074 -10.930 1.00 0.00 C ATOM 180 CG ARG A 11 11.776 18.507 -12.302 1.00 0.00 C ATOM 181 CD ARG A 11 11.358 17.308 -13.125 1.00 0.00 C ATOM 182 NE ARG A 11 10.964 17.672 -14.477 1.00 0.00 N ATOM 183 CZ ARG A 11 11.026 16.843 -15.513 1.00 0.00 C ATOM 184 NH1 ARG A 11 11.477 15.605 -15.345 1.00 0.00 N ATOM 185 NH2 ARG A 11 10.639 17.247 -16.715 1.00 0.00 N ATOM 0 H ARG A 11 14.416 19.352 -11.251 1.00 0.00 H new ATOM 0 HA ARG A 11 11.892 19.928 -9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.075 17.367 -11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.446 17.542 -10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.937 19.195 -12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.571 19.048 -12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.182 16.596 -13.169 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.527 16.804 -12.631 1.00 0.00 H new ATOM 0 HE ARG A 11 10.620 18.619 -14.639 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.775 15.292 -14.421 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.525 14.967 -16.140 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.292 18.197 -16.847 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.688 16.608 -17.508 1.00 0.00 H new ATOM 199 N ASN A 12 13.012 19.556 -7.679 1.00 0.00 N ATOM 200 CA ASN A 12 13.325 19.176 -6.318 1.00 0.00 C ATOM 201 C ASN A 12 12.082 19.319 -5.460 1.00 0.00 C ATOM 202 O ASN A 12 11.287 20.243 -5.663 1.00 0.00 O ATOM 203 CB ASN A 12 14.467 20.045 -5.764 1.00 0.00 C ATOM 204 CG ASN A 12 15.045 19.502 -4.462 1.00 0.00 C ATOM 205 OD1 ASN A 12 14.577 19.829 -3.371 1.00 0.00 O ATOM 206 ND2 ASN A 12 16.083 18.693 -4.569 1.00 0.00 N ATOM 0 H ASN A 12 12.734 20.531 -7.792 1.00 0.00 H new ATOM 0 HA ASN A 12 13.655 18.137 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.260 20.112 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.099 21.058 -5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.525 18.317 -3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.443 18.444 -5.490 1.00 0.00 H new ATOM 213 N GLU A 13 11.900 18.403 -4.526 1.00 0.00 N ATOM 214 CA GLU A 13 10.738 18.427 -3.654 1.00 0.00 C ATOM 215 C GLU A 13 10.876 19.514 -2.581 1.00 0.00 C ATOM 216 O GLU A 13 11.719 20.411 -2.679 1.00 0.00 O ATOM 217 CB GLU A 13 10.513 17.044 -3.015 1.00 0.00 C ATOM 218 CG GLU A 13 10.190 15.945 -4.028 1.00 0.00 C ATOM 219 CD GLU A 13 9.915 14.599 -3.379 1.00 0.00 C ATOM 220 OE1 GLU A 13 10.878 13.819 -3.180 1.00 0.00 O ATOM 221 OE2 GLU A 13 8.743 14.309 -3.070 1.00 0.00 O ATOM 0 H GLU A 13 12.543 17.631 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 13 9.864 18.669 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.406 16.761 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.697 17.114 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.321 16.243 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.024 15.843 -4.723 1.00 0.00 H new ATOM 228 N PHE A 14 10.054 19.427 -1.559 1.00 0.00 N ATOM 229 CA PHE A 14 10.078 20.395 -0.480 1.00 0.00 C ATOM 230 C PHE A 14 10.157 19.677 0.853 1.00 0.00 C ATOM 231 O PHE A 14 10.298 18.453 0.890 1.00 0.00 O ATOM 232 CB PHE A 14 8.845 21.310 -0.527 1.00 0.00 C ATOM 233 CG PHE A 14 8.751 22.149 -1.779 1.00 0.00 C ATOM 234 CD1 PHE A 14 9.396 23.372 -1.859 1.00 0.00 C ATOM 235 CD2 PHE A 14 8.015 21.714 -2.874 1.00 0.00 C ATOM 236 CE1 PHE A 14 9.313 24.144 -3.003 1.00 0.00 C ATOM 237 CE2 PHE A 14 7.928 22.482 -4.019 1.00 0.00 C ATOM 238 CZ PHE A 14 8.579 23.697 -4.084 1.00 0.00 C ATOM 0 H PHE A 14 9.356 18.692 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 14 10.961 21.023 -0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.947 20.697 -0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.862 21.970 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.971 23.727 -1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.504 20.763 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.822 25.096 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.351 22.132 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.515 24.298 -4.979 1.00 0.00 H new ATOM 248 N ASP A 15 10.072 20.436 1.940 1.00 0.00 N ATOM 249 CA ASP A 15 10.153 19.877 3.292 1.00 0.00 C ATOM 250 C ASP A 15 9.112 18.778 3.498 1.00 0.00 C ATOM 251 O ASP A 15 9.458 17.644 3.822 1.00 0.00 O ATOM 252 CB ASP A 15 9.971 20.982 4.334 1.00 0.00 C ATOM 253 CG ASP A 15 11.039 22.055 4.242 1.00 0.00 C ATOM 254 OD1 ASP A 15 10.899 22.965 3.395 1.00 0.00 O ATOM 255 OD2 ASP A 15 12.017 21.998 5.010 1.00 0.00 O ATOM 0 H ASP A 15 9.946 21.448 1.914 1.00 0.00 H new ATOM 0 HA ASP A 15 11.141 19.433 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.990 21.439 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.989 20.542 5.331 1.00 0.00 H new ATOM 260 N HIS A 16 7.837 19.120 3.304 1.00 0.00 N ATOM 261 CA HIS A 16 6.753 18.140 3.404 1.00 0.00 C ATOM 262 C HIS A 16 5.443 18.703 2.855 1.00 0.00 C ATOM 263 O HIS A 16 4.774 19.514 3.495 1.00 0.00 O ATOM 264 CB HIS A 16 6.576 17.593 4.851 1.00 0.00 C ATOM 265 CG HIS A 16 6.120 18.588 5.879 1.00 0.00 C ATOM 266 ND1 HIS A 16 4.848 18.584 6.409 1.00 0.00 N ATOM 267 CD2 HIS A 16 6.775 19.597 6.492 1.00 0.00 C ATOM 268 CE1 HIS A 16 4.742 19.546 7.299 1.00 0.00 C ATOM 269 NE2 HIS A 16 5.894 20.175 7.369 1.00 0.00 N ATOM 0 H HIS A 16 7.530 20.066 3.077 1.00 0.00 H new ATOM 0 HA HIS A 16 7.039 17.291 2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.858 16.774 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 16 7.527 17.172 5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.800 19.893 6.323 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.859 19.780 7.875 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.100 20.967 7.978 1.00 0.00 H new ATOM 278 N LEU A 17 5.118 18.304 1.643 1.00 0.00 N ATOM 279 CA LEU A 17 3.878 18.717 1.008 1.00 0.00 C ATOM 280 C LEU A 17 2.911 17.534 0.856 1.00 0.00 C ATOM 281 O LEU A 17 3.236 16.409 1.233 1.00 0.00 O ATOM 282 CB LEU A 17 4.147 19.402 -0.350 1.00 0.00 C ATOM 283 CG LEU A 17 4.860 18.583 -1.433 1.00 0.00 C ATOM 284 CD1 LEU A 17 4.467 19.082 -2.815 1.00 0.00 C ATOM 285 CD2 LEU A 17 6.368 18.693 -1.273 1.00 0.00 C ATOM 0 H LEU A 17 5.698 17.690 1.072 1.00 0.00 H new ATOM 0 HA LEU A 17 3.401 19.451 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.190 19.732 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.739 20.298 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 17 4.560 17.541 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.980 18.492 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.389 18.982 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.749 20.130 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.860 18.106 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.668 19.737 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.658 18.315 -0.293 1.00 0.00 H new ATOM 297 N LEU A 18 1.731 17.793 0.305 1.00 0.00 N ATOM 298 CA LEU A 18 0.707 16.754 0.153 1.00 0.00 C ATOM 299 C LEU A 18 1.159 15.676 -0.828 1.00 0.00 C ATOM 300 O LEU A 18 1.157 14.484 -0.508 1.00 0.00 O ATOM 301 CB LEU A 18 -0.611 17.373 -0.314 1.00 0.00 C ATOM 302 CG LEU A 18 -1.149 18.511 0.557 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.345 19.167 -0.103 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.518 17.995 1.940 1.00 0.00 C ATOM 0 H LEU A 18 1.455 18.711 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 18 0.555 16.286 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.477 17.748 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.365 16.587 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.365 19.260 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.714 19.973 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.050 19.572 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.133 18.428 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.899 18.817 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.285 17.226 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.635 17.571 2.418 1.00 0.00 H new ATOM 316 N ILE A 19 1.562 16.100 -2.022 1.00 0.00 N ATOM 317 CA ILE A 19 2.052 15.171 -3.036 1.00 0.00 C ATOM 318 C ILE A 19 3.339 14.487 -2.557 1.00 0.00 C ATOM 319 O ILE A 19 3.666 13.383 -2.978 1.00 0.00 O ATOM 320 CB ILE A 19 2.262 15.885 -4.409 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.905 16.222 -5.027 1.00 0.00 C ATOM 322 CG2 ILE A 19 3.075 15.030 -5.377 1.00 0.00 C ATOM 323 CD1 ILE A 19 0.068 14.995 -5.350 1.00 0.00 C ATOM 0 H ILE A 19 1.559 17.078 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 19 1.295 14.402 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 19 2.824 16.801 -4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.350 16.861 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.062 16.796 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.198 15.564 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.055 14.825 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.554 14.090 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.881 15.307 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.604 14.366 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.120 14.432 -4.436 1.00 0.00 H new ATOM 335 N GLU A 20 4.030 15.144 -1.645 1.00 0.00 N ATOM 336 CA GLU A 20 5.243 14.608 -1.034 1.00 0.00 C ATOM 337 C GLU A 20 4.900 13.338 -0.271 1.00 0.00 C ATOM 338 O GLU A 20 5.486 12.281 -0.504 1.00 0.00 O ATOM 339 CB GLU A 20 5.825 15.679 -0.100 1.00 0.00 C ATOM 340 CG GLU A 20 7.109 15.340 0.630 1.00 0.00 C ATOM 341 CD GLU A 20 6.887 14.511 1.886 1.00 0.00 C ATOM 342 OE1 GLU A 20 6.452 15.075 2.900 1.00 0.00 O ATOM 343 OE2 GLU A 20 7.144 13.296 1.858 1.00 0.00 O ATOM 0 H GLU A 20 3.769 16.069 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 20 5.985 14.357 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.999 16.581 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.068 15.925 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.769 14.795 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.621 16.264 0.899 1.00 0.00 H new ATOM 350 N GLN A 21 3.919 13.448 0.607 1.00 0.00 N ATOM 351 CA GLN A 21 3.465 12.323 1.407 1.00 0.00 C ATOM 352 C GLN A 21 2.934 11.192 0.521 1.00 0.00 C ATOM 353 O GLN A 21 3.151 10.011 0.801 1.00 0.00 O ATOM 354 CB GLN A 21 2.364 12.778 2.374 1.00 0.00 C ATOM 355 CG GLN A 21 2.830 13.745 3.459 1.00 0.00 C ATOM 356 CD GLN A 21 3.721 13.082 4.494 1.00 0.00 C ATOM 357 OE1 GLN A 21 3.234 12.524 5.478 1.00 0.00 O ATOM 358 NE2 GLN A 21 5.025 13.167 4.306 1.00 0.00 N ATOM 0 H GLN A 21 3.415 14.317 0.786 1.00 0.00 H new ATOM 0 HA GLN A 21 4.317 11.946 1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.568 13.253 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.932 11.898 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.371 14.570 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.960 14.173 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.391 13.637 3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.666 12.762 4.988 1.00 0.00 H new ATOM 367 N ALA A 22 2.279 11.566 -0.574 1.00 0.00 N ATOM 368 CA ALA A 22 1.644 10.596 -1.455 1.00 0.00 C ATOM 369 C ALA A 22 2.660 9.874 -2.338 1.00 0.00 C ATOM 370 O ALA A 22 2.692 8.646 -2.396 1.00 0.00 O ATOM 371 CB ALA A 22 0.592 11.278 -2.317 1.00 0.00 C ATOM 0 H ALA A 22 2.175 12.536 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 22 1.165 9.846 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.125 10.542 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.167 11.728 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.063 12.053 -2.921 1.00 0.00 H new ATOM 377 N ASN A 23 3.506 10.664 -2.997 1.00 0.00 N ATOM 378 CA ASN A 23 4.489 10.117 -3.936 1.00 0.00 C ATOM 379 C ASN A 23 5.498 9.242 -3.220 1.00 0.00 C ATOM 380 O ASN A 23 5.973 8.254 -3.772 1.00 0.00 O ATOM 381 CB ASN A 23 5.200 11.216 -4.773 1.00 0.00 C ATOM 382 CG ASN A 23 6.502 11.739 -4.164 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.572 11.155 -4.357 1.00 0.00 O ATOM 384 ND2 ASN A 23 6.423 12.844 -3.458 1.00 0.00 N ATOM 0 H ASN A 23 3.532 11.679 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 23 3.933 9.499 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.413 10.818 -5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.515 12.053 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.265 13.248 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.520 13.298 -3.321 1.00 0.00 H new ATOM 391 N HIS A 24 5.804 9.585 -1.979 1.00 0.00 N ATOM 392 CA HIS A 24 6.742 8.799 -1.215 1.00 0.00 C ATOM 393 C HIS A 24 6.107 7.510 -0.718 1.00 0.00 C ATOM 394 O HIS A 24 6.752 6.460 -0.724 1.00 0.00 O ATOM 395 CB HIS A 24 7.345 9.592 -0.055 1.00 0.00 C ATOM 396 CG HIS A 24 8.307 10.654 -0.501 1.00 0.00 C ATOM 397 ND1 HIS A 24 8.365 11.903 0.060 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.257 10.639 -1.465 1.00 0.00 C ATOM 399 CE1 HIS A 24 9.299 12.608 -0.533 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.858 11.870 -1.462 1.00 0.00 N ATOM 0 H HIS A 24 5.419 10.393 -1.490 1.00 0.00 H new ATOM 0 HA HIS A 24 7.558 8.538 -1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.541 10.056 0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 24 7.859 8.905 0.618 1.00 0.00 H new ATOM 0 HD1 HIS A 24 7.773 12.234 0.822 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.497 9.811 -2.115 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.564 13.628 -0.295 1.00 0.00 H new ATOM 409 N ALA A 25 4.843 7.571 -0.294 1.00 0.00 N ATOM 410 CA ALA A 25 4.151 6.384 0.181 1.00 0.00 C ATOM 411 C ALA A 25 3.943 5.373 -0.939 1.00 0.00 C ATOM 412 O ALA A 25 4.197 4.181 -0.764 1.00 0.00 O ATOM 413 CB ALA A 25 2.816 6.763 0.801 1.00 0.00 C ATOM 0 H ALA A 25 4.286 8.425 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 25 4.777 5.917 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.310 