USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 792 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 86 HIS : no HE2:sc= -1.53 K(o=-2.5,f=-3.1) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -121:sc= -0.991 (180deg=-0.729) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.694 K(o=-0.13,f=-4.5) USER MOD Set 2.2: A 81 SER OG : rot 167:sc= 0.567 USER MOD Set 3.1: A 29 ASN :FLIP amide:sc= -9.83! C(o=-17!,f=-15!) USER MOD Set 3.2: A 74 GLN :FLIP amide:sc= -5.28! C(o=-17!,f=-15!) USER MOD Set 4.1: A 36 HIS : no HD1:sc= 0 X(o=-0.031,f=-0.031) USER MOD Set 4.2: A 66 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.22) USER MOD Set 5.1: A 35 HIS : no HD1:sc= -0.546 K(o=-0.55,f=-3.1!) USER MOD Set 5.2: A 38 GLN :FLIP amide:sc=-0.000515 F(o=-2.2!,f=-0.55) USER MOD Set 6.1: A 20 ASN : amide:sc= -8.08! C(o=-8.5!,f=-12!) USER MOD Set 6.2: A 30 MET CE :methyl 171:sc= -0.445 (180deg=-0.155) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.03) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.669 F(o=-1.8,f=-0.67) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.42) USER MOD Single : A 21 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.11) USER MOD Single : A 24 GLN : amide:sc= -2.01 X(o=-2,f=-1.7) USER MOD Single : A 27 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.041) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= -0.145 (180deg=-1.28!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -5.95! C(o=-9.5!,f=-5.9!) USER MOD Single : A 53 SER OG : rot 130:sc= -1.25 USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= -0.454 (180deg=-2.13!) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.976 F(o=-3.5!,f=-0.98) USER MOD Single : A 60 MET CE :methyl 149:sc= -2.62 (180deg=-5.34!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.887 F(o=-2.3!,f=-0.89) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00907 K(o=-0.0091,f=-1.1) USER MOD Single : A 76 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.1!) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.49! C(o=-4.6!,f=-1.5!) USER MOD Single : A 83 HIS : no HE2:sc= 0.0308 X(o=0.031,f=-0.14) USER MOD Single : A 84 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.56) USER MOD Single : A 88 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.9!) USER MOD Single : A 94 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0.046) USER MOD Single : A 95 HIS : no HD1:sc= -3.12 X(o=-3.1,f=-3.3) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 1.242 -13.966 -11.201 1.00 0.00 N ATOM 42 CA GLY A 3 2.058 -12.865 -11.784 1.00 0.00 C ATOM 43 C GLY A 3 1.327 -11.532 -11.609 1.00 0.00 C ATOM 44 O GLY A 3 1.917 -10.474 -11.691 1.00 0.00 O ATOM 0 HA2 GLY A 3 3.032 -12.823 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.240 -13.055 -12.842 1.00 0.00 H new ATOM 48 N LYS A 4 0.045 -11.574 -11.368 1.00 0.00 N ATOM 49 CA LYS A 4 -0.723 -10.309 -11.190 1.00 0.00 C ATOM 50 C LYS A 4 -0.169 -9.536 -9.992 1.00 0.00 C ATOM 51 O LYS A 4 -0.283 -8.330 -9.917 1.00 0.00 O ATOM 52 CB LYS A 4 -2.198 -10.634 -10.950 1.00 0.00 C ATOM 53 CG LYS A 4 -2.613 -11.797 -11.854 1.00 0.00 C ATOM 54 CD LYS A 4 -4.139 -11.821 -11.998 1.00 0.00 C ATOM 55 CE LYS A 4 -4.519 -11.622 -13.466 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.159 -12.843 -14.240 1.00 0.00 N ATOM 0 H LYS A 4 -0.504 -12.430 -11.287 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.628 -9.700 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.359 -10.896 -9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.814 -9.759 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.147 -11.693 -12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.263 -12.740 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.534 -12.770 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.584 -11.036 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.587 -11.425 -13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.000 -10.754 -13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.566 -12.781 -15.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.124 -12.918 -14.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.536 -13.684 -13.757 1.00 0.00 H new ATOM 70 N LEU A 5 0.433 -10.216 -9.052 1.00 0.00 N ATOM 71 CA LEU A 5 0.990 -9.499 -7.871 1.00 0.00 C ATOM 72 C LEU A 5 1.839 -8.333 -8.369 1.00 0.00 C ATOM 73 O LEU A 5 1.575 -7.188 -8.062 1.00 0.00 O ATOM 74 CB LEU A 5 1.875 -10.437 -7.045 1.00 0.00 C ATOM 75 CG LEU A 5 1.057 -11.539 -6.337 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.453 -11.272 -6.394 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.356 -12.888 -6.990 1.00 0.00 C ATOM 0 H LEU A 5 0.562 -11.228 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 5 0.171 -9.144 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.617 -10.899 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.420 -9.857 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 5 1.351 -11.545 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.984 -12.075 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.673 -10.323 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.776 -11.229 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.780 -13.669 -6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.082 -12.851 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.420 -13.108 -6.899 1.00 0.00 H new ATOM 89 N ASN A 6 2.854 -8.610 -9.143 1.00 0.00 N ATOM 90 CA ASN A 6 3.702 -7.504 -9.661 1.00 0.00 C ATOM 91 C ASN A 6 2.785 -6.335 -10.017 1.00 0.00 C ATOM 92 O ASN A 6 3.133 -5.184 -9.850 1.00 0.00 O ATOM 93 CB ASN A 6 4.480 -7.989 -10.897 1.00 0.00 C ATOM 94 CG ASN A 6 4.118 -7.150 -12.126 1.00 0.00 C ATOM 95 OD1 ASN A 6 2.959 -7.324 -12.702 1.00 0.00 O flip ATOM 96 ND2 ASN A 6 4.897 -6.327 -12.566 1.00 0.00 N flip ATOM 0 H ASN A 6 3.129 -9.548 -9.436 1.00 0.00 H new ATOM 0 HA ASN A 6 4.426 -7.184 -8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.551 -7.923 -10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.254 -9.038 -11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.802 -6.190 -12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.645 -5.773 -13.385 1.00 0.00 H new ATOM 103 N ASP A 7 1.599 -6.628 -10.484 1.00 0.00 N ATOM 104 CA ASP A 7 0.648 -5.537 -10.820 1.00 0.00 C ATOM 105 C ASP A 7 0.201 -4.885 -9.513 1.00 0.00 C ATOM 106 O ASP A 7 0.122 -3.678 -9.401 1.00 0.00 O ATOM 107 CB ASP A 7 -0.562 -6.116 -11.555 1.00 0.00 C ATOM 108 CG ASP A 7 -0.976 -5.174 -12.687 1.00 0.00 C ATOM 109 OD1 ASP A 7 -0.407 -5.283 -13.760 1.00 0.00 O ATOM 110 OD2 ASP A 7 -1.855 -4.359 -12.460 1.00 0.00 O ATOM 0 H ASP A 7 1.252 -7.574 -10.645 1.00 0.00 H new ATOM 0 HA ASP A 7 1.125 -4.800 -11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.319 -7.099 -11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.391 -6.252 -10.860 1.00 0.00 H new ATOM 115 N LEU A 8 -0.065 -5.683 -8.512 1.00 0.00 N ATOM 116 CA LEU A 8 -0.473 -5.117 -7.197 1.00 0.00 C ATOM 117 C LEU A 8 0.756 -4.454 -6.575 1.00 0.00 C ATOM 118 O LEU A 8 0.709 -3.338 -6.099 1.00 0.00 O ATOM 119 CB LEU A 8 -0.956 -6.249 -6.276 1.00 0.00 C ATOM 120 CG LEU A 8 -2.475 -6.178 -6.070 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.882 -4.770 -5.635 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.188 -6.537 -7.375 1.00 0.00 C ATOM 0 H LEU A 8 -0.017 -6.701 -8.550 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.280 -4.396 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.688 -7.213 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.451 -6.180 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.760 -6.886 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.962 -4.731 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.383 -4.520 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.592 -4.054 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.267 -6.486 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.896 -5.834 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.911 -7.547 -7.675 1.00 0.00 H new ATOM 134 N LEU A 9 1.860 -5.151 -6.588 1.00 0.00 N ATOM 135 CA LEU A 9 3.119 -4.601 -6.014 1.00 0.00 C ATOM 136 C LEU A 9 3.465 -3.272 -6.687 1.00 0.00 C ATOM 137 O LEU A 9 3.469 -2.228 -6.063 1.00 0.00 O ATOM 138 CB LEU A 9 4.252 -5.597 -6.265 1.00 0.00 C ATOM 139 CG LEU A 9 5.477 -5.199 -5.443 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.449 -6.377 -5.372 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.173 -4.004 -6.102 1.00 0.00 C ATOM 0 H LEU A 9 1.943 -6.090 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 9 2.988 -4.437 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.932 -6.603 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.504 -5.617 -7.325 1.00 0.00 H new ATOM 0 HG LEU A 9 5.162 -4.925 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.323 -6.093 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.956 -7.227 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.762 -6.652 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.046 -3.722 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.487 -4.276 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.482 -3.163 -6.152 1.00 0.00 H new ATOM 153 N GLU A 10 3.768 -3.304 -7.956 1.00 0.00 N ATOM 154 CA GLU A 10 4.129 -2.046 -8.669 1.00 0.00 C ATOM 155 C GLU A 10 3.006 -1.018 -8.509 1.00 0.00 C ATOM 156 O GLU A 10 3.224 0.087 -8.053 1.00 0.00 O ATOM 157 CB GLU A 10 4.339 -2.344 -10.154 1.00 0.00 C ATOM 158 CG GLU A 10 4.312 -1.035 -10.946 1.00 0.00 C ATOM 159 CD GLU A 10 4.978 -1.249 -12.306 1.00 0.00 C ATOM 160 OE1 GLU A 10 4.314 -1.754 -13.196 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.141 -0.904 -12.435 1.00 0.00 O ATOM 0 H GLU A 10 3.781 -4.147 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 10 5.048 -1.643 -8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.292 -2.852 -10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.560 -3.016 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.283 -0.700 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.832 -0.252 -10.394 1.00 0.00 H new ATOM 168 N ASP A 11 1.808 -1.372 -8.885 1.00 0.00 N ATOM 169 CA ASP A 11 0.676 -0.411 -8.760 1.00 0.00 C ATOM 170 C ASP A 11 0.616 0.136 -7.332 1.00 0.00 C ATOM 171 O ASP A 11 0.205 1.256 -7.105 1.00 0.00 O ATOM 172 CB ASP A 11 -0.637 -1.127 -9.085 1.00 0.00 C ATOM 173 CG ASP A 11 -1.766 -0.102 -9.199 1.00 0.00 C ATOM 174 OD1 ASP A 11 -1.597 0.996 -8.692 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.780 -0.430 -9.793 1.00 0.00 O ATOM 0 H ASP A 11 1.564 -2.283 -9.273 1.00 0.00 H new ATOM 0 HA ASP A 11 0.826 0.414 -9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.539 -1.681 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.869 -1.854 -8.306 1.00 0.00 H new ATOM 180 N LEU A 12 1.021 -0.644 -6.368 1.00 0.00 N ATOM 181 CA LEU A 12 0.981 -0.164 -4.957 1.00 0.00 C ATOM 182 C LEU A 12 2.142 0.802 -4.713 1.00 0.00 C ATOM 183 O LEU A 12 1.948 1.915 -4.266 1.00 0.00 O ATOM 184 CB LEU A 12 1.089 -1.366 -4.009 1.00 0.00 C ATOM 185 CG LEU A 12 1.806 -0.963 -2.715 1.00 0.00 C ATOM 186 CD1 LEU A 12 1.108 0.249 -2.089 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.766 -2.136 -1.732 1.00 0.00 C ATOM 0 H LEU A 12 1.377 -1.591 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 12 0.041 0.356 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.094 -1.746 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.633 -2.175 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 12 2.840 -0.704 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.622 0.530 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.132 1.084 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.072 -0.004 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.275 -1.855 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.729 -2.391 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.266 -2.998 -2.174 1.00 0.00 H new ATOM 199 N GLN A 13 3.347 0.393 -5.001 1.00 0.00 N ATOM 200 CA GLN A 13 4.505 1.302 -4.779 1.00 0.00 C ATOM 201 C GLN A 13 4.317 2.567 -5.620 1.00 0.00 C ATOM 202 O GLN A 13 4.900 3.598 -5.346 1.00 0.00 O ATOM 203 CB GLN A 13 5.807 0.591 -5.167 1.00 0.00 C ATOM 204 CG GLN A 13 6.169 0.897 -6.622 1.00 0.00 C ATOM 205 CD GLN A 13 7.397 0.076 -7.018 1.00 0.00 C ATOM 206 OE1 GLN A 13 8.306 -0.186 -6.119 1.00 0.00 O flip ATOM 207 NE2 GLN A 13 7.531 -0.331 -8.155 1.00 0.00 N flip ATOM 0 H GLN A 13 3.578 -0.526 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 13 4.562 1.576 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.614 0.913 -4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.695 -0.485 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.330 0.658 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.374 1.961 -6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.820 -0.126 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.354 -0.878 -8.407 1.00 0.00 H new ATOM 216 N GLU A 14 3.497 2.502 -6.635 1.00 0.00 N ATOM 217 CA GLU A 14 3.263 3.707 -7.479 1.00 0.00 C ATOM 218 C GLU A 14 2.445 4.715 -6.674 1.00 0.00 C ATOM 219 O GLU A 14 2.894 5.806 -6.386 1.00 0.00 O ATOM 220 CB GLU A 14 2.491 3.316 -8.740 1.00 0.00 C ATOM 221 CG GLU A 14 3.320 2.325 -9.561 1.00 0.00 C ATOM 222 CD GLU A 14 3.925 3.045 -10.767 1.00 0.00 C ATOM 223 OE1 GLU A 14 3.268 3.094 -11.794 1.00 0.00 O ATOM 224 OE2 GLU A 14 5.036 3.536 -10.643 1.00 0.00 O ATOM 0 H GLU A 14 2.981 1.668 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 14 4.218 4.145 -7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.534 2.869 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.272 4.203 -9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.111 1.897 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.693 1.498 -9.894 1.00 0.00 H new ATOM 231 N VAL A 15 1.247 4.354 -6.295 1.00 0.00 N ATOM 232 CA VAL A 15 0.414 5.289 -5.496 1.00 0.00 C ATOM 233 C VAL A 15 1.285 5.877 -4.385 1.00 0.00 C ATOM 234 O VAL A 15 1.137 7.019 -3.998 1.00 0.00 O ATOM 235 CB VAL A 15 -0.781 4.524 -4.904 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.829 3.119 -5.507 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.651 4.414 -3.381 1.00 0.00 C ATOM 0 H VAL A 15 0.814 3.455 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 15 0.030 6.096 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.696 5.067 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.675 2.573 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.941 3.191 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.095 2.591 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.506 3.869 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.267 3.882 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.621 5.413 -2.945 1.00 0.00 H new ATOM 247 N LEU A 16 2.209 5.101 -3.882 1.00 0.00 N ATOM 248 CA LEU A 16 3.108 5.607 -2.811 1.00 0.00 C ATOM 249 C LEU A 16 4.039 6.660 -3.416 1.00 0.00 C ATOM 250 O LEU A 16 4.441 7.600 -2.760 1.00 0.00 O ATOM 251 CB LEU A 16 3.934 4.446 -2.249 1.00 0.00 C ATOM 252 CG LEU A 16 5.025 