5.864 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.983 7.437 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.196 7.261 0.055 1.00 0.00 H new ATOM 419 N ILE A 26 3.490 5.849 -2.100 1.00 0.00 N ATOM 420 CA ILE A 26 3.259 4.955 -3.229 1.00 0.00 C ATOM 421 C ILE A 26 4.572 4.375 -3.741 1.00 0.00 C ATOM 422 O ILE A 26 4.612 3.242 -4.208 1.00 0.00 O ATOM 423 CB ILE A 26 2.448 5.630 -4.384 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.158 6.868 -4.947 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.048 5.994 -3.909 1.00 0.00 C ATOM 426 CD1 ILE A 26 4.044 6.583 -6.144 1.00 0.00 C ATOM 0 H ILE A 26 3.280 6.831 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 26 2.641 4.137 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 26 2.375 4.903 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.408 7.606 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.763 7.316 -4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.497 6.463 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.526 5.092 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.117 6.689 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.509 7.509 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.819 5.870 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.442 6.164 -6.951 1.00 0.00 H new ATOM 438 N GLU A 27 5.646 5.154 -3.632 1.00 0.00 N ATOM 439 CA GLU A 27 6.971 4.684 -4.009 1.00 0.00 C ATOM 440 C GLU A 27 7.375 3.518 -3.113 1.00 0.00 C ATOM 441 O GLU A 27 7.885 2.495 -3.586 1.00 0.00 O ATOM 442 CB GLU A 27 7.995 5.806 -3.863 1.00 0.00 C ATOM 443 CG GLU A 27 9.415 5.394 -4.189 1.00 0.00 C ATOM 444 CD GLU A 27 10.423 6.421 -3.749 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.725 7.340 -4.534 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.917 6.319 -2.605 1.00 0.00 O ATOM 0 H GLU A 27 5.622 6.113 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 27 6.943 4.360 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.709 6.631 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.963 6.182 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.635 4.442 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.507 5.235 -5.263 1.00 0.00 H new ATOM 453 N LYS A 28 7.135 3.677 -1.818 1.00 0.00 N ATOM 454 CA LYS A 28 7.445 2.643 -0.855 1.00 0.00 C ATOM 455 C LYS A 28 6.579 1.419 -1.105 1.00 0.00 C ATOM 456 O LYS A 28 7.069 0.285 -1.080 1.00 0.00 O ATOM 457 CB LYS A 28 7.238 3.159 0.571 1.00 0.00 C ATOM 458 CG LYS A 28 7.623 2.155 1.650 1.00 0.00 C ATOM 459 CD LYS A 28 7.359 2.685 3.060 1.00 0.00 C ATOM 460 CE LYS A 28 8.446 3.661 3.540 1.00 0.00 C ATOM 461 NZ LYS A 28 8.427 4.963 2.818 1.00 0.00 N ATOM 0 H LYS A 28 6.724 4.519 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 28 8.492 2.362 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.824 4.068 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.191 3.433 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.062 1.232 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.679 1.906 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.392 3.187 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.298 1.846 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.316 3.843 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.424 3.197 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.640 5.733 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.142 4.952 2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.486 5.116 2.402 1.00 0.00 H new ATOM 475 N GLY A 29 5.290 1.654 -1.368 1.00 0.00 N ATOM 476 CA GLY A 29 4.370 0.570 -1.640 1.00 0.00 C ATOM 477 C GLY A 29 4.769 -0.216 -2.867 1.00 0.00 C ATOM 478 O GLY A 29 4.719 -1.438 -2.882 1.00 0.00 O ATOM 0 H GLY A 29 4.871 2.584 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.331 -0.097 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.366 0.972 -1.777 1.00 0.00 H new ATOM 482 N GLU A 30 5.186 0.511 -3.889 1.00 0.00 N ATOM 483 CA GLU A 30 5.625 -0.068 -5.144 1.00 0.00 C ATOM 484 C GLU A 30 6.779 -1.036 -4.912 1.00 0.00 C ATOM 485 O GLU A 30 6.755 -2.174 -5.376 1.00 0.00 O ATOM 486 CB GLU A 30 6.067 1.053 -6.087 1.00 0.00 C ATOM 487 CG GLU A 30 6.657 0.580 -7.402 1.00 0.00 C ATOM 488 CD GLU A 30 7.211 1.725 -8.218 1.00 0.00 C ATOM 489 OE1 GLU A 30 8.363 2.140 -7.963 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.498 2.227 -9.109 1.00 0.00 O ATOM 0 H GLU A 30 5.229 1.530 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 30 4.798 -0.620 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.209 1.691 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.805 1.670 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.450 -0.142 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.890 0.062 -7.978 1.00 0.00 H new ATOM 497 N HIS A 31 7.771 -0.580 -4.170 1.00 0.00 N ATOM 498 CA HIS A 31 8.956 -1.380 -3.914 1.00 0.00 C ATOM 499 C HIS A 31 8.659 -2.585 -3.016 1.00 0.00 C ATOM 500 O HIS A 31 9.172 -3.674 -3.257 1.00 0.00 O ATOM 501 CB HIS A 31 10.087 -0.515 -3.345 1.00 0.00 C ATOM 502 CG HIS A 31 10.578 0.526 -4.316 1.00 0.00 C ATOM 503 ND1 HIS A 31 10.953 1.797 -3.942 1.00 0.00 N ATOM 504 CD2 HIS A 31 10.752 0.470 -5.658 1.00 0.00 C ATOM 505 CE1 HIS A 31 11.333 2.473 -5.010 1.00 0.00 C ATOM 506 NE2 HIS A 31 11.220 1.691 -6.062 1.00 0.00 N ATOM 0 H HIS A 31 7.780 0.342 -3.733 1.00 0.00 H new ATOM 0 HA HIS A 31 9.289 -1.782 -4.871 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.738 -0.022 -2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.919 -1.158 -3.058 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.557 -0.382 -6.293 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.679 3.496 -5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.445 1.952 -7.022 1.00 0.00 H new ATOM 515 N GLN A 32 7.816 -2.400 -1.999 1.00 0.00 N ATOM 516 CA GLN A 32 7.455 -3.512 -1.116 1.00 0.00 C ATOM 517 C GLN A 32 6.586 -4.523 -1.874 1.00 0.00 C ATOM 518 O GLN A 32 6.623 -5.720 -1.583 1.00 0.00 O ATOM 519 CB GLN A 32 6.762 -3.000 0.179 1.00 0.00 C ATOM 520 CG GLN A 32 5.355 -2.415 0.002 1.00 0.00 C ATOM 521 CD GLN A 32 4.243 -3.468 -0.096 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.239 -3.259 -0.764 1.00 0.00 O ATOM 523 NE2 GLN A 32 4.411 -4.593 0.582 1.00 0.00 N ATOM 0 H GLN A 32 7.377 -1.509 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 32 8.366 -4.022 -0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.704 -3.826 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.397 -2.237 0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.141 -1.754 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.340 -1.802 -0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.260 -4.737 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.692 -5.316 0.557 1.00 0.00 H new ATOM 532 N LEU A 33 5.825 -4.041 -2.855 1.00 0.00 N ATOM 533 CA LEU A 33 5.018 -4.916 -3.696 1.00 0.00 C ATOM 534 C LEU A 33 5.931 -5.802 -4.529 1.00 0.00 C ATOM 535 O LEU A 33 5.728 -7.018 -4.615 1.00 0.00 O ATOM 536 CB LEU A 33 4.070 -4.072 -4.594 1.00 0.00 C ATOM 537 CG LEU A 33 3.218 -4.818 -5.662 1.00 0.00 C ATOM 538 CD1 LEU A 33 3.992 -4.993 -6.962 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.732 -6.174 -5.150 1.00 0.00 C ATOM 0 H LEU A 33 5.752 -3.050 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 33 4.396 -5.556 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.386 -3.530 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.675 -3.327 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 33 2.344 -4.198 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.370 -5.517 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.265 -4.015 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.895 -5.573 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.141 -6.664 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.590 -6.797 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.118 -6.029 -4.261 1.00 0.00 H new ATOM 551 N LEU A 34 6.955 -5.197 -5.116 1.00 0.00 N ATOM 552 CA LEU A 34 7.908 -5.930 -5.928 1.00 0.00 C ATOM 553 C LEU A 34 8.682 -6.913 -5.061 1.00 0.00 C ATOM 554 O LEU A 34 9.015 -8.014 -5.499 1.00 0.00 O ATOM 555 CB LEU A 34 8.881 -4.959 -6.605 1.00 0.00 C ATOM 556 CG LEU A 34 8.245 -3.865 -7.470 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.305 -2.896 -7.965 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.491 -4.474 -8.641 1.00 0.00 C ATOM 0 H LEU A 34 7.144 -4.197 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 34 7.365 -6.481 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.482 -4.480 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.564 -5.536 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 34 7.533 -3.315 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.836 -2.126 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.799 -2.431 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.041 -3.435 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.048 -3.679 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.180 -5.052 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.703 -5.128 -8.266 1.00 0.00 H new ATOM 570 N TYR A 35 8.954 -6.512 -3.822 1.00 0.00 N ATOM 571 CA TYR A 35 9.684 -7.347 -2.891 1.00 0.00 C ATOM 572 C TYR A 35 8.878 -8.591 -2.518 1.00 0.00 C ATOM 573 O TYR A 35 9.339 -9.715 -2.709 1.00 0.00 O ATOM 574 CB TYR A 35 10.078 -6.554 -1.635 1.00 0.00 C ATOM 575 CG TYR A 35 10.715 -7.405 -0.558 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.967 -7.981 -0.744 1.00 0.00 C ATOM 577 CD2 TYR A 35 10.059 -7.640 0.640 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.540 -8.770 0.235 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.624 -8.424 1.625 1.00 0.00 C ATOM 580 CZ TYR A 35 11.864 -8.990 1.416 1.00 0.00 C ATOM 581 OH TYR A 35 12.434 -9.776 2.397 1.00 0.00 O ATOM 0 H TYR A 35 8.675 -5.607 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 35 10.598 -7.676 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.771 -5.762 -1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.190 -6.070 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.500 -7.809 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.086 -7.201 0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.512 -9.212 0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.099 -8.593 2.553 1.00 0.00 H new ATOM 0 HH TYR A 35 11.829 -9.830 3.166 1.00 0.00 H new ATOM 591 N LEU A 36 7.648 -8.381 -2.014 1.00 0.00 N ATOM 592 CA LEU A 36 6.778 -9.484 -1.589 1.00 0.00 C ATOM 593 C LEU A 36 6.467 -10.416 -2.746 1.00 0.00 C ATOM 594 O LEU A 36 6.251 -11.613 -2.553 1.00 0.00 O ATOM 595 CB LEU A 36 5.468 -8.947 -0.984 1.00 0.00 C ATOM 596 CG LEU A 36 5.433 -8.768 0.544 1.00 0.00 C ATOM 597 CD1 LEU A 36 5.590 -10.106 1.250 1.00 0.00 C ATOM 598 CD2 LEU A 36 6.501 -7.794 1.006 1.00 0.00 C ATOM 0 H LEU A 36 7.237 -7.455 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 36 7.314 -10.047 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.251 -7.983 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.661 -9.624 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 36 4.460 -8.353 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.562 -9.954 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.777 -10.770 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.544 -10.555 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.452 -7.688 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.484 -8.170 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.335 -6.824 0.538 1.00 0.00 H new ATOM 610 N GLN A 37 6.428 -9.857 -3.950 1.00 0.00 N ATOM 611 CA GLN A 37 6.184 -10.637 -5.149 1.00 0.00 C ATOM 612 C GLN A 37 7.247 -11.741 -5.277 1.00 0.00 C ATOM 613 O GLN A 37 6.967 -12.859 -5.750 1.00 0.00 O ATOM 614 CB GLN A 37 6.223 -9.726 -6.377 1.00 0.00 C ATOM 615 CG GLN A 37 5.384 -10.230 -7.532 1.00 0.00 C ATOM 616 CD GLN A 37 3.904 -10.268 -7.198 1.00 0.00 C ATOM 617 OE1 GLN A 37 3.174 -11.134 -7.671 1.00 0.00 O ATOM 618 NE2 GLN A 37 3.450 -9.319 -6.400 1.00 0.00 N ATOM 0 H GLN A 37 6.564 -8.860 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 37 5.199 -11.099 -5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.876 -8.732 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.256 -9.620 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.542 -9.589 -8.399 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.717 -11.230 -7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.089 -8.617 -6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.460 -9.288 -6.156 1.00 0.00 H new ATOM 627 N HIS A 38 8.459 -11.426 -4.827 1.00 0.00 N ATOM 628 CA HIS A 38 9.554 -12.376 -4.852 1.00 0.00 C ATOM 629 C HIS A 38 9.300 -13.486 -3.841 1.00 0.00 C ATOM 630 O HIS A 38 9.575 -14.660 -4.105 1.00 0.00 O ATOM 631 CB HIS A 38 10.876 -11.681 -4.549 1.00 0.00 C ATOM 632 CG HIS A 38 12.045 -12.434 -5.065 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.542 -13.560 -4.459 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.787 -12.247 -6.174 1.00 0.00 C ATOM 635 CE1 HIS A 38 13.531 -14.035 -5.177 1.00 0.00 C ATOM 636 NE2 HIS A 38 13.704 -13.259 -6.221 1.00 0.00 N ATOM 0 H HIS A 38 8.702 -10.514 -4.440 1.00 0.00 H new ATOM 0 HA HIS A 38 9.616 -12.810 -5.850 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.868 -10.684 -4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 38 10.977 -11.553 -3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.678 -11.447 -6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.108 -14.919 -4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.407 -13.390 -6.948 1.00 0.00 H new ATOM 645 N GLN A 39 8.787 -13.106 -2.661 1.00 0.00 N ATOM 646 CA GLN A 39 8.417 -14.076 -1.635 1.00 0.00 C ATOM 647 C GLN A 39 7.416 -15.065 -2.190 1.00 0.00 C ATOM 648 O GLN A 39 7.518 -16.260 -1.940 1.00 0.00 O ATOM 649 CB GLN A 39 7.847 -13.390 -0.378 1.00 0.00 C ATOM 650 CG GLN A 39 8.901 -12.817 0.571 1.00 0.00 C ATOM 651 CD GLN A 39 9.781 -11.789 -0.080 1.00 0.00 C ATOM 652 OE1 GLN A 39 9.470 -10.616 -0.070 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.887 -12.226 -0.642 1.00 0.00 N ATOM 0 H GLN A 39 8.621 -12.134 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 39 9.322 -14.606 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.182 -12.584 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.239 -14.111 0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.403 -12.369 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.521 -13.630 0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.108 -13.222 -0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.524 -11.569 -1.093 1.00 0.00 H new ATOM 662 N LEU A 40 6.429 -14.543 -2.931 1.00 0.00 N ATOM 663 CA LEU A 40 5.440 -15.372 -3.616 1.00 0.00 C ATOM 664 C LEU A 40 6.127 -16.456 -4.429 1.00 0.00 C ATOM 665 O LEU A 40 5.778 -17.621 -4.319 1.00 0.00 O ATOM 666 CB LEU A 40 4.531 -14.497 -4.510 1.00 0.00 C ATOM 667 CG LEU A 40 3.363 -15.209 -5.228 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.276 -14.213 -5.568 1.00 0.00 C ATOM 669 CD2 LEU A 40 3.834 -15.894 -6.505 1.00 0.00 C ATOM 0 H LEU A 40 6.298 -13.541 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 40 4.813 -15.858 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.115 -13.700 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.155 -14.022 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 40 2.970 -15.967 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.458 -14.726 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.905 -13.753 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.681 -13.442 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.989 -16.386 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.256 -15.151 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.594 -16.636 -6.261 1.00 0.00 H new ATOM 681 N ASP A 41 7.126 -16.074 -5.231 1.00 0.00 N ATOM 682 CA ASP A 41 7.861 -17.056 -6.042 1.00 0.00 C ATOM 683 C ASP A 41 8.462 -18.157 -5.179 1.00 0.00 C ATOM 684 O ASP A 41 8.419 -19.334 -5.538 1.00 0.00 O ATOM 685 CB ASP A 41 8.965 -16.384 -6.860 1.00 0.00 C ATOM 686 CG ASP A 41 8.442 -15.679 -8.087 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.046 -16.366 -9.045 1.00 0.00 O ATOM 688 OD2 ASP A 41 8.433 -14.435 -8.107 1.00 0.00 O ATOM 0 H ASP A 41 7.442 -15.110 -5.337 1.00 0.00 H new ATOM 0 HA ASP A 41 7.140 -17.505 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.490 -15.665 -6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.694 -17.135 -7.162 1.00 0.00 H new ATOM 693 N GLU A 42 9.010 -17.774 -4.035 1.00 0.00 N ATOM 694 CA GLU A 42 9.611 -18.731 -3.125 1.00 0.00 C ATOM 695 C GLU A 42 8.518 -19.623 -2.526 1.00 0.00 C ATOM 696 O GLU A 42 8.668 -20.845 -2.421 1.00 0.00 O ATOM 697 CB GLU A 42 10.370 -18.000 -2.016 1.00 0.00 C ATOM 698 CG GLU A 42 11.249 -18.894 -1.172 1.00 0.00 C ATOM 699 CD GLU A 42 12.372 -19.525 -1.971 1.00 0.00 C ATOM 700 OE1 GLU A 42 13.280 -18.789 -2.412 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.361 -20.760 -2.149 1.00 0.00 O ATOM 0 H GLU A 42 9.050 -16.806 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 42 10.319 -19.354 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.988 -17.222 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.650 -17.500 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.672 -18.313 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.640 -19.679 -0.725 1.00 0.00 H new ATOM 708 N LEU A 43 7.426 -18.981 -2.132 1.00 0.00 N ATOM 709 CA LEU A 43 6.271 -19.662 -1.565 1.00 0.00 C ATOM 710 C LEU A 43 5.728 -20.715 -2.518 1.00 0.00 C ATOM 711 O LEU A 43 5.385 -21.807 -2.097 1.00 0.00 O ATOM 712 CB LEU A 43 5.159 -18.673 -1.209 1.00 0.00 C ATOM 713 CG LEU A 43 3.909 -19.295 -0.579 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.213 -19.839 0.802 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.771 -18.292 -0.531 1.00 0.00 C ATOM 0 H LEU A 43 7.317 -17.969 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 43 6.609 -20.153 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.562 -17.930 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.864 -18.142 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 43 3.594 -20.129 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.310 -20.275 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.986 -20.604 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.562 -19.030 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.895 -18.757 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.071 -17.430 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.529 -17.968 -1.543 1.00 0.00 H new ATOM 727 N ASN A 44 5.654 -20.385 -3.796 1.00 0.00 N ATOM 728 CA ASN A 44 5.157 -21.312 -4.817 1.00 0.00 C ATOM 729 C ASN A 44 5.997 -22.583 -4.863 1.00 0.00 C ATOM 730 O ASN A 44 5.484 -23.672 -5.103 1.00 0.00 O ATOM 731 CB ASN A 44 5.158 -20.624 -6.188 1.00 0.00 C ATOM 732 CG ASN A 44 4.072 -19.572 -6.323 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.604 -19.009 -5.340 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.673 -19.292 -7.541 1.00 0.00 N ATOM 0 H ASN A 44 5.933 -19.474 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 44 4.137 -21.595 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.130 -20.159 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.027 -21.376 -6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.952 -18.587 -7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.084 -19.780 -8.337 1.00 0.00 H new ATOM 741 N GLU A 45 7.282 -22.436 -4.631 1.00 0.00 N ATOM 742 CA GLU A 45 8.192 -23.567 -4.637 1.00 0.00 C ATOM 743 C GLU A 45 8.117 -24.354 -3.322 1.00 0.00 C ATOM 744 O GLU A 45 8.010 -25.581 -3.325 1.00 0.00 O ATOM 745 CB GLU A 45 9.624 -23.064 -4.854 1.00 0.00 C ATOM 746 CG GLU A 45 10.670 -24.163 -4.958 1.00 0.00 C ATOM 747 CD GLU A 45 10.568 -24.945 -6.247 1.00 0.00 C ATOM 748 OE1 GLU A 45 9.767 -25.904 -6.310 1.00 0.00 O ATOM 749 OE2 GLU A 45 11.297 -24.607 -7.206 1.00 0.00 O ATOM 0 H GLU A 45 7.726 -21.539 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 45 7.901 -24.236 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.651 -22.466 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.892 -22.402 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.664 -23.721 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.560 -24.845 -4.115 1.00 0.00 H new ATOM 756 N ASN A 46 8.147 -23.644 -2.211 1.00 0.00 N ATOM 757 CA ASN A 46 8.189 -24.285 -0.896 1.00 0.00 C ATOM 758 C ASN A 46 6.803 -24.815 -0.464 1.00 0.00 C ATOM 759 O ASN A 46 6.703 -25.846 0.199 1.00 0.00 O ATOM 760 CB ASN A 46 8.755 -23.317 0.152 1.00 0.00 C ATOM 761 CG ASN A 46 9.420 -24.039 1.314 1.00 0.00 C ATOM 762 OD1 ASN A 46 9.034 -25.147 1.674 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.426 -23.414 1.902 1.00 0.00 N ATOM 0 H ASN A 46 8.143 -22.624 -2.185 1.00 0.00 H new ATOM 0 HA ASN A 46 8.851 -25.148 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.480 -22.656 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.950 -22.688 0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.911 -23.852 2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.717 -22.493 1.573 1.00 0.00 H new ATOM 770 N LYS A 47 5.750 -24.091 -0.861 1.00 0.00 N ATOM 771 CA LYS A 47 4.350 -24.430 -0.495 1.00 0.00 C ATOM 772 C LYS A 47 4.183 -24.446 1.036 1.00 0.00 C ATOM 773 O LYS A 47 3.296 -25.107 1.573 1.00 0.00 O ATOM 774 CB LYS A 47 3.973 -25.801 -1.067 1.00 0.00 C ATOM 775 CG LYS A 47 3.949 -25.849 -2.588 1.00 0.00 C ATOM 776 CD LYS A 47 2.783 -25.048 -3.160 1.00 0.00 C ATOM 777 CE LYS A 47 2.835 -24.992 -4.680 1.00 0.00 C ATOM 778 NZ LYS A 47 2.890 -26.342 -5.295 1.00 0.00 N ATOM 0 H LYS A 47 5.832 -23.257 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 47 3.691 -23.671 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.682 -26.544 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.991 -26.084 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.887 -25.456 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.875 -26.885 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.842 -25.498 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.804 -24.035 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.958 -24.462 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.709 -24.419 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.754 -26.261 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.816 -26.774 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.139 -26.938 -4.892 1.00 0.00 H new ATOM 792 N SER A 48 5.040 -23.700 1.711 1.00 0.00 N ATOM 793 CA SER A 48 5.034 -23.638 3.170 1.00 0.00 C ATOM 794 C SER A 48 3.791 -22.936 3.700 1.00 0.00 C ATOM 795 O SER A 48 3.561 -21.763 3.408 1.00 0.00 O ATOM 796 CB SER A 48 6.295 -22.962 3.689 1.00 0.00 C ATOM 797 OG SER A 48 7.427 -23.778 3.477 1.00 0.00 O ATOM 0 H SER A 48 5.756 -23.122 1.271 1.00 0.00 H new ATOM 0 HA SER A 48 5.015 -24.664 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.432 -22.005 3.186 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.188 -22.751 4.753 1.00 0.00 H new ATOM 0 HG SER A 48 8.226 -23.323 3.816 1.00 0.00 H new ATOM 803 N LYS A 49 2.998 -23.655 4.492 1.00 0.00 N ATOM 804 CA LYS A 49 1.782 -23.097 5.080 1.00 0.00 C ATOM 805 C LYS A 49 2.111 -21.906 5.993 1.00 0.00 C ATOM 806 O LYS A 49 1.428 -20.885 5.966 1.00 0.00 O ATOM 807 CB LYS A 49 0.973 -24.187 5.844 1.00 0.00 C ATOM 808 CG LYS A 49 1.659 -24.781 7.077 1.00 0.00 C ATOM 809 CD LYS A 49 2.793 -25.728 6.699 1.00 0.00 C ATOM 810 CE LYS A 49 3.346 -26.463 7.905 1.00 0.00 C ATOM 811 NZ LYS A 49 2.336 -27.355 8.524 1.00 0.00 N ATOM 0 H LYS A 49 3.176 -24.628 4.742 1.00 0.00 H new ATOM 0 HA LYS A 49 1.154 -22.732 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.021 -23.756 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.747 -24.997 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.051 -23.975 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.924 -25.317 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.433 -26.451 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.593 -25.163 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.213 -27.051 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.692 -25.739 8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.790 -28.245 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.926 -26.889 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.583 -27.557 7.836 1.00 0.00 H new ATOM 825 N GLU A 50 3.171 -22.049 6.782 1.00 0.00 N ATOM 826 CA GLU A 50 3.622 -20.982 7.673 1.00 0.00 C ATOM 827 C GLU A 50 4.095 -19.756 6.888 1.00 0.00 C ATOM 828 O GLU A 50 3.778 -18.626 7.253 1.00 0.00 O ATOM 829 CB GLU A 50 4.736 -21.486 8.596 1.00 0.00 C ATOM 830 CG GLU A 50 5.760 -22.370 7.891 1.00 0.00 C ATOM 831 CD GLU A 50 6.896 -22.793 8.791 1.00 0.00 C ATOM 832 OE1 GLU A 50 6.669 -23.618 9.695 1.00 0.00 O ATOM 833 OE2 GLU A 50 8.022 -22.308 8.594 1.00 0.00 O ATOM 0 H GLU A 50 3.737 -22.897 6.823 1.00 0.00 H new ATOM 0 HA GLU A 50 2.770 -20.680 8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.248 -20.630 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.290 -22.046 9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.260 -23.258 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.165 -21.834 7.033 1.00 0.00 H new ATOM 840 N LEU A 51 4.828 -19.980 5.807 1.00 0.00 N ATOM 841 CA LEU A 51 5.306 -18.875 4.985 1.00 0.00 C ATOM 842 C LEU A 51 4.121 -18.153 4.360 1.00 0.00 C ATOM 843 O LEU A 51 4.090 -16.927 4.304 1.00 0.00 O ATOM 844 CB LEU A 51 6.268 -19.373 3.895 1.00 0.00 C ATOM 845 CG LEU A 51 6.864 -18.295 2.972 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.701 -17.299 3.764 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.695 -18.934 1.870 1.00 0.00 C ATOM 0 H LEU A 51 5.103 -20.906 5.480 1.00 0.00 H new ATOM 0 HA LEU A 51 5.855 -18.180 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.089 -19.903 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.740 -20.099 3.277 1.00 0.00 H new ATOM 0 HG LEU A 51 6.039 -17.752 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.110 -16.549 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.075 -16.811 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.517 -17.823 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.108 -18.156 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.509 -19.508 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.065 -19.597 1.277 1.00 0.00 H new ATOM 859 N GLN A 52 3.137 -18.933 3.920 1.00 0.00 N ATOM 860 CA GLN A 52 1.919 -18.384 3.333 1.00 0.00 C ATOM 861 C GLN A 52 1.241 -17.429 4.306 1.00 0.00 C ATOM 862 O GLN A 52 0.881 -16.309 3.945 1.00 0.00 O ATOM 863 CB GLN A 52 0.948 -19.509 2.965 1.00 0.00 C ATOM 864 CG GLN A 52 -0.375 -19.016 2.401 1.00 0.00 C ATOM 865 CD GLN A 52 -1.359 -20.135 2.149 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.384 -20.720 1.075 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.190 -20.426 3.130 1.00 0.00 N ATOM 0 H GLN A 52 3.160 -19.952 3.960 1.00 0.00 H new ATOM 0 HA GLN A 52 2.195 -17.839 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.424 -20.162 2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.752 -20.112 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.816 -18.300 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.191 -18.484 1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.138 -19.915 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.885 -21.162 3.008 1.00 0.00 H new ATOM 876 N GLU A 53 1.097 -17.871 5.542 1.00 0.00 N ATOM 877 CA GLU A 53 0.432 -17.088 6.561 1.00 0.00 C ATOM 878 C GLU A 53 1.171 -15.788 6.865 1.00 0.00 C ATOM 879 O GLU A 53 0.550 -14.736 6.985 1.00 0.00 