4.989 -1.323 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.378 5.681 -0.123 1.00 0.00 C ATOM 254 CD2 LEU A 16 5.898 3.832 -0.833 1.00 0.00 C ATOM 0 H LEU A 16 2.378 4.137 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 16 2.523 6.049 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.288 3.759 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.384 3.879 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 16 5.640 5.705 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.155 6.068 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.754 6.504 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.763 4.965 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.676 4.217 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.282 3.116 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.359 3.337 -1.688 1.00 0.00 H new ATOM 266 N LYS A 17 4.379 6.507 -4.668 1.00 0.00 N ATOM 267 CA LYS A 17 5.278 7.495 -5.327 1.00 0.00 C ATOM 268 C LYS A 17 4.479 8.752 -5.673 1.00 0.00 C ATOM 269 O LYS A 17 4.822 9.847 -5.274 1.00 0.00 O ATOM 270 CB LYS A 17 5.852 6.884 -6.607 1.00 0.00 C ATOM 271 CG LYS A 17 7.362 7.125 -6.657 1.00 0.00 C ATOM 272 CD LYS A 17 8.074 6.109 -5.762 1.00 0.00 C ATOM 273 CE LYS A 17 9.582 6.181 -6.008 1.00 0.00 C ATOM 274 NZ LYS A 17 10.174 7.249 -5.154 1.00 0.00 N ATOM 0 H LYS A 17 4.071 5.738 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 17 6.094 7.756 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.643 5.815 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.373 7.327 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.721 7.036 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.590 8.138 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.855 6.315 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.708 5.104 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.045 5.221 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.780 6.389 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.199 7.298 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.740 8.164 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.996 7.031 -4.153 1.00 0.00 H new ATOM 288 N HIS A 18 3.410 8.603 -6.408 1.00 0.00 N ATOM 289 CA HIS A 18 2.585 9.791 -6.768 1.00 0.00 C ATOM 290 C HIS A 18 2.065 10.435 -5.484 1.00 0.00 C ATOM 291 O HIS A 18 1.365 11.427 -5.509 1.00 0.00 O ATOM 292 CB HIS A 18 1.401 9.346 -7.634 1.00 0.00 C ATOM 293 CG HIS A 18 1.542 9.912 -9.020 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.826 11.251 -9.249 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.432 9.333 -10.262 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.876 11.432 -10.583 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.644 10.296 -11.241 1.00 0.00 N ATOM 0 H HIS A 18 3.073 7.712 -6.774 1.00 0.00 H new ATOM 0 HA HIS A 18 3.188 10.508 -7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.360 8.258 -7.678 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.465 9.682 -7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.215 8.292 -10.448 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.079 12.379 -11.060 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.626 10.162 -12.252 1.00 0.00 H new ATOM 306 N VAL A 19 2.402 9.867 -4.359 1.00 0.00 N ATOM 307 CA VAL A 19 1.932 10.426 -3.062 1.00 0.00 C ATOM 308 C VAL A 19 3.101 11.106 -2.346 1.00 0.00 C ATOM 309 O VAL A 19 2.917 11.992 -1.534 1.00 0.00 O ATOM 310 CB VAL A 19 1.392 9.283 -2.198 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.543 9.634 -0.719 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.086 9.058 -2.518 1.00 0.00 C ATOM 0 H VAL A 19 2.986 9.034 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 19 1.145 11.160 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 19 1.956 8.375 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.157 8.817 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.596 9.792 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.983 10.544 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.472 8.244 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.647 9.969 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.195 8.800 -3.571 1.00 0.00 H new ATOM 322 N ASN A 20 4.304 10.694 -2.637 1.00 0.00 N ATOM 323 CA ASN A 20 5.489 11.306 -1.972 1.00 0.00 C ATOM 324 C ASN A 20 5.464 12.827 -2.150 1.00 0.00 C ATOM 325 O ASN A 20 5.547 13.573 -1.195 1.00 0.00 O ATOM 326 CB ASN A 20 6.767 10.741 -2.600 1.00 0.00 C ATOM 327 CG ASN A 20 7.875 10.687 -1.547 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.669 11.601 -1.434 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.965 9.645 -0.767 1.00 0.00 N ATOM 0 H ASN A 20 4.518 9.957 -3.309 1.00 0.00 H new ATOM 0 HA ASN A 20 5.464 11.072 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.579 9.743 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.078 11.364 -3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.701 9.597 -0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.299 8.878 -0.862 1.00 0.00 H new ATOM 336 N GLN A 21 5.361 13.294 -3.365 1.00 0.00 N ATOM 337 CA GLN A 21 5.345 14.767 -3.599 1.00 0.00 C ATOM 338 C GLN A 21 3.941 15.326 -3.353 1.00 0.00 C ATOM 339 O GLN A 21 3.776 16.486 -3.031 1.00 0.00 O ATOM 340 CB GLN A 21 5.759 15.056 -5.043 1.00 0.00 C ATOM 341 CG GLN A 21 7.264 14.827 -5.196 1.00 0.00 C ATOM 342 CD GLN A 21 8.022 16.030 -4.632 1.00 0.00 C ATOM 343 OE1 GLN A 21 8.496 15.993 -3.513 1.00 0.00 O ATOM 344 NE2 GLN A 21 8.159 17.101 -5.364 1.00 0.00 N ATOM 0 H GLN A 21 5.287 12.720 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 21 6.043 15.243 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.210 14.408 -5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.508 16.083 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.560 13.919 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.516 14.685 -6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.761 17.131 -6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.664 17.908 -4.998 1.00 0.00 H new ATOM 353 N HIS A 22 2.929 14.519 -3.505 1.00 0.00 N ATOM 354 CA HIS A 22 1.540 15.018 -3.284 1.00 0.00 C ATOM 355 C HIS A 22 1.163 14.868 -1.810 1.00 0.00 C ATOM 356 O HIS A 22 0.003 14.914 -1.451 1.00 0.00 O ATOM 357 CB HIS A 22 0.566 14.213 -4.147 1.00 0.00 C ATOM 358 CG HIS A 22 0.553 14.775 -5.541 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.169 16.082 -5.810 1.00 0.00 N ATOM 360 CD2 HIS A 22 0.878 14.223 -6.756 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.272 16.270 -7.139 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.698 15.169 -7.759 1.00 0.00 N ATOM 0 H HIS A 22 3.001 13.537 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 22 1.488 16.071 -3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.863 13.164 -4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.435 14.252 -3.718 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.221 13.210 -6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.039 17.197 -7.641 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.858 15.047 -8.759 1.00 0.00 H new ATOM 371 N TRP A 23 2.129 14.695 -0.950 1.00 0.00 N ATOM 372 CA TRP A 23 1.813 14.549 0.499 1.00 0.00 C ATOM 373 C TRP A 23 1.610 15.930 1.118 1.00 0.00 C ATOM 374 O TRP A 23 2.179 16.911 0.680 1.00 0.00 O ATOM 375 CB TRP A 23 2.964 13.847 1.216 1.00 0.00 C ATOM 376 CG TRP A 23 2.489 13.376 2.554 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.259 14.169 3.625 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.174 12.021 2.975 1.00 0.00 C ATOM 379 NE1 TRP A 23 1.824 13.380 4.677 1.00 0.00 N ATOM 380 CE2 TRP A 23 1.757 12.050 4.324 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.212 10.785 2.321 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.391 10.886 5.001 1.00 0.00 C ATOM 383 CZ3 TRP A 23 1.845 9.609 2.995 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.436 9.660 4.333 1.00 0.00 C ATOM 0 H TRP A 23 3.120 14.649 -1.187 1.00 0.00 H new ATOM 0 HA TRP A 23 0.904 13.957 0.605 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.318 13.003 0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.806 14.529 1.334 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.392 15.240 3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.583 13.740 5.600 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.526 10.735 1.