O ATOM 880 CB GLU A 53 0.229 -17.915 7.822 1.00 0.00 C ATOM 881 CG GLU A 53 -0.861 -18.961 7.687 1.00 0.00 C ATOM 882 CD GLU A 53 -1.175 -19.638 8.995 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.488 -18.929 9.977 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.132 -20.876 9.054 1.00 0.00 O ATOM 0 H GLU A 53 1.436 -18.777 5.864 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.546 -16.807 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.166 -18.409 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.017 -17.249 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.765 -18.491 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.553 -19.711 6.958 1.00 0.00 H new ATOM 891 N LYS A 54 2.494 -15.858 6.969 1.00 0.00 N ATOM 892 CA LYS A 54 3.302 -14.666 7.241 1.00 0.00 C ATOM 893 C LYS A 54 3.196 -13.681 6.086 1.00 0.00 C ATOM 894 O LYS A 54 3.070 -12.470 6.293 1.00 0.00 O ATOM 895 CB LYS A 54 4.763 -15.053 7.466 1.00 0.00 C ATOM 896 CG LYS A 54 4.966 -16.040 8.604 1.00 0.00 C ATOM 897 CD LYS A 54 6.439 -16.355 8.836 1.00 0.00 C ATOM 898 CE LYS A 54 7.136 -15.290 9.686 1.00 0.00 C ATOM 899 NZ LYS A 54 7.231 -13.973 9.006 1.00 0.00 N ATOM 0 H LYS A 54 3.030 -16.720 6.870 1.00 0.00 H new ATOM 0 HA LYS A 54 2.922 -14.191 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.161 -15.484 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.341 -14.152 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.535 -15.632 9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.429 -16.963 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.528 -17.324 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.946 -16.438 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.594 -15.170 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.139 -15.635 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.044 -13.446 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.356 -14.118 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.359 -13.432 9.174 1.00 0.00 H new ATOM 913 N ILE A 55 3.237 -14.213 4.874 1.00 0.00 N ATOM 914 CA ILE A 55 3.104 -13.394 3.678 1.00 0.00 C ATOM 915 C ILE A 55 1.756 -12.676 3.681 1.00 0.00 C ATOM 916 O ILE A 55 1.684 -11.477 3.428 1.00 0.00 O ATOM 917 CB ILE A 55 3.272 -14.233 2.380 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.728 -14.701 2.248 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.856 -13.427 1.149 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.983 -15.598 1.057 1.00 0.00 C ATOM 0 H ILE A 55 3.361 -15.209 4.692 1.00 0.00 H new ATOM 0 HA ILE A 55 3.904 -12.654 3.691 1.00 0.00 H new ATOM 0 HB ILE A 55 2.621 -15.105 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.374 -13.826 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.011 -15.232 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.983 -14.037 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.810 -13.134 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.477 -12.535 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.035 -15.884 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.365 -16.492 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.734 -15.065 0.140 1.00 0.00 H new ATOM 932 N ILE A 56 0.698 -13.410 4.010 1.00 0.00 N ATOM 933 CA ILE A 56 -0.643 -12.840 4.072 1.00 0.00 C ATOM 934 C ILE A 56 -0.765 -11.834 5.224 1.00 0.00 C ATOM 935 O ILE A 56 -1.424 -10.805 5.089 1.00 0.00 O ATOM 936 CB ILE A 56 -1.726 -13.945 4.223 1.00 0.00 C ATOM 937 CG1 ILE A 56 -1.705 -14.878 3.008 1.00 0.00 C ATOM 938 CG2 ILE A 56 -3.115 -13.329 4.400 1.00 0.00 C ATOM 939 CD1 ILE A 56 -2.676 -16.037 3.110 1.00 0.00 C ATOM 0 H ILE A 56 0.744 -14.403 4.238 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.811 -12.318 3.130 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.498 -14.527 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.937 -14.300 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.696 -15.271 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.855 -14.123 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.125 -12.705 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.356 -12.719 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.603 -16.653 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.432 -16.640 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.692 -15.653 3.205 1.00 0.00 H new ATOM 951 N ARG A 57 -0.100 -12.117 6.340 1.00 0.00 N ATOM 952 CA ARG A 57 -0.157 -11.234 7.505 1.00 0.00 C ATOM 953 C ARG A 57 0.491 -9.894 7.206 1.00 0.00 C ATOM 954 O ARG A 57 -0.080 -8.845 7.515 1.00 0.00 O ATOM 955 CB ARG A 57 0.497 -11.885 8.729 1.00 0.00 C ATOM 956 CG ARG A 57 -0.497 -12.453 9.736 1.00 0.00 C ATOM 957 CD ARG A 57 -1.355 -13.545 9.124 1.00 0.00 C ATOM 958 NE ARG A 57 -2.322 -14.097 10.078 1.00 0.00 N ATOM 959 CZ ARG A 57 -2.377 -15.387 10.427 1.00 0.00 C ATOM 960 NH1 ARG A 57 -1.442 -16.224 10.013 1.00 0.00 N ATOM 961 NH2 ARG A 57 -3.342 -15.823 11.224 1.00 0.00 N ATOM 0 H ARG A 57 0.482 -12.945 6.464 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.209 -11.062 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.156 -12.686 8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.123 -11.146 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.043 -12.853 10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.137 -11.652 10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.888 -13.144 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.712 -14.346 8.758 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.994 -13.458 10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.678 -15.886 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.484 -17.208 10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.047 -15.174 11.574 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.380 -16.808 11.487 1.00 0.00 H new ATOM 975 N GLU A 58 1.671 -9.919 6.594 1.00 0.00 N ATOM 976 CA GLU A 58 2.344 -8.686 6.234 1.00 0.00 C ATOM 977 C GLU A 58 1.646 -8.000 5.072 1.00 0.00 C ATOM 978 O GLU A 58 1.623 -6.778 4.990 1.00 0.00 O ATOM 979 CB GLU A 58 3.823 -8.913 5.932 1.00 0.00 C ATOM 980 CG GLU A 58 4.711 -8.795 7.161 1.00 0.00 C ATOM 981 CD GLU A 58 4.925 -7.360 7.597 1.00 0.00 C ATOM 982 OE1 GLU A 58 5.861 -6.708 7.082 1.00 0.00 O ATOM 983 OE2 GLU A 58 4.163 -6.879 8.459 1.00 0.00 O ATOM 0 H GLU A 58 2.172 -10.771 6.341 1.00 0.00 H new ATOM 0 HA GLU A 58 2.289 -8.024 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.950 -9.903 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.150 -8.190 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.264 -9.356 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.677 -9.254 6.951 1.00 0.00 H new ATOM 990 N LEU A 59 1.071 -8.782 4.177 1.00 0.00 N ATOM 991 CA LEU A 59 0.330 -8.247 3.053 1.00 0.00 C ATOM 992 C LEU A 59 -0.886 -7.462 3.563 1.00 0.00 C ATOM 993 O LEU A 59 -1.127 -6.322 3.160 1.00 0.00 O ATOM 994 CB LEU A 59 -0.119 -9.407 2.152 1.00 0.00 C ATOM 995 CG LEU A 59 -0.474 -9.067 0.707 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.682 -8.351 0.035 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.812 -10.335 -0.053 1.00 0.00 C ATOM 0 H LEU A 59 1.105 -9.801 4.209 1.00 0.00 H new ATOM 0 HA LEU A 59 0.962 -7.571 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.676 -10.152 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.988 -9.876 2.613 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.342 -8.407 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.414 -8.115 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.901 -7.429 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.562 -8.994 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.064 -10.085 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.047 -11.006 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.662 -10.827 0.420 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.626 -8.089 4.470 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.836 -7.509 5.065 1.00 0.00 C ATOM 1011 C ASP A 60 -2.539 -6.214 5.838 1.00 0.00 C ATOM 1012 O ASP A 60 -3.229 -5.207 5.669 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.499 -8.541 5.987 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.759 -8.037 6.654 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.822 -8.024 6.006 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.699 -7.679 7.849 1.00 0.00 O ATOM 0 H ASP A 60 -1.406 -9.022 4.819 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.516 -7.248 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.737 -9.433 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.786 -8.840 6.755 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.515 -6.237 6.675 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.153 -5.056 7.467 1.00 0.00 C ATOM 1023 C VAL A 61 -0.707 -3.875 6.575 1.00 0.00 C ATOM 1024 O VAL A 61 -1.086 -2.723 6.813 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.060 -5.393 8.526 1.00 0.00 C ATOM 1026 CG1 VAL A 61 1.166 -5.962 7.874 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.311 -4.186 9.360 1.00 0.00 C ATOM 0 H VAL A 61 -0.919 -7.050 6.829 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.053 -4.745 7.997 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.487 -6.143 9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.912 -6.188 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.904 -6.876 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.574 -5.236 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.075 -4.466 10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.697 -3.400 8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.572 -3.822 9.886 1.00 0.00 H new ATOM 1037 N VAL A 62 0.063 -4.172 5.529 1.00 0.00 N ATOM 1038 CA VAL A 62 0.568 -3.136 4.628 1.00 0.00 C ATOM 1039 C VAL A 62 -0.543 -2.565 3.749 1.00 0.00 C ATOM 1040 O VAL A 62 -0.617 -1.347 3.559 1.00 0.00 O ATOM 1041 CB VAL A 62 1.727 -3.657 3.735 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.138 -2.606 2.711 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.921 -4.044 4.591 1.00 0.00 C ATOM 0 H VAL A 62 0.351 -5.120 5.285 1.00 0.00 H new ATOM 0 HA VAL A 62 0.956 -2.340 5.263 1.00 0.00 H new ATOM 0 HB VAL A 62 1.373 -4.539 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.951 -2.994 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.286 -2.365 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.471 -1.706 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.725 -4.407 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.266 -3.173 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.629 -4.829 5.288 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.429 -3.412 3.245 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.494 -2.917 2.384 1.00 0.00 C ATOM 1055 C CYS A 63 -3.450 -2.025 3.169 1.00 0.00 C ATOM 1056 O CYS A 63 -3.978 -1.055 2.645 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.239 -4.063 1.675 1.00 0.00 C ATOM 1058 SG CYS A 63 -3.920 -5.323 2.761 1.00 0.00 S ATOM 0 H CYS A 63 -1.435 -4.418 3.411 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.035 -2.312 1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.051 -3.637 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.554 -4.541 0.975 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.729 -4.977 4.000 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.628 -2.344 4.449 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.509 -1.578 5.318 1.00 0.00 C ATOM 1066 C ALA A 64 -3.920 -0.212 5.643 1.00 0.00 C ATOM 1067 O ALA A 64 -4.618 0.802 5.578 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.762 -2.345 6.598 1.00 0.00 C ATOM 0 H ALA A 64 -3.170 -3.132 4.906 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.450 -1.423 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.422 -1.767 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.230 -3.301 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.816 -2.521 7.110 1.00 0.00 H new ATOM 1074 N MET A 65 -2.644 -0.175 5.998 1.00 0.00 N ATOM 1075 CA MET A 65 -2.004 1.095 6.331 1.00 0.00 C ATOM 1076 C MET A 65 -1.936 1.996 5.095 1.00 0.00 C ATOM 1077 O MET A 65 -2.199 3.195 5.174 1.00 0.00 O ATOM 1078 CB MET A 65 -0.605 0.881 6.932 1.00 0.00 C ATOM 1079 CG MET A 65 0.441 0.416 5.936 1.00 0.00 C ATOM 1080 SD MET A 65 2.095 0.295 6.642 1.00 0.00 S ATOM 1081 CE MET A 65 1.845 -1.016 7.826 1.00 0.00 C ATOM 0 H MET A 65 -2.038 -0.993 6.063 1.00 0.00 H new ATOM 0 HA MET A 65 -2.611 1.589 7.089 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.270 1.815 7.383 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.676 0.147 7.735 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.150 -0.558 5.542 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.463 1.107 5.094 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.642 -1.753 7.727 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.857 -0.603 8.834 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.883 -1.495 7.641 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.615 1.396 3.949 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.536 2.130 2.693 1.00 0.00 C ATOM 1093 C ILE A 66 -2.916 2.660 2.283 1.00 0.00 C ATOM 1094 O ILE A 66 -3.050 3.817 1.904 1.00 0.00 O ATOM 1095 CB ILE A 66 -0.908 1.252 1.553 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.613 1.499 1.437 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.582 1.504 0.205 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.402 1.232 2.705 1.00 0.00 C ATOM 0 H ILE A 66 -1.406 0.401 3.868 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.877 2.984 2.849 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.077 0.210 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.009 0.869 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.776 2.534 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.118 0.877 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.642 1.262 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.467 2.553 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.458 1.433 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.040 1.881 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.276 0.190 2.999 1.00 0.00 H new ATOM 1110 N GLU A 67 -3.941 1.820 2.410 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.300 2.211 2.041 1.00 0.00 C ATOM 1112 C GLU A 67 -5.846 3.265 2.986 1.00 0.00 C ATOM 1113 O GLU A 67 -6.570 4.178 2.568 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.227 0.998 1.992 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.269 0.315 0.630 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.073 1.103 -0.391 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -6.671 2.234 -0.739 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.116 0.592 -0.850 1.00 0.00 O ATOM 0 H GLU A 67 -3.857 0.867 2.764 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.256 2.646 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.905 0.275 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.235 1.311 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.252 0.182 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.701 -0.680 0.739 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.489 3.149 4.261 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.956 4.088 5.250 1.00 0.00 C ATOM 1127 C GLY A 68 -5.368 5.466 5.052 1.00 0.00 C ATOM 1128 O GLY A 68 -6.081 6.470 5.100 1.00 0.00 O ATOM 0 H GLY A 68 -4.881 2.415 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.043 4.149 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.698 3.724 6.244 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.061 5.509 4.814 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.360 6.763 4.591 1.00 0.00 C ATOM 1134 C ALA A 69 -3.750 7.351 3.247 1.00 0.00 C ATOM 1135 O ALA A 69 -3.974 8.551 3.140 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.855 6.549 4.661 1.00 0.00 C ATOM 0 H ALA A 69 -3.465 4.682 4.771 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.645 7.466 5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.344 7.497 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.588 6.163 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.553 5.833 3.896 1.00 0.00 H new ATOM 1142 N GLN A 70 -3.858 6.497 2.236 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.231 6.943 0.897 1.00 0.00 C ATOM 1144 C GLN A 70 -5.620 7.576 0.948 1.00 0.00 C ATOM 1145 O GLN A 70 -5.854 8.626 0.378 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.183 5.781 -0.106 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.037 6.201 -1.566 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.364 6.413 -2.258 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -5.904 7.517 -2.292 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -5.895 5.357 -2.812 1.00 0.00 N ATOM 0 H GLN A 70 -3.693 5.494 2.317 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.514 7.689 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.350 5.129 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.094 5.192 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.457 7.122 -1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.472 5.439 -2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.415 4.459 -2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.790 5.430 -3.295 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.502 6.940 1.705 1.00 0.00 N ATOM 1160 CA GLY A 71 -7.874 7.411 1.840 1.00 0.00 C ATOM 1161 C GLY A 71 -7.969 8.723 2.612 1.00 0.00 C ATOM 1162 O GLY A 71 -8.637 9.681 2.181 1.00 0.00 O ATOM 0 H GLY A 71 -6.292 6.095 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.308 7.544 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.467 6.651 2.348 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.270 8.770 3.736 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.295 9.930 4.615 1.00 0.00 C ATOM 1168 C ALA A 72 -6.657 11.130 3.939 1.00 0.00 C ATOM 1169 O ALA A 72 -7.264 12.203 3.835 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.588 9.622 5.925 1.00 0.00 C ATOM 0 H ALA A 72 -6.673 8.011 4.063 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.336 10.171 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.617 10.501 6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.089 8.791 6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.551 9.353 5.724 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.425 10.938 3.486 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.655 11.974 2.827 1.00 0.00 C ATOM 1178 C LEU A 73 -5.375 12.547 1.626 1.00 0.00 C ATOM 1179 O LEU A 73 -5.463 13.767 1.481 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.308 11.415 2.387 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.449 12.339 1.538 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.880 13.474 2.373 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.354 11.555 0.851 1.00 0.00 C ATOM 0 H LEU A 73 -4.931 10.049 3.569 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.514 12.780 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.742 11.141 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.483 10.497 1.826 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.078 12.786 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.270 14.120 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.696 14.054 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.265 13.064 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.747 12.230 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.725 11.075 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.799 10.794 0.209 1.00 0.00 H new ATOM 1195 N GLU A 74 -5.895 11.673 0.764 1.00 0.00 N ATOM 1196 CA GLU A 74 -6.550 12.125 -0.445 1.00 0.00 C ATOM 1197 C GLU A 74 -7.730 13.044 -0.117 1.00 0.00 C ATOM 1198 O GLU A 74 -7.929 14.058 -0.766 1.00 0.00 O ATOM 1199 CB GLU A 74 -6.913 10.941 -1.367 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.099 10.105 -0.947 1.00 0.00 C ATOM 1201 CD GLU A 74 -9.416 10.651 -1.465 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -9.408 11.352 -2.507 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -10.462 10.373 -0.852 1.00 0.00 O ATOM 0 H GLU A 74 -5.872 10.661 0.886 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.849 12.732 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.107 11.332 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.044 10.288 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.966 9.086 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.135 10.054 0.141 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.484 12.688 0.924 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.608 13.508 1.379 1.00 0.00 C ATOM 1212 C ARG A 75 -9.118 14.910 1.774 1.00 0.00 C ATOM 1213 O ARG A 75 -9.727 15.917 1.407 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.298 12.811 2.569 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.557 13.499 3.097 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.235 14.613 4.081 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.440 15.159 4.691 1.00 0.00 N ATOM 1218 CZ ARG A 75 -12.460 15.872 5.816 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -11.324 16.186 6.434 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -13.616 16.281 6.317 1.00 0.00 N ATOM 0 H ARG A 75 -8.337 11.838 1.468 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.329 13.621 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.558 11.795 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.580 12.730 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.123 13.908 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.195 12.761 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.574 14.231 4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.695 15.408 3.567 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.330 14.983 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.431 15.880 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.346 16.732 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.488 16.050 5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.634 16.827 7.178 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.015 14.963 2.500 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.446 16.233 2.956 1.00 0.00 C ATOM 1236 C GLU A 76 -6.979 17.060 1.769 1.00 0.00 C ATOM 1237 O GLU A 76 -7.392 18.211 1.598 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.254 15.971 3.877 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.577 15.127 5.091 1.00 0.00 C ATOM 1240 CD GLU A 76 -7.517 15.817 6.049 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -7.032 16.563 6.927 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -8.741 15.606 5.942 1.00 0.00 O ATOM 0 H GLU A 76 -7.488 14.140 2.791 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.218 16.780 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.469 15.477 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.851 16.927 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.022 14.187 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.652 14.879 5.612 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.120 16.471 0.953 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.585 17.163 -0.209 1.00 0.00 C ATOM 1251 C LEU A 77 -6.674 17.590 -1.182 1.00 0.00 C ATOM 1252 O LEU A 77 -6.458 18.483 -1.989 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.468 16.342 -0.905 1.00 0.00 C ATOM 1254 CG LEU A 77 -4.791 14.910 -1.339 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.651 14.888 -2.595 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.508 14.128 -1.562 1.00 0.00 C ATOM 0 H LEU A 77 -5.779 15.517 1.073 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.125 18.081 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.149 16.895 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.614 16.301 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.361 14.438 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.861 13.855 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.589 15.410 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.120 15.383 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.751 13.111 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.918 14.612 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.934 14.099 -0.636 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.857 16.975 -1.096 1.00 0.00 N ATOM 1269 CA LYS A 78 -8.953 17.336 -1.970 1.00 0.00 C ATOM 1270 C LYS A 78 -9.494 18.720 -1.631 1.00 0.00 C ATOM 1271 O LYS A 78 -9.885 19.483 -2.516 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.070 16.310 -1.879 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.830 15.056 -2.707 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.459 15.385 -4.142 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.371 14.133 -4.997 1.00 0.00 C ATOM 1276 NZ LYS A 78 -8.554 13.065 -4.355 1.00 0.00 N ATOM 0 H LYS A 78 -8.070 16.231 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.570 17.355 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.202 16.024 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.002 16.773 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.033 14.468 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.728 14.438 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.201 16.063 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.502 15.907 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.375 13.754 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.938 14.386 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.253 12.378 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.716 13.490 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.123 12.581 -3.631 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.549 19.015 -0.326 1.00 0.00 N ATOM 1291 CA ARG A 79 -10.064 20.296 0.163 1.00 0.00 C ATOM 1292 C ARG A 79 -9.162 21.431 -0.257 1.00 0.00 C ATOM 1293 O ARG A 79 -9.594 22.580 -0.376 1.00 0.00 O ATOM 1294 CB ARG A 79 -10.198 20.288 1.686 1.00 0.00 C ATOM 1295 CG ARG A 79 -11.332 19.426 2.212 1.00 0.00 C ATOM 1296 CD ARG A 79 -11.527 19.637 3.707 1.00 0.00 C ATOM 1297 NE ARG A 79 -11.639 21.063 4.040 1.00 0.00 N ATOM 1298 CZ ARG A 79 -12.795 21.728 4.162 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -13.954 21.091 4.033 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -12.787 23.029 4.420 1.00 0.00 N ATOM 0 H ARG A 79 -9.242 18.380 0.411 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.051 20.442 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.261 19.938 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.346 21.311 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.254 19.669 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.118 18.376 2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.425 19.114 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.688 19.201 4.249 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.775 21.584 4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.967 20.090 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.831 21.604 4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.901 23.523 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.667 23.536 4.513 1.00 0.00 H new ATOM 1314 N THR A 80 -7.913 21.105 -0.467 1.00 0.00 N ATOM 1315 CA THR A 80 -6.945 22.063 -0.907 1.00 0.00 C ATOM 1316 C THR A 80 -7.220 22.423 -2.355 1.00 0.00 C ATOM 1317 O THR A 80 -7.554 21.551 -3.159 1.00 0.00 O ATOM 1318 CB THR A 80 -5.528 21.479 -0.779 1.00 0.00 C ATOM 1319 OG1 THR A 80 -5.362 20.923 0.537 1.00 0.00 O ATOM 1320 CG2 THR A 80 -4.472 22.552 -1.009 1.00 0.00 C ATOM 0 H THR A 80 -7.542 20.164 -0.336 