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.076 10.933 6.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.878 8.661 2.479 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.156 8.753 4.848 1.00 0.00 H new ATOM 395 N GLN A 24 0.807 16.013 2.141 1.00 0.00 N ATOM 396 CA GLN A 24 0.574 17.333 2.797 1.00 0.00 C ATOM 397 C GLN A 24 0.226 17.115 4.270 1.00 0.00 C ATOM 398 O GLN A 24 0.477 16.066 4.827 1.00 0.00 O ATOM 399 CB GLN A 24 -0.575 18.062 2.095 1.00 0.00 C ATOM 400 CG GLN A 24 -0.073 19.402 1.551 1.00 0.00 C ATOM 401 CD GLN A 24 0.228 20.346 2.717 1.00 0.00 C ATOM 402 OE1 GLN A 24 1.326 20.354 3.239 1.00 0.00 O ATOM 403 NE2 GLN A 24 -0.705 21.150 3.151 1.00 0.00 N ATOM 0 H GLN A 24 0.302 15.227 2.552 1.00 0.00 H new ATOM 0 HA GLN A 24 1.477 17.939 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.965 17.450 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.396 18.225 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.824 19.250 0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.823 19.844 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.627 21.145 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.512 21.783 3.927 1.00 0.00 H new ATOM 412 N GLY A 25 -0.353 18.097 4.907 1.00 0.00 N ATOM 413 CA GLY A 25 -0.720 17.944 6.344 1.00 0.00 C ATOM 414 C GLY A 25 0.369 17.151 7.071 1.00 0.00 C ATOM 415 O GLY A 25 0.097 16.169 7.732 1.00 0.00 O ATOM 0 H GLY A 25 -0.588 18.999 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.839 18.924 6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.678 17.431 6.432 1.00 0.00 H new ATOM 419 N GLY A 26 1.599 17.571 6.956 1.00 0.00 N ATOM 420 CA GLY A 26 2.704 16.842 7.641 1.00 0.00 C ATOM 421 C GLY A 26 3.574 16.141 6.597 1.00 0.00 C ATOM 422 O GLY A 26 3.300 15.028 6.192 1.00 0.00 O ATOM 0 H GLY A 26 1.887 18.388 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.307 17.538 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.295 16.112 8.339 1.00 0.00 H new ATOM 426 N GLN A 27 4.621 16.782 6.155 1.00 0.00 N ATOM 427 CA GLN A 27 5.504 16.152 5.136 1.00 0.00 C ATOM 428 C GLN A 27 6.479 15.194 5.823 1.00 0.00 C ATOM 429 O GLN A 27 7.217 14.477 5.178 1.00 0.00 O ATOM 430 CB GLN A 27 6.289 17.236 4.397 1.00 0.00 C ATOM 431 CG GLN A 27 7.199 16.583 3.354 1.00 0.00 C ATOM 432 CD GLN A 27 7.426 17.554 2.194 1.00 0.00 C ATOM 433 OE1 GLN A 27 8.551 17.861 1.855 1.00 0.00 O ATOM 434 NE2 GLN A 27 6.396 18.052 1.566 1.00 0.00 N ATOM 0 H GLN A 27 4.902 17.715 6.456 1.00 0.00 H new ATOM 0 HA GLN A 27 4.893 15.598 4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.603 17.931 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.884 17.815 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.153 16.312 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.747 15.661 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.451 17.794 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.536 18.699 0.790 1.00 0.00 H new ATOM 443 N LYS A 28 6.485 15.172 7.127 1.00 0.00 N ATOM 444 CA LYS A 28 7.408 14.255 7.849 1.00 0.00 C ATOM 445 C LYS A 28 6.824 12.844 7.824 1.00 0.00 C ATOM 446 O LYS A 28 7.537 11.862 7.886 1.00 0.00 O ATOM 447 CB LYS A 28 7.560 14.719 9.299 1.00 0.00 C ATOM 448 CG LYS A 28 6.234 14.527 10.036 1.00 0.00 C ATOM 449 CD LYS A 28 6.260 15.312 11.348 1.00 0.00 C ATOM 450 CE LYS A 28 4.844 15.398 11.919 1.00 0.00 C ATOM 451 NZ LYS A 28 4.573 14.198 12.759 1.00 0.00 N ATOM 0 H LYS A 28 5.891 15.749 7.723 1.00 0.00 H new ATOM 0 HA LYS A 28 8.385 14.260 7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.349 14.152 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.856 15.768 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.407 14.867 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.067 13.469 10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.923 14.824 12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.656 16.313 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.735 16.304 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.117 15.460 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.610 14.256 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.660 13.340 12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.259 14.158 13.539 1.00 0.00 H new ATOM 465 N ASN A 29 5.527 12.739 7.727 1.00 0.00 N ATOM 466 CA ASN A 29 4.889 11.396 7.691 1.00 0.00 C ATOM 467 C ASN A 29 5.418 10.624 6.481 1.00 0.00 C ATOM 468 O ASN A 29 5.536 9.415 6.505 1.00 0.00 O ATOM 469 CB ASN A 29 3.373 11.558 7.573 1.00 0.00 C ATOM 470 CG ASN A 29 2.928 12.799 8.349 1.00 0.00 C ATOM 471 OD1 ASN A 29 1.737 13.290 8.143 1.00 0.00 O flip ATOM 472 ND2 ASN A 29 3.672 13.328 9.151 1.00 0.00 N flip ATOM 0 H ASN A 29 4.882 13.527 7.671 1.00 0.00 H new ATOM 0 HA ASN A 29 5.123 10.850 8.605 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.087 11.650 6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.871 10.673 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.603 12.945 9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.365 14.155 9.663 1.00 0.00 H new ATOM 479 N MET A 30 5.741 11.317 5.423 1.00 0.00 N ATOM 480 CA MET A 30 6.267 10.631 4.210 1.00 0.00 C ATOM 481 C MET A 30 7.402 9.688 4.611 1.00 0.00 C ATOM 482 O MET A 30 7.597 8.647 4.015 1.00 0.00 O ATOM 483 CB MET A 30 6.797 11.677 3.227 1.00 0.00 C ATOM 484 CG MET A 30 7.090 11.014 1.882 1.00 0.00 C ATOM 485 SD MET A 30 7.110 12.275 0.584 1.00 0.00 S ATOM 486 CE MET A 30 8.681 13.048 1.039 1.00 0.00 C ATOM 0 H MET A 30 5.663 12.331 5.347 1.00 0.00 H new ATOM 0 HA MET A 30 5.468 10.058 3.739 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.065 12.474 3.099 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.703 12.136 3.622 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.050 10.499 1.919 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.333 10.261 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.974 13.759 0.267 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.568 13.570 1.989 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.449 12.281 1.136 1.00 0.00 H new ATOM 496 N ASN A 31 8.155 10.044 5.616 1.00 0.00 N ATOM 497 CA ASN A 31 9.275 9.167 6.054 1.00 0.00 C ATOM 498 C ASN A 31 8.738 8.078 6.986 1.00 0.00 C ATOM 499 O ASN A 31 8.985 6.904 6.795 1.00 0.00 O ATOM 500 CB ASN A 31 10.317 10.004 6.801 1.00 0.00 C ATOM 501 CG ASN A 31 11.132 10.824 5.798 1.00 0.00 C ATOM 502 OD1 ASN A 31 10.526 11.696 5.040 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 12.334 10.670 5.706 1.00 0.00 N flip ATOM 0 H ASN A 31 8.042 10.904 6.152 1.00 0.00 H new ATOM 0 HA ASN A 31 9.735 8.705 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.824 10.667 7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.977 9.354 7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.808 9.988 6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.869 11.223 5.036 1.00 0.00 H new ATOM 510 N LYS A 32 8.004 8.462 7.997 1.00 0.00 N ATOM 511 CA LYS A 32 7.450 7.453 8.944 1.00 0.00 C ATOM 512 C LYS A 32 6.561 6.467 8.182 1.00 0.00 C ATOM 513 O LYS A 32 6.541 5.286 8.467 1.00 0.00 O ATOM 514 CB LYS A 32 6.622 8.164 10.018 1.00 0.00 C ATOM 515 CG LYS A 32 7.455 8.311 11.293 1.00 0.00 C ATOM 516 CD LYS A 32 7.725 6.929 11.893 1.00 0.00 C ATOM 517 CE LYS A 32 7.139 6.860 13.307 1.00 0.00 C ATOM 518 NZ LYS A 32 5.703 7.258 13.269 1.00 0.00 N ATOM 0 H LYS A 32 7.765 9.431 8.207 1.00 0.00 H new ATOM 0 HA LYS A 32 8.269 6.910 9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.309 9.145 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.715 7.597 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.397 8.811 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.927 8.935 12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.281 6.156 11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.798 6.738 11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.237 5.850 13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.693 7.520 13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.170 6.701 13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.617 8.269 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.319 7.082 12.319 1.00 0.00 H new ATOM 532 N VAL A 33 5.824 6.941 7.214 1.00 0.00 N ATOM 533 CA VAL A 33 4.939 6.028 6.437 1.00 0.00 C ATOM 534 C VAL A 33 5.762 5.313 5.366 1.00 0.00 C ATOM 535 O VAL A 33 5.512 4.171 5.034 1.00 0.00 O ATOM 536 CB VAL A 33 3.827 6.838 5.767 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.072 7.643 6.826 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.442 7.796 4.745 1.00 0.00 C ATOM 0 H VAL A 33 5.797 7.920 6.928 1.00 0.00 H new ATOM 0 HA VAL A 33 4.497 5.293 7.110 1.00 0.00 H new ATOM 0 HB VAL A 33 3.137 6.161 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.280 8.220 6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.635 6.963 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.762 8.321 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.651 8.374 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.132 8.473 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.982 7.225 3.990 1.00 0.00 H new ATOM 548 N ASP A 34 6.744 5.976 4.819 1.00 0.00 N ATOM 549 CA ASP A 34 7.583 5.335 3.768 1.00 0.00 C ATOM 550 C ASP A 34 8.153 4.020 4.302 1.00 0.00 C ATOM 551 O ASP A 34 8.187 3.020 3.612 1.00 0.00 O ATOM 552 CB ASP A 34 8.730 6.276 3.390 1.00 0.00 C ATOM 553 CG ASP A 34 9.896 5.462 2.828 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.807 5.046 1.685 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.859 5.268 3.552 1.00 0.00 O ATOM 0 H ASP A 34 7.001 6.934 5.055 1.00 0.00 H new ATOM 0 HA ASP A 34 6.974 5.133 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.390 7.002 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.055 6.840 4.265 1.00 0.00 H new ATOM 560 N HIS A 35 8.599 4.010 5.529 1.00 0.00 N ATOM 561 CA HIS A 35 9.163 2.759 6.110 1.00 0.00 C ATOM 562 C HIS A 35 8.039 1.736 6.287 1.00 0.00 C ATOM 563 O HIS A 35 8.230 0.549 6.116 1.00 0.00 O ATOM 564 CB HIS A 35 9.789 3.067 7.473 1.00 0.00 C ATOM 565 CG HIS A 35 11.222 3.485 7.289 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.937 3.196 6.135 1.00 0.00 N ATOM 567 CD2 HIS A 35 12.089 4.169 8.107 1.00 0.00 C ATOM 568 CE1 HIS A 35 13.176 3.700 6.289 1.00 0.00 C ATOM 569 NE2 HIS A 35 13.318 4.301 7.472 1.00 0.00 N ATOM 0 H HIS A 35 8.597 4.816 6.155 1.00 0.00 H new ATOM 0 HA HIS A 35 9.925 2.356 5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.230 3.860 7.970 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.736 2.188 8.115 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.852 4.546 9.091 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.958 3.627 5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.153 4.761 7.834 1.00 0.00 H new ATOM 578 N HIS A 36 6.866 2.192 6.632 1.00 0.00 N ATOM 579 CA HIS A 36 5.725 1.255 6.827 1.00 0.00 C ATOM 580 C HIS A 36 5.457 0.486 5.529 1.00 0.00 C ATOM 581 O HIS A 36 5.322 -0.722 5.528 1.00 0.00 O ATOM 582 CB HIS A 36 4.479 2.054 7.213 1.00 0.00 C ATOM 583 CG HIS A 36 4.431 2.211 8.708 1.00 0.00 C ATOM 584 ND1 HIS A 36 3.302 1.897 9.450 1.00 0.00 N ATOM 585 CD2 HIS A 36 5.366 2.649 9.615 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.584 2.147 10.744 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.827 2.606 10.895 1.00 0.00 N ATOM 0 H HIS A 36 6.649 3.176 6.788 1.00 0.00 H new ATOM 0 HA HIS A 36 5.969 0.546 7.619 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.498 3.033 6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.582 1.544 6.861 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.366 2.976 9.371 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.890 1.995 11.557 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.286 2.870 11.767 1.00 0.00 H new ATOM 596 N LEU A 37 5.377 1.177 4.424 1.00 0.00 N ATOM 597 CA LEU A 37 5.114 0.489 3.126 1.00 0.00 C ATOM 598 C LEU A 37 6.362 -0.277 2.683 1.00 0.00 C ATOM 599 O LEU A 37 6.328 -1.473 2.479 1.00 0.00 O ATOM 600 CB LEU A 37 4.761 1.533 2.064 1.00 0.00 C ATOM 601 CG LEU A 37 3.244 1.602 1.883 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.833 3.040 1.581 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.830 0.710 0.713 1.00 0.00 C ATOM 0 H LEU A 37 5.482 2.190 4.363 1.00 0.00 H new ATOM 0 HA LEU A 37 4.286 -0.209 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.145 2.509 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.237 1.277 1.118 1.00 0.00 H new ATOM 0 HG LEU A 37 2.756 1.263 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.752 3.090 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.130 3.685 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.323 3.374 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.749 0.759 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.321 1.053 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.125 -0.319 0.918 1.00 0.00 H new ATOM 615 N GLN A 38 7.463 0.408 2.526 1.00 0.00 N ATOM 616 CA GLN A 38 8.714 -0.277 2.088 1.00 0.00 C ATOM 617 C GLN A 38 8.758 -1.690 2.674 1.00 0.00 C ATOM 618 O GLN A 38 9.348 -2.588 2.110 1.00 0.00 O ATOM 619 CB GLN A 38 9.928 0.516 2.574 1.00 0.00 C ATOM 620 CG GLN A 38 10.315 1.557 1.521 1.00 0.00 C ATOM 621 CD GLN A 38 11.520 2.360 2.016 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.850 2.306 3.277 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 12.168 3.041 1.247 1.00 0.00 N flip ATOM 0 H GLN A 38 7.550 1.412 2.682 1.00 0.00 H new ATOM 0 HA GLN A 38 8.731 -0.336 1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.699 1.008 3.520 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.765 -0.157 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.555 1.065 0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.475 2.224 1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.910 3.083 0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.970 3.571 1.587 1.00 0.00 H new ATOM 632 N ASN A 39 8.133 -1.892 3.802 1.00 0.00 N ATOM 633 CA ASN A 39 8.134 -3.247 4.421 1.00 0.00 C ATOM 634 C ASN A 39 7.040 -4.099 3.772 1.00 0.00 C ATOM 635 O ASN A 39 7.231 -5.267 3.494 1.00 0.00 O ATOM 636 CB ASN A 39 7.860 -3.119 5.922 1.00 0.00 C ATOM 637 