1.00 0.00 H new ATOM 0 HA THR A 80 -7.015 22.956 -0.287 1.00 0.00 H new ATOM 0 HB THR A 80 -5.403 20.704 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.532 21.261 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.479 22.112 -0.913 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.589 22.969 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.591 23.344 -0.270 1.00 0.00 H new ATOM 1328 N ASP A 81 -7.115 23.697 -2.685 1.00 0.00 N ATOM 1329 CA ASP A 81 -7.337 24.111 -4.051 1.00 0.00 C ATOM 1330 C ASP A 81 -6.197 23.610 -4.912 1.00 0.00 C ATOM 1331 O ASP A 81 -5.097 23.367 -4.412 1.00 0.00 O ATOM 1332 CB ASP A 81 -7.481 25.630 -4.167 1.00 0.00 C ATOM 1333 CG ASP A 81 -7.951 26.053 -5.548 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -8.951 25.484 -6.039 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -7.335 26.952 -6.146 1.00 0.00 O ATOM 0 H ASP A 81 -6.881 24.449 -2.036 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.275 23.678 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.189 25.985 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.523 26.103 -3.949 1.00 0.00 H new ATOM 1340 N LEU A 82 -6.441 23.463 -6.185 1.00 0.00 N ATOM 1341 CA LEU A 82 -5.434 22.908 -7.053 1.00 0.00 C ATOM 1342 C LEU A 82 -5.478 23.468 -8.459 1.00 0.00 C ATOM 1343 O LEU A 82 -6.535 23.880 -8.962 1.00 0.00 O ATOM 1344 CB LEU A 82 -5.471 21.340 -7.053 1.00 0.00 C ATOM 1345 CG LEU A 82 -6.801 20.597 -7.414 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -7.920 20.890 -6.425 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -7.247 20.886 -8.839 1.00 0.00 C ATOM 0 H LEU A 82 -7.317 23.716 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.476 23.220 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.706 20.996 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.171 21.007 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.579 19.532 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.819 20.350 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.617 20.570 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.126 21.960 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.173 20.350 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.413 21.957 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.475 20.559 -9.535 1.00 0.00 H new ATOM 1359 N ASN A 83 -4.308 23.529 -9.065 1.00 0.00 N ATOM 1360 CA ASN A 83 -4.155 23.991 -10.425 1.00 0.00 C ATOM 1361 C ASN A 83 -4.304 22.838 -11.397 1.00 0.00 C ATOM 1362 O ASN A 83 -4.453 21.687 -10.984 1.00 0.00 O ATOM 1363 CB ASN A 83 -2.791 24.642 -10.614 1.00 0.00 C ATOM 1364 CG ASN A 83 -2.705 25.964 -9.913 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -2.945 27.016 -10.506 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -2.382 25.928 -8.654 1.00 0.00 N ATOM 0 H ASN A 83 -3.431 23.256 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.934 24.727 -10.623 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.015 23.978 -10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.599 24.781 -11.678 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.319 26.794 -8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.191 25.034 -8.202 1.00 0.00 H new ATOM 1373 N ILE A 84 -4.262 23.145 -12.682 1.00 0.00 N ATOM 1374 CA ILE A 84 -4.346 22.126 -13.730 1.00 0.00 C ATOM 1375 C ILE A 84 -3.223 21.085 -13.571 1.00 0.00 C ATOM 1376 O ILE A 84 -3.423 19.883 -13.805 1.00 0.00 O ATOM 1377 CB ILE A 84 -4.295 22.757 -15.165 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -5.598 23.519 -15.488 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -4.037 21.692 -16.226 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -5.803 24.794 -14.690 1.00 0.00 C ATOM 0 H ILE A 84 -4.170 24.098 -13.033 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.310 21.629 -13.617 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.468 23.467 -15.177 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.604 23.766 -16.550 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.444 22.855 -15.310 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.007 22.159 -17.210 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.083 21.204 -16.027 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.836 20.951 -16.200 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.743 25.260 -14.984 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.833 24.557 -13.627 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.980 25.482 -14.885 1.00 0.00 H new ATOM 1392 N LEU A 85 -2.072 21.546 -13.096 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.915 20.686 -12.918 1.00 0.00 C ATOM 1394 C LEU A 85 -1.116 19.816 -11.694 1.00 0.00 C ATOM 1395 O LEU A 85 -0.898 18.604 -11.734 1.00 0.00 O ATOM 1396 CB LEU A 85 0.348 21.538 -12.746 1.00 0.00 C ATOM 1397 CG LEU A 85 1.646 20.766 -12.477 1.00 0.00 C ATOM 1398 CD1 LEU A 85 1.948 19.800 -13.613 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.805 21.728 -12.268 1.00 0.00 C ATOM 0 H LEU A 85 -1.918 22.518 -12.826 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.799 20.053 -13.798 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.484 22.137 -13.647 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.184 22.233 -11.923 1.00 0.00 H new ATOM 0 HG LEU A 85 1.513 20.184 -11.565 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.873 19.265 -13.399 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.130 19.086 -13.711 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.058 20.356 -14.544 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.717 21.163 -12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.936 22.339 -13.161 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.594 22.372 -11.415 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.551 20.441 -10.611 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.806 19.738 -9.373 1.00 0.00 C ATOM 1413 C GLU A 86 -2.895 18.700 -9.564 1.00 0.00 C ATOM 1414 O GLU A 86 -2.792 17.599 -9.044 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.185 20.717 -8.274 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.063 21.654 -7.877 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.513 22.695 -6.892 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -2.214 23.629 -7.310 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -1.179 22.580 -5.698 1.00 0.00 O ATOM 0 H GLU A 86 -1.735 21.443 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.893 19.223 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.039 21.308 -8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.506 20.157 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.246 21.077 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.670 22.145 -8.767 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.943 19.059 -10.318 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.015 18.116 -10.629 1.00 0.00 C ATOM 1428 C ARG A 87 -4.438 16.859 -11.248 1.00 0.00 C ATOM 1429 O ARG A 87 -4.745 15.744 -10.824 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.034 18.731 -11.596 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.138 17.765 -12.001 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.059 18.359 -13.052 1.00 0.00 C ATOM 1433 NE ARG A 87 -9.054 17.384 -13.503 1.00 0.00 N ATOM 1434 CZ ARG A 87 -9.820 17.523 -14.588 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -9.731 18.616 -15.341 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -10.675 16.565 -14.919 1.00 0.00 N ATOM 0 H ARG A 87 -4.067 19.989 -10.719 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.523 17.871 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.482 19.609 -11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.514 19.074 -12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.693 16.848 -12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.721 17.492 -11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.564 19.234 -12.643 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.470 18.700 -13.903 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.171 16.536 -12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.074 19.355 -15.091 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.320 18.715 -16.168 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.746 15.725 -14.345 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.261 16.669 -15.747 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.591 17.058 -12.255 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.945 15.957 -12.945 1.00 0.00 C ATOM 1452 C PHE A 88 -2.079 15.141 -11.986 1.00 0.00 C ATOM 1453 O PHE A 88 -2.112 13.918 -12.009 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.110 16.481 -14.119 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.287 15.426 -14.799 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.895 14.377 -15.472 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.094 15.483 -14.760 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -1.137 13.404 -16.094 1.00 0.00 C ATOM 1459 CE2 PHE A 88 0.858 14.514 -15.380 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.241 13.473 -16.046 1.00 0.00 C ATOM 0 H PHE A 88 -3.338 17.980 -12.609 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.720 15.298 -13.337 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.777 16.936 -14.852 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.448 17.268 -13.758 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.973 14.320 -15.510 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.581 16.294 -14.239 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.621 12.592 -16.616 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.936 14.570 -15.344 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.837 12.713 -16.529 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.321 15.827 -11.137 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.464 15.152 -10.157 1.00 0.00 C ATOM 1472 C ASN A 89 -1.291 14.305 -9.196 1.00 0.00 C ATOM 1473 O ASN A 89 -0.992 13.130 -8.983 1.00 0.00 O ATOM 1474 CB ASN A 89 0.395 16.161 -9.387 1.00 0.00 C ATOM 1475 CG ASN A 89 1.571 16.657 -10.207 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.115 15.926 -11.037 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.974 17.890 -9.985 1.00 0.00 N ATOM 0 H ASN A 89 -1.279 16.846 -11.104 1.00 0.00 H new ATOM 0 HA ASN A 89 0.204 14.488 -10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.222 17.009 -9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.762 15.698 -8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.762 18.271 -10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.498 18.465 -9.290 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.324 14.911 -8.616 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.250 14.204 -7.725 1.00 0.00 C ATOM 1486 C TYR A 90 -3.813 12.972 -8.415 1.00 0.00 C ATOM 1487 O TYR A 90 -3.747 11.856 -7.888 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.414 15.130 -7.353 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.104 16.184 -6.315 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.824 16.700 -6.158 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.106 16.664 -5.495 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.557 17.663 -5.210 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.855 17.624 -4.545 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.575 18.124 -4.404 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.313 19.086 -3.456 1.00 0.00 O ATOM 0 H TYR A 90 -2.545 15.898 -8.747 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.705 13.903 -6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.762 15.628 -8.258 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.239 14.518 -6.988 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.025 16.340 -6.789 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.108 16.276 -5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.556 18.054 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.653 17.985 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.138 19.302 -2.973 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.375 13.202 -9.588 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.954 12.152 -10.404 1.00 0.00 C ATOM 1507 C GLU A 91 -3.942 11.042 -10.671 1.00 0.00 C ATOM 1508 O GLU A 91 -4.218 9.874 -10.416 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.461 12.746 -11.719 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.146 11.739 -12.628 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.656 12.364 -13.903 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -7.792 12.890 -13.899 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -5.930 12.338 -14.916 1.00 0.00 O ATOM 0 H GLU A 91 -4.443 14.131 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.791 11.711 -9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.159 13.553 -11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.621 13.190 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.445 10.941 -12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.978 11.280 -12.094 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.761 11.421 -11.143 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.728 10.463 -11.502 1.00 0.00 C ATOM 1522 C GLU A 92 -1.268 9.640 -10.300 1.00 0.00 C ATOM 1523 O GLU A 92 -1.104 8.424 -10.401 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.529 11.170 -12.136 1.00 0.00 C ATOM 1525 CG GLU A 92 0.454 10.224 -12.802 1.00 0.00 C ATOM 1526 CD GLU A 92 -0.116 9.584 -14.047 1.00 0.00 C ATOM 1527 OE1 GLU A 92 -0.966 8.683 -13.924 1.00 0.00 O ATOM 1528 OE2 GLU A 92 0.275 9.988 -15.155 1.00 0.00 O ATOM 0 H GLU A 92 -2.495 12.395 -11.286 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.167 9.780 -12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.889 11.885 