CG ASN A 39 8.792 -4.055 6.694 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.809 -3.633 7.206 1.00 0.00 O ATOM 639 ND2 ASN A 39 8.486 -5.319 6.798 1.00 0.00 N ATOM 0 H ASN A 39 7.622 -1.178 4.321 1.00 0.00 H new ATOM 0 HA ASN A 39 9.104 -3.721 4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.014 -2.089 6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.820 -3.367 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.101 -5.952 7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.632 -5.674 6.368 1.00 0.00 H new ATOM 646 N VAL A 40 5.897 -3.520 3.525 1.00 0.00 N ATOM 647 CA VAL A 40 4.791 -4.291 2.890 1.00 0.00 C ATOM 648 C VAL A 40 5.166 -4.616 1.444 1.00 0.00 C ATOM 649 O VAL A 40 5.346 -5.762 1.083 1.00 0.00 O ATOM 650 CB VAL A 40 3.512 -3.453 2.907 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.348 -4.286 2.364 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.203 -3.026 4.343 1.00 0.00 C ATOM 0 H VAL A 40 5.681 -2.546 3.736 1.00 0.00 H new ATOM 0 HA VAL A 40 4.627 -5.216 3.442 1.00 0.00 H new ATOM 0 HB VAL A 40 3.649 -2.569 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.436 -3.689 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.567 -4.594 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.211 -5.170 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.291 -2.428 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.066 -3.911 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.031 -2.434 4.733 1.00 0.00 H new ATOM 662 N ILE A 41 5.286 -3.617 0.612 1.00 0.00 N ATOM 663 CA ILE A 41 5.654 -3.871 -0.808 1.00 0.00 C ATOM 664 C ILE A 41 6.650 -5.028 -0.867 1.00 0.00 C ATOM 665 O ILE A 41 6.766 -5.712 -1.865 1.00 0.00 O ATOM 666 CB ILE A 41 6.289 -2.614 -1.402 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.430 -1.398 -1.044 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.372 -2.751 -2.924 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.633 -0.299 -2.086 1.00 0.00 C ATOM 0 H ILE A 41 5.145 -2.637 0.855 1.00 0.00 H new ATOM 0 HA ILE A 41 4.762 -4.127 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 41 7.293 -2.486 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.379 -1.683 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.700 -1.029 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.825 -1.854 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.980 -3.619 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.370 -2.878 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.020 0.565 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.683 -0.006 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.341 -0.671 -3.068 1.00 0.00 H new ATOM 681 N GLU A 42 7.366 -5.259 0.200 1.00 0.00 N ATOM 682 CA GLU A 42 8.346 -6.380 0.212 1.00 0.00 C ATOM 683 C GLU A 42 7.593 -7.697 0.388 1.00 0.00 C ATOM 684 O GLU A 42 7.925 -8.699 -0.214 1.00 0.00 O ATOM 685 CB GLU A 42 9.324 -6.194 1.374 1.00 0.00 C ATOM 686 CG GLU A 42 10.759 -6.342 0.864 1.00 0.00 C ATOM 687 CD GLU A 42 11.724 -6.352 2.051 1.00 0.00 C ATOM 688 OE1 GLU A 42 12.019 -5.283 2.559 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.151 -7.429 2.433 1.00 0.00 O ATOM 0 H GLU A 42 7.314 -4.719 1.064 1.00 0.00 H new ATOM 0 HA GLU A 42 8.900 -6.393 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.187 -5.211 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.126 -6.932 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.860 -7.264 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.003 -5.521 0.190 1.00 0.00 H new ATOM 696 N ASP A 43 6.569 -7.704 1.199 1.00 0.00 N ATOM 697 CA ASP A 43 5.793 -8.960 1.394 1.00 0.00 C ATOM 698 C ASP A 43 5.194 -9.368 0.051 1.00 0.00 C ATOM 699 O ASP A 43 5.311 -10.499 -0.383 1.00 0.00 O ATOM 700 CB ASP A 43 4.671 -8.718 2.405 1.00 0.00 C ATOM 701 CG ASP A 43 4.049 -10.055 2.807 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.380 -10.648 1.979 1.00 0.00 O ATOM 703 OD2 ASP A 43 4.253 -10.464 3.940 1.00 0.00 O ATOM 0 H ASP A 43 6.239 -6.899 1.731 1.00 0.00 H new ATOM 0 HA ASP A 43 6.443 -9.750 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.064 -8.208 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.911 -8.067 1.972 1.00 0.00 H new ATOM 708 N ILE A 44 4.565 -8.443 -0.615 1.00 0.00 N ATOM 709 CA ILE A 44 3.966 -8.745 -1.941 1.00 0.00 C ATOM 710 C ILE A 44 5.004 -9.453 -2.808 1.00 0.00 C ATOM 711 O ILE A 44 4.739 -10.480 -3.400 1.00 0.00 O ATOM 712 CB ILE A 44 3.554 -7.430 -2.598 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.699 -6.623 -1.621 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.756 -7.717 -3.871 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.221 -5.339 -2.300 1.00 0.00 C ATOM 0 H ILE A 44 4.440 -7.483 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 44 3.094 -9.389 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 44 4.445 -6.858 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.843 -7.215 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.277 -6.382 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.464 -6.776 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.371 -8.290 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.863 -8.290 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.611 -4.764 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.083 -4.745 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.627 -5.591 -3.178 1.00 0.00 H new ATOM 727 N HIS A 45 6.188 -8.915 -2.882 1.00 0.00 N ATOM 728 CA HIS A 45 7.246 -9.561 -3.703 1.00 0.00 C ATOM 729 C HIS A 45 7.377 -11.024 -3.280 1.00 0.00 C ATOM 730 O HIS A 45 7.652 -11.893 -4.084 1.00 0.00 O ATOM 731 CB HIS A 45 8.576 -8.842 -3.468 1.00 0.00 C ATOM 732 CG HIS A 45 9.397 -8.873 -4.727 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.950 -10.046 -5.223 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.770 -7.883 -5.602 1.00 0.00 C ATOM 735 CE1 HIS A 45 10.618 -9.736 -6.349 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.538 -8.432 -6.622 1.00 0.00 N ATOM 0 H HIS A 45 6.468 -8.056 -2.409 1.00 0.00 H new ATOM 0 HA HIS A 45 6.984 -9.504 -4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.395 -7.811 -3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.121 -9.321 -2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.507 -6.839 -5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.152 -10.452 -6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 45 10.954 -7.941 -7.414 1.00 0.00 H new ATOM 745 N ASP A 46 7.185 -11.300 -2.019 1.00 0.00 N ATOM 746 CA ASP A 46 7.301 -12.705 -1.533 1.00 0.00 C ATOM 747 C ASP A 46 6.005 -13.468 -1.824 1.00 0.00 C ATOM 748 O ASP A 46 5.919 -14.661 -1.607 1.00 0.00 O ATOM 749 CB ASP A 46 7.560 -12.700 -0.026 1.00 0.00 C ATOM 750 CG ASP A 46 9.044 -12.969 0.234 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.834 -12.065 0.021 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.363 -14.073 0.641 1.00 0.00 O ATOM 0 H ASP A 46 6.952 -10.612 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 46 8.128 -13.195 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.273 -11.739 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.950 -13.460 0.462 1.00 0.00 H new ATOM 757 N PHE A 47 4.998 -12.800 -2.320 1.00 0.00 N ATOM 758 CA PHE A 47 3.723 -13.506 -2.623 1.00 0.00 C ATOM 759 C PHE A 47 3.857 -14.210 -3.974 1.00 0.00 C ATOM 760 O PHE A 47 3.146 -15.149 -4.273 1.00 0.00 O ATOM 761 CB PHE A 47 2.577 -12.492 -2.676 1.00 0.00 C ATOM 762 CG PHE A 47 1.253 -13.217 -2.582 