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.007 11.741 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.361 10.770 -13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.741 9.445 -12.095 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.082 10.302 -9.156 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.595 9.631 -7.957 1.00 0.00 C ATOM 1537 C ALA A 93 -1.574 8.563 -7.509 1.00 0.00 C ATOM 1538 O ALA A 93 -1.190 7.423 -7.231 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.356 10.641 -6.840 1.00 0.00 C ATOM 0 H ALA A 93 -1.262 11.299 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 93 0.353 9.149 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.007 10.123 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.386 11.372 -7.163 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.290 11.152 -6.605 1.00 0.00 H new ATOM 1545 N GLN A 94 -2.846 8.932 -7.456 1.00 0.00 N ATOM 1546 CA GLN A 94 -3.890 8.010 -7.057 1.00 0.00 C ATOM 1547 C GLN A 94 -4.070 6.925 -8.119 1.00 0.00 C ATOM 1548 O GLN A 94 -4.366 5.777 -7.799 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.194 8.768 -6.798 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.341 7.901 -6.305 1.00 0.00 C ATOM 1551 CD GLN A 94 -7.505 8.727 -5.799 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.377 9.127 -6.568 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.535 8.979 -4.501 1.00 0.00 N ATOM 0 H GLN A 94 -3.177 9.869 -7.686 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.601 7.520 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.005 9.550 -6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.500 9.264 -7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.681 7.255 -7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.985 7.250 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.792 8.629 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.301 9.523 -4.105 1.00 0.00 H new ATOM 1562 N THR A 95 -3.866 7.302 -9.381 1.00 0.00 N ATOM 1563 CA THR A 95 -3.921 6.352 -10.485 1.00 0.00 C ATOM 1564 C THR A 95 -2.885 5.248 -10.279 1.00 0.00 C ATOM 1565 O THR A 95 -3.197 4.059 -10.396 1.00 0.00 O ATOM 1566 CB THR A 95 -3.673 7.048 -11.848 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.735 7.971 -12.117 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.583 6.029 -12.978 1.00 0.00 C ATOM 0 H THR A 95 -3.661 8.261 -9.662 1.00 0.00 H new ATOM 0 HA THR A 95 -4.922 5.920 -10.500 1.00 0.00 H new ATOM 0 HB THR A 95 -2.724 7.581 -11.792 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.809 8.610 -11.377 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.409 6.546 -13.921 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.760 5.342 -12.784 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.516 5.469 -13.038 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.662 5.646 -9.933 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.601 4.687 -9.686 1.00 0.00 C ATOM 1578 C LEU A 96 -0.941 3.844 -8.471 1.00 0.00 C ATOM 1579 O LEU A 96 -0.702 2.638 -8.453 1.00 0.00 O ATOM 1580 CB LEU A 96 0.744 5.391 -9.476 1.00 0.00 C ATOM 1581 CG LEU A 96 1.240 6.249 -10.645 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.550 6.933 -10.288 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.405 5.405 -11.903 1.00 0.00 C ATOM 0 H LEU A 96 -1.388 6.622 -9.819 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.513 4.043 -10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.666 6.025 -8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.498 4.634 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 96 0.492 7.017 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.886 7.538 -11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.401 7.573 -9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.303 6.179 -10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.758 6.035 -12.720 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.130 4.612 -11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.446 4.964 -12.173 1.00 0.00 H new ATOM 1595 N SER A 97 -1.518 4.490 -7.459 1.00 0.00 N ATOM 1596 CA SER A 97 -1.930 3.813 -6.242 1.00 0.00 C ATOM 1597 C SER A 97 -2.890 2.665 -6.553 1.00 0.00 C ATOM 1598 O SER A 97 -2.734 1.560 -6.047 1.00 0.00 O ATOM 1599 CB SER A 97 -2.578 4.803 -5.265 1.00 0.00 C ATOM 1600 OG SER A 97 -3.006 4.156 -4.075 1.00 0.00 O ATOM 0 H SER A 97 -1.710 5.492 -7.464 1.00 0.00 H new ATOM 0 HA SER A 97 -1.040 3.395 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.865 5.590 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.430 5.285 -5.745 1.00 0.00 H new ATOM 0 HG SER A 97 -3.971 3.990 -4.122 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.875 2.947 -7.415 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.888 1.962 -7.789 1.00 0.00 C ATOM 1608 C LYS A 98 -4.243 0.782 -8.501 1.00 0.00 C ATOM 1609 O LYS A 98 -4.588 -0.375 -8.253 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.948 2.589 -8.707 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.697 3.782 -8.109 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.968 3.373 -7.359 1.00 0.00 C ATOM 1613 CE LYS A 98 -7.672 2.662 -6.049 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.911 2.408 -5.268 1.00 0.00 N ATOM 0 H LYS A 98 -3.989 3.855 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.370 1.616 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.464 2.908 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.674 1.822 -8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.035 4.316 -7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.960 4.477 -8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.568 4.260 -7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.566 2.720 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.171 1.716 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.985 3.265 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.669 1.922 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.376 3.313 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.556 1.812 -5.825 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.293 1.084 -9.379 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.583 0.058 -10.124 1.00 0.00 C ATOM 1630 C ILE A 99 -1.788 -0.832 -9.171 1.00 0.00 C ATOM 1631 O ILE A 99 -1.801 -2.063 -9.288 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.623 0.685 -11.164 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.406 1.573 -12.138 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.868 -0.404 -11.920 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.535 2.349 -13.107 1.00 0.00 C ATOM 0 H ILE A 99 -2.998 2.037 -9.591 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.324 -0.542 -10.652 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.895 1.303 -10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.096 0.950 -12.706 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.010 2.277 -11.565 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.198 0.055 -12.647 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.287 -0.999 -11.216 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.579 -1.047 -12.438 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.166 2.952 -13.761 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.862 3.001 -12.550 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.950 1.653 -13.708 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.116 -0.197 -8.217 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.325 -0.909 -7.226 1.00 0.00 C ATOM 1649 C LEU A 100 -1.211 -1.797 -6.365 1.00 0.00 C ATOM 1650 O LEU A 100 -0.866 -2.937 -6.062 1.00 0.00 O ATOM 1651 CB LEU A 100 0.454 0.072 -6.345 1.00 0.00 C ATOM 1652 CG LEU A 100 1.484 0.945 -7.068 1.00 0.00 C ATOM 1653 CD1 LEU A 100 2.136 1.914 -6.097 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.538 0.082 -7.751 1.00 0.00 C ATOM 0 H LEU A 100 -1.105 0.817 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 100 0.388 -1.540 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.260 0.725 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.968 -0.495 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 100 0.966 1.521 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.865 2.526 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.373 2.557 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.638 1.355 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.260 0.722 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.052 -0.523 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.057 -0.571 -8.479 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.372 -1.264 -5.992 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.332 -1.992 -5.180 1.00 0.00 C ATOM 1668 C LEU A 101 -3.867 -3.204 -5.925 1.00 0.00 C ATOM 1669 O LEU A 101 -3.955 -4.290 -5.359 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.493 -1.083 -4.759 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.141 0.090 -3.833 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.375 0.914 -3.529 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.503 -0.412 -2.545 1.00 0.00 C ATOM 0 H LEU A 101 -2.669 -0.321 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.814 -2.335 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.955 -0.680 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.245 -1.697 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.419 0.725 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.107 1.741 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.788 1.308 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.119 0.287 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.262 0.436 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.199 -1.072 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.591 -0.960 -2.780 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.220 -3.026 -7.198 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.731 -4.132 -7.994 1.00 0.00 C ATOM 1687 C LYS A 102 -3.681 -5.228 -8.129 1.00 0.00 C ATOM 1688 O LYS A 102 -4.004 -6.412 -8.007 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.174 -3.659 -9.381 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.919 -4.725 -10.176 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.233 -4.265 -11.592 1.00 0.00 C ATOM 1692 CE LYS A 102 -4.969 -4.139 -12.432 1.00 0.00 C ATOM 1693 NZ LYS A 102 -5.281 -3.848 -13.850 1.00 0.00 N ATOM 0 H LYS A 102 -4.161 -2.136 -7.692 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.600 -4.537 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.815 -2.785 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.297 -3.342 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.319 -5.634 -10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.847 -4.978 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.915 -4.973 -12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.746 -3.304 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.341 -3.346 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.396 -5.064 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.396 -3.769 -14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.860 -4.617 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.806 -2.953 -13.913 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.429 -4.848 -8.373 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.361 -5.842 -8.498 1.00 0.00 C ATOM 1709 C ASP A 103 -1.167 -6.561 -7.171 1.00 0.00 C ATOM 1710 O ASP A 103 -0.874 -7.761 -7.136 1.00 0.00 O ATOM 1711 CB ASP A 103 -0.046 -5.189 -8.929 1.00 0.00 C ATOM 1712 CG ASP A 103 0.937 -6.197 -9.494 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.696 -6.807 -8.718 1.00 0.00 O ATOM 1714 OD2 ASP A 103 0.949 -6.387 -10.729 1.00 0.00 O ATOM 0 H ASP A 103 -2.131 -3.879 -8.487 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.653 -6.560 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.251 -4.424 -9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.404 -4.685 -8.074 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.355 -5.836 -6.072 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.242 -6.412 -4.748 1.00 0.00 C ATOM 1721 C LEU A 104 -2.343 -7.456 -4.554 1.00 0.00 C ATOM 1722 O LEU A 104 -2.097 -8.553 -4.048 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.373 -5.303 -3.698 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.908 -5.648 -2.288 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.595 -5.843 -2.258 1.00 0.00 C ATOM 1726 CD2 LEU A 104 -1.324 -4.558 -1.316 1.00 0.00 C ATOM 0 H LEU A 104 -1.587 -4.843 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.271 -6.894 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.807 -4.437 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.419 -5.001 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.380 -6.582 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.910 -6.089 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.870 -6.656 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.087 -4.925 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.986 -4.817 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.876 -3.611 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.410 -4.462 -1.319 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.565 -7.087 -4.953 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.714 -7.994 -4.897 1.00 0.00 C ATOM 1740 C LYS A 105 -4.450 -9.255 -5.707 1.00 0.00 C ATOM 1741 O LYS A 105 -4.819 -10.348 -5.295 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.984 -7.302 -5.416 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.390 -6.055 -4.633 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.630 -6.358 -3.158 1.00 0.00 C ATOM 1745 CE LYS A 105 -7.818 -7.286 -2.957 1.00 0.00 C ATOM 1746 NZ LYS A 105 -7.980 -7.662 -1.534 1.00 0.00 N ATOM 