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.668 -13.769 -3.730 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.610 -13.342 -1.343 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.556 -14.444 -3.638 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.614 -14.016 -1.252 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.196 -14.568 -2.399 1.00 0.00 C ATOM 0 H PHE A 47 5.004 -11.801 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 47 3.510 -14.241 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.671 -11.778 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.626 -11.921 -3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.161 -13.674 -4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.059 -12.918 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.006 -14.869 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.109 -14.110 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.139 -15.090 -2.328 1.00 0.00 H new ATOM 777 N MET A 48 4.773 -13.762 -4.790 1.00 0.00 N ATOM 778 CA MET A 48 4.966 -14.401 -6.126 1.00 0.00 C ATOM 779 C MET A 48 5.751 -15.705 -5.964 1.00 0.00 C ATOM 780 O MET A 48 5.569 -16.647 -6.709 1.00 0.00 O ATOM 781 CB MET A 48 5.751 -13.454 -7.035 1.00 0.00 C ATOM 782 CG MET A 48 5.008 -12.123 -7.152 1.00 0.00 C ATOM 783 SD MET A 48 6.206 -10.778 -7.329 1.00 0.00 S ATOM 784 CE MET A 48 6.253 -10.754 -9.138 1.00 0.00 C ATOM 0 H MET A 48 5.397 -12.980 -4.590 1.00 0.00 H new ATOM 0 HA MET A 48 3.992 -14.613 -6.567 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.750 -13.290 -6.631 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.876 -13.901 -8.022 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.337 -12.143 -8.011 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.390 -11.960 -6.269 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.945 -9.981 -9.474 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.586 -11.724 -9.506 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.256 -10.542 -9.525 1.00 0.00 H new ATOM 794 N GLN A 49 6.628 -15.763 -5.001 1.00 0.00 N ATOM 795 CA GLN A 49 7.429 -17.002 -4.798 1.00 0.00 C ATOM 796 C GLN A 49 6.756 -17.883 -3.748 1.00 0.00 C ATOM 797 O GLN A 49 6.667 -19.086 -3.898 1.00 0.00 O ATOM 798 CB GLN A 49 8.832 -16.625 -4.326 1.00 0.00 C ATOM 799 CG GLN A 49 8.732 -15.741 -3.081 1.00 0.00 C ATOM 800 CD GLN A 49 8.832 -16.610 -1.827 1.00 0.00 C ATOM 801 OE1 GLN A 49 7.804 -16.699 -1.028 1.00 0.00 O flip ATOM 802 NE2 GLN A 49 9.853 -17.215 -1.571 1.00 0.00 N flip ATOM 0 H GLN A 49 6.825 -15.006 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 49 7.495 -17.550 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.405 -17.524 -4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.364 -16.097 -5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.529 -14.998 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.788 -15.196 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.657 -17.146 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.907 -17.792 -0.732 1.00 0.00 H new ATOM 811 N GLY A 50 6.280 -17.298 -2.685 1.00 0.00 N ATOM 812 CA GLY A 50 5.611 -18.109 -1.631 1.00 0.00 C ATOM 813 C GLY A 50 4.628 -19.078 -2.289 1.00 0.00 C ATOM 814 O GLY A 50 4.072 -19.948 -1.646 1.00 0.00 O ATOM 0 H GLY A 50 6.325 -16.296 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.353 -18.661 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.085 -17.457 -0.933 1.00 0.00 H new ATOM 818 N GLY A 51 4.411 -18.936 -3.568 1.00 0.00 N ATOM 819 CA GLY A 51 3.466 -19.851 -4.272 1.00 0.00 C ATOM 820 C GLY A 51 2.113 -19.856 -3.554 1.00 0.00 C ATOM 821 O GLY A 51 1.201 -20.562 -3.938 1.00 0.00 O ATOM 0 H GLY A 51 4.847 -18.226 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.338 -19.530 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.876 -20.860 -4.300 1.00 0.00 H new ATOM 825 N GLY A 52 1.975 -19.080 -2.515 1.00 0.00 N ATOM 826 CA GLY A 52 0.680 -19.045 -1.777 1.00 0.00 C ATOM 827 C GLY A 52 0.954 -18.884 -0.282 1.00 0.00 C ATOM 828 O GLY A 52 0.964 -19.841 0.465 1.00 0.00 O ATOM 0 H GLY A 52 2.702 -18.468 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.066 -18.220 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.120 -19.962 -1.959 1.00 0.00 H new ATOM 832 N SER A 53 1.177 -17.677 0.158 1.00 0.00 N ATOM 833 CA SER A 53 1.455 -17.450 1.603 1.00 0.00 C ATOM 834 C SER A 53 0.381 -16.534 2.191 1.00 0.00 C ATOM 835 O SER A 53 0.677 -15.573 2.874 1.00 0.00 O ATOM 836 CB SER A 53 2.828 -16.797 1.757 1.00 0.00 C ATOM 837 OG SER A 53 3.556 -16.952 0.547 1.00 0.00 O ATOM 0 H SER A 53 1.179 -16.838 -0.421 1.00 0.00 H new ATOM 0 HA SER A 53 1.445 -18.403 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.716 -15.739 1.996 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.371 -17.255 2.584 1.00 0.00 H new ATOM 0 HG SER A 53 3.917 -16.084 0.269 1.00 0.00 H new ATOM 843 N GLY A 54 -0.865 -16.824 1.937 1.00 0.00 N ATOM 844 CA GLY A 54 -1.953 -15.969 2.488 1.00 0.00 C ATOM 845 C GLY A 54 -1.654 -15.658 3.955 1.00 0.00 C ATOM 846 O GLY A 54 -2.289 -14.821 4.566 1.00 0.00 O ATOM 0 H GLY A 54 -1.176 -17.615 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.030 -15.044 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.912 -16.479 2.400 1.00 0.00 H new ATOM 850 N GLY A 55 -0.686 -16.324 4.525 1.00 0.00 N ATOM 851 CA GLY A 55 -0.342 -16.064 5.951 1.00 0.00 C ATOM 852 C GLY A 55 0.720 -14.967 6.018 1.00 0.00 C ATOM 853 O GLY A 55 0.731 -14.153 6.919 1.00 0.00 O ATOM 0 H GLY A 55 -0.119 -17.036 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.232 -15.760 6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.029 -16.975 6.420 1.00 0.00 H new ATOM 857 N LYS A 56 1.608 -14.934 5.062 1.00 0.00 N ATOM 858 CA LYS A 56 2.665 -13.884 5.065 1.00 0.00 C ATOM 859 C LYS A 56 2.028 -12.548 4.693 1.00 0.00 C ATOM 860 O LYS A 56 2.547 -11.491 4.995 1.00 0.00 O ATOM 861 CB LYS A 56 3.745 -14.238 4.040 1.00 0.00 C ATOM 862 CG LYS A 56 5.087 -13.654 4.485 1.00 0.00 C ATOM 863 CD LYS A 56 5.835 -14.686 5.333 1.00 0.00 C ATOM 864 CE LYS A 56 6.762 -13.966 6.313 1.00 0.00 C ATOM 865 NZ LYS A 56 5.986 -12.943 7.071 1.00 0.00 N ATOM 0 H LYS A 56 1.647 -15.588 4.280 1.00 0.00 H new ATOM 0 HA LYS A 56 3.120 -13.819 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.824 -15.320 3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.473 -13.845 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.684 -13.381 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.926 -12.742 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.125 -15.308 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.413 -15.350 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.208 -14.683 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.581 -13.490 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.461 -12.746 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.928 -12.068 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.027 -13.301 7.255 1.00 0.00 H new ATOM 879 N LEU A 57 0.899 -12.591 4.043 1.00 0.00 N ATOM 880 CA LEU A 57 0.213 -11.333 3.651 1.00 0.00 C ATOM 881 C LEU A 57 -0.608 -10.818 4.833 1.00 0.00 C ATOM 882 O LEU A 57 -0.430 -9.707 5.287 1.00 0.00 O ATOM 883 CB LEU A 57 -0.714 -11.611 2.467 1.00 0.00 C ATOM 884 CG LEU A 57 -1.015 -10.300 1.743 1.00 0.00 C ATOM 885 CD1 LEU A 57 -1.965 -10.569 0.576 1.00 0.00 C ATOM 886 CD2 LEU A 57 -1.671 -9.322 2.721 1.00 0.00 C ATOM 0 H LEU A 57 0.421 -13.449 3.766 1.00 0.00 H new ATOM 0 HA LEU A 57 0.951 -10.584 