0 H LYS A 105 -3.783 -6.161 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.865 -8.271 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.832 -7.027 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.808 -8.016 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.610 -5.299 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.296 -5.633 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.737 -6.814 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.802 -5.426 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.726 -6.798 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.684 -8.185 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.608 -8.488 -1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.051 -7.897 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.395 -6.865 -1.009 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.805 -9.101 -6.856 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.456 -10.246 -7.686 1.00 0.00 C ATOM 1762 C GLU A 106 -2.532 -11.177 -6.903 1.00 0.00 C ATOM 1763 O GLU A 106 -2.663 -12.398 -6.961 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.760 -9.777 -8.973 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.415 -10.897 -9.955 1.00 0.00 C ATOM 1766 CD GLU A 106 -3.634 -11.471 -10.649 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -4.082 -10.876 -11.659 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -4.146 -12.517 -10.203 1.00 0.00 O ATOM 0 H GLU A 106 -3.514 -8.199 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.366 -10.782 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.404 -9.056 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.843 -9.252 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.723 -10.515 -10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.898 -11.695 -9.421 1.00 0.00 H new ATOM 1775 N THR A 107 -1.627 -10.577 -6.139 1.00 0.00 N ATOM 1776 CA THR A 107 -0.657 -11.319 -5.354 1.00 0.00 C ATOM 1777 C THR A 107 -1.346 -12.205 -4.303 1.00 0.00 C ATOM 1778 O THR A 107 -1.125 -13.420 -4.273 1.00 0.00 O ATOM 1779 CB THR A 107 0.307 -10.344 -4.645 1.00 0.00 C ATOM 1780 OG1 THR A 107 0.865 -9.429 -5.603 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.436 -11.096 -3.950 1.00 0.00 C ATOM 0 H THR A 107 -1.548 -9.564 -6.049 1.00 0.00 H new ATOM 0 HA THR A 107 -0.100 -11.961 -6.036 1.00 0.00 H new ATOM 0 HB THR A 107 -0.260 -9.795 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.164 -8.826 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.099 -10.384 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.018 -11.774 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.000 -11.668 -4.687 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.184 -11.598 -3.452 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.899 -12.347 -2.409 1.00 0.00 C ATOM 1791 C GLU A 108 -3.720 -13.491 -3.008 1.00 0.00 C ATOM 1792 O GLU A 108 -3.746 -14.592 -2.461 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.786 -11.416 -1.561 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.934 -10.776 -2.306 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.884 -10.049 -1.386 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -5.632 -8.870 -1.072 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.899 -10.649 -0.981 1.00 0.00 O ATOM 0 H GLU A 108 -2.383 -10.598 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.150 -12.786 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.189 -11.986 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.162 -10.628 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.540 -10.076 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.480 -11.543 -2.855 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.370 -13.225 -4.134 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.172 -14.231 -4.815 1.00 0.00 C ATOM 1806 C GLN A 109 -4.319 -15.420 -5.255 1.00 0.00 C ATOM 1807 O GLN A 109 -4.724 -16.570 -5.098 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.913 -13.613 -5.995 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.948 -12.583 -5.571 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.582 -11.861 -6.737 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -6.963 -11.666 -7.780 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -8.822 -11.455 -6.568 1.00 0.00 N ATOM 0 H GLN A 109 -4.356 -12.316 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.912 -14.609 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.192 -13.142 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.405 -14.403 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.727 -13.078 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.476 -11.853 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.302 -11.636 -5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -9.303 -10.959 -7.318 1.00 0.00 H new ATOM 1821 N LYS A 110 -3.130 -15.133 -5.782 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.200 -16.180 -6.219 1.00 0.00 C ATOM 1823 C LYS A 110 -1.749 -17.027 -5.030 1.00 0.00 C ATOM 1824 O LYS A 110 -1.649 -18.259 -5.116 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.990 -15.558 -6.916 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.336 -14.808 -8.194 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.147 -14.022 -8.731 1.00 0.00 C ATOM 1828 CE LYS A 110 0.985 -14.933 -9.173 1.00 0.00 C ATOM 1829 NZ LYS A 110 0.597 -15.782 -10.323 1.00 0.00 N ATOM 0 H LYS A 110 -2.785 -14.183 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.717 -16.827 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.497 -14.873 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.273 -16.345 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.674 -15.516 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.165 -14.127 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.468 -13.409 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.215 -13.341 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.851 -14.330 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.286 -15.567 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.444 -16.235 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.070 -16.514 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.144 -15.194 -11.052 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.486 -16.354 -3.918 1.00 0.00 N ATOM 1844 CA VAL A 111 -1.095 -17.023 -2.685 1.00 0.00 C ATOM 1845 C VAL A 111 -2.201 -17.983 -2.252 1.00 0.00 C ATOM 1846 O VAL A 111 -1.945 -19.116 -1.852 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.821 -15.996 -1.554 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -0.512 -16.697 -0.245 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.320 -15.067 -1.941 1.00 0.00 C ATOM 0 H VAL A 111 -1.537 -15.338 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.176 -17.578 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.723 -15.400 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.324 -15.954 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.360 -17.317 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.371 -17.324 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.498 -14.354 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.223 -15.652 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.058 -14.528 -2.852 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.437 -17.517 -2.369 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.605 -18.322 -2.048 1.00 0.00 C ATOM 1861 C LYS A 112 -4.748 -19.480 -3.037 1.00 0.00 C ATOM 1862 O LYS A 112 -5.353 -20.503 -2.729 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.863 -17.449 -2.073 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.855 -16.326 -1.046 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.952 -15.312 -1.328 1.00 0.00 C ATOM 1866 CE LYS A 112 -6.892 -14.135 -0.362 1.00 0.00 C ATOM 1867 NZ LYS A 112 -7.196 -14.539 1.032 1.00 0.00 N ATOM 0 H LYS A 112 -3.657 -16.573 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.478 -18.737 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.974 -17.018 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.735 -18.080 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.990 -16.742 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.885 -15.828 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.857 -14.948 -2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.925 -15.797 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.900 -13.686 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.600 -13.370 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.210 -13.697 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.125 -15.005 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.466 -15.199 1.369 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.179 -19.308 -4.227 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.235 -20.336 -5.260 1.00 0.00 C ATOM 1883 C ASP A 113 -3.243 -21.450 -4.997 1.00 0.00 C ATOM 1884 O ASP A 113 -3.412 -22.569 -5.488 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.997 -19.757 -6.657 1.00 0.00 C ATOM 1886 CG ASP A 113 -5.179 -18.982 -7.185 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -6.328 -19.452 -7.019 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -4.970 -17.913 -7.789 1.00 0.00 O ATOM 0 H ASP A 113 -3.673 -18.465 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.243 -20.749 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.125 -19.104 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.765 -20.569 -7.346 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.213 -21.161 -4.207 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.181 -22.138 -3.895 1.00 0.00 C ATOM 1895 C ILE A 114 -1.679 -23.118 -2.822 1.00 0.00 C ATOM 1896 O ILE A 114 -2.515 -22.767 -1.985 1.00 0.00 O ATOM 1897 CB ILE A 114 0.125 -21.408 -3.420 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.211 -21.500 -4.489 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.642 -21.931 -2.080 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.818 -20.882 -5.817 1.00 0.00 C ATOM 0 H ILE A 114 -2.073 -20.250 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.950 -22.708 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.138 -20.361 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.111 -21.007 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.464 -22.548 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.546 -21.389 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.119 -21.783 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.868 -22.994 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.641 -20.986 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.064 -21.390 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.594 -19.825 -5.674 1.00 0.00 H new ATOM 1912 N GLN A 115 -1.187 -24.350 -2.876 1.00 0.00 N ATOM 1913 CA GLN A 115 -1.547 -25.354 -1.891 1.00 0.00 C ATOM 1914 C GLN A 115 -0.560 -25.332 -0.724 1.00 0.00 C ATOM 1915 O GLN A 115 0.523 -24.769 -0.839 1.00 0.00 O ATOM 1916 CB GLN A 115 -1.631 -26.733 -2.550 1.00 0.00 C ATOM 1917 CG GLN A 115 -0.302 -27.272 -3.061 1.00 0.00 C ATOM 1918 CD GLN A 115 -0.442 -28.642 -3.686 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -1.491 -28.985 -4.223 1.00 0.00 O ATOM 1920 NE2 GLN A 115 0.608 -29.433 -3.625 1.00 0.00 N ATOM 0 H GLN A 115 -0.538 -24.675 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.532 -25.125 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -2.043 -27.441 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.332 -26.681 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.110 -26.580 -3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.409 -27.322 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.463 -29.112 -3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 115 0.567 -30.367 -4.033 1.00 0.00 H new ATOM 1929 N THR A 116 -0.915 -25.983 0.368 1.00 0.00 N ATOM 1930 CA THR A 116 -0.121 -25.900 1.595 1.00 0.00 C ATOM 1931 C THR A 116 -0.316 -27.136 2.464 1.00 0.00 C ATOM 1932 O THR A 116 -1.338 -27.820 2.354 1.00 0.00 O ATOM 1933 CB THR A 116 -0.468 -24.650 2.430 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.886 -24.436 2.425 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.246 -23.418 1.890 1.00 0.00 C ATOM 0 H THR A 116 -1.743 -26.574 0.438 1.00 0.00 H new ATOM 0 HA THR A 116 0.919 -25.833 1.277 1.00 0.00 H new ATOM 0 HB THR A 116 -0.132 -24.818 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.099 -23.642 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.016 -22.551 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.324 -23.576 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.058 -23.244 0.858 1.00 0.00 H new ATOM 1943 N GLN A 117 0.649 -27.432 3.318 1.00 0.00 N ATOM 1944 CA GLN A 117 0.527 -28.558 4.225 1.00 0.00 C ATOM 1945 C GLN A 117 0.039 -28.104 5.596 1.00 0.00 C ATOM 1946 O GLN A 117 0.796 -28.240 6.576 1.00 0.00 O ATOM 1947 CB GLN A 117 1.861 -29.294 4.354 1.00 0.00 C ATOM 1948 CG GLN A 117 2.329 -29.969 3.072 1.00 0.00 C ATOM 1949 CD GLN A 117 1.389 -31.071 2.619 1.00 0.00 C ATOM 1950 OE1 GLN A 117 1.532 -32.226 3.019 1.00 0.00 O ATOM 1951 NE2 GLN A 117 0.428 -30.730 1.783 1.00 0.00 N ATOM 1952 OXT GLN A 117 -1.101 -27.608 5.688 1.00 0.00 O ATOM 0 H GLN A 117 1.522 -26.910 3.402 1.00 0.00 H new ATOM 0 HA GLN A 117 -0.211 -29.245 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 117 2.624 -28.586 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 117 1.773 -30.048 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 117 2.415 -29.222 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 117 3.324 -30.386 3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.341 -29.762 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.228 -31.434 1.446 1.00 0.00 H new TER 1961 GLN A 117