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.246 -12.319 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.640 -12.069 2.815 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.088 -9.870 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.180 -9.634 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.500 -11.269 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.894 -10.997 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.887 -8.385 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.599 -9.752 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.994 -9.132 3.554 1.00 0.00 H new ATOM 898 N GLN A 58 -1.502 -11.621 5.340 1.00 0.00 N ATOM 899 CA GLN A 58 -2.324 -11.172 6.497 1.00 0.00 C ATOM 900 C GLN A 58 -1.396 -10.606 7.573 1.00 0.00 C ATOM 901 O GLN A 58 -1.836 -10.059 8.565 1.00 0.00 O ATOM 902 CB GLN A 58 -3.108 -12.361 7.057 1.00 0.00 C ATOM 903 CG GLN A 58 -4.536 -12.332 6.503 1.00 0.00 C ATOM 904 CD GLN A 58 -4.497 -12.043 5.000 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.858 -10.867 4.564 1.00 0.00 O flip ATOM 906 NE2 GLN A 58 -4.136 -12.897 4.215 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.698 -12.564 5.005 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.027 -10.402 6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.618 -13.296 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.127 -12.318 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.028 -13.287 6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.120 -11.568 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.854 -13.816 4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.115 -12.695 3.215 1.00 0.00 H new ATOM 915 N GLU A 59 -0.111 -10.726 7.376 1.00 0.00 N ATOM 916 CA GLU A 59 0.853 -10.189 8.374 1.00 0.00 C ATOM 917 C GLU A 59 1.099 -8.708 8.081 1.00 0.00 C ATOM 918 O GLU A 59 0.990 -7.867 8.950 1.00 0.00 O ATOM 919 CB GLU A 59 2.173 -10.958 8.276 1.00 0.00 C ATOM 920 CG GLU A 59 2.142 -12.153 9.232 1.00 0.00 C ATOM 921 CD GLU A 59 2.286 -11.658 10.672 1.00 0.00 C ATOM 922 OE1 GLU A 59 3.305 -11.058 10.972 1.00 0.00 O ATOM 923 OE2 GLU A 59 1.375 -11.888 11.450 1.00 0.00 O ATOM 0 H GLU A 59 0.312 -11.175 6.564 1.00 0.00 H new ATOM 0 HA GLU A 59 0.446 -10.303 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.331 -11.301 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.007 -10.302 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.207 -12.701 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.949 -12.845 8.992 1.00 0.00 H new ATOM 930 N MET A 60 1.422 -8.379 6.856 1.00 0.00 N ATOM 931 CA MET A 60 1.664 -6.953 6.510 1.00 0.00 C ATOM 932 C MET A 60 0.320 -6.232 6.412 1.00 0.00 C ATOM 933 O MET A 60 0.239 -5.028 6.552 1.00 0.00 O ATOM 934 CB MET A 60 2.394 -6.864 5.167 1.00 0.00 C ATOM 935 CG MET A 60 1.548 -7.524 4.076 1.00 0.00 C ATOM 936 SD MET A 60 0.162 -6.444 3.644 1.00 0.00 S ATOM 937 CE MET A 60 0.138 -6.806 1.870 1.00 0.00 C ATOM 0 H MET A 60 1.528 -9.038 6.084 1.00 0.00 H new ATOM 0 HA MET A 60 2.278 -6.487 7.280 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.583 -5.821 4.913 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.364 -7.356 5.236 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.160 -7.717 3.195 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.176 -8.488 4.424 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.883 -6.725 1.496 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.774 -6.094 1.345 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.508 -7.817 1.700 1.00 0.00 H new ATOM 947 N MET A 61 -0.739 -6.959 6.178 1.00 0.00 N ATOM 948 CA MET A 61 -2.073 -6.307 6.081 1.00 0.00 C ATOM 949 C MET A 61 -2.206 -5.302 7.225 1.00 0.00 C ATOM 950 O MET A 61 -2.669 -4.194 7.040 1.00 0.00 O ATOM 951 CB MET A 61 -3.173 -7.367 6.182 1.00 0.00 C ATOM 952 CG MET A 61 -3.459 -7.672 7.652 1.00 0.00 C ATOM 953 SD MET A 61 -4.528 -9.128 7.769 1.00 0.00 S ATOM 954 CE MET A 61 -5.557 -8.555 9.144 1.00 0.00 C ATOM 0 H MET A 61 -0.737 -7.971 6.051 1.00 0.00 H new ATOM 0 HA MET A 61 -2.172 -5.793 5.125 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.079 -7.013 5.691 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.865 -8.276 5.665 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.525 -7.849 8.186 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.940 -6.816 8.125 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.299 -9.316 9.385 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.929 -8.371 10.016 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.063 -7.632 8.860 1.00 0.00 H new ATOM 964 N LYS A 62 -1.782 -5.674 8.403 1.00 0.00 N ATOM 965 CA LYS A 62 -1.862 -4.728 9.550 1.00 0.00 C ATOM 966 C LYS A 62 -1.024 -3.496 9.212 1.00 0.00 C ATOM 967 O LYS A 62 -1.419 -2.374 9.455 1.00 0.00 O ATOM 968 CB LYS A 62 -1.306 -5.396 10.811 1.00 0.00 C ATOM 969 CG LYS A 62 -1.962 -6.766 10.996 1.00 0.00 C ATOM 970 CD LYS A 62 -1.416 -7.435 12.258 1.00 0.00 C ATOM 971 CE LYS A 62 -2.070 -8.808 12.428 1.00 0.00 C ATOM 972 NZ LYS A 62 -3.211 -8.700 13.380 1.00 0.00 N ATOM 0 H LYS A 62 -1.385 -6.589 8.619 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.899 -4.443 9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.225 -5.507 10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.497 -4.769 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.044 -6.654 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.766 -7.394 10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.334 -7.542 12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.619 -6.813 13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.420 -9.178 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.340 -9.527 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.656 -9.633 13.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.864 -8.365 14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.911 -8.027 13.008 1.00 0.00 H new ATOM 986 N GLU A 63 0.129 -3.705 8.633 1.00 0.00 N ATOM 987 CA GLU A 63 0.995 -2.556 8.255 1.00 0.00 C ATOM 988 C GLU A 63 0.360 -1.836 7.067 1.00 0.00 C ATOM 989 O GLU A 63 0.375 -0.625 6.977 1.00 0.00 O ATOM 990 CB GLU A 63 2.382 -3.068 7.863 1.00 0.00 C ATOM 991 CG GLU A 63 3.450 -2.140 8.443 1.00 0.00 C ATOM 992 CD GLU A 63 4.834 -2.745 8.206 1.00 0.00 C ATOM 993 OE1 GLU A 63 4.896 -3.859 7.713 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.810 -2.083 8.521 1.00 0.00 O ATOM 0 H GLU A 63 0.507 -4.625 8.406 1.00 0.00 H new ATOM 0 HA GLU A 63 1.093 -1.870 9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.525 -4.082 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.472 -3.111 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.386 -1.157 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.282 -1.997 9.510 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.215 -2.576 6.159 1.00 0.00 N ATOM 1002 CA PHE A 64 -0.870 -1.936 4.988 1.00 0.00 C ATOM 1003 C PHE A 64 -1.968 -1.001 5.505 1.00 0.00 C ATOM 1004 O PHE A 64 -2.011 0.169 5.179 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.498 -3.016 4.106 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.369 -2.637 2.648 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.420 -1.292 2.258 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.198 -3.637 1.684 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.299 -0.951 0.905 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.078 -3.295 0.332 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.128 -1.953 -0.056 1.00 0.00 C ATOM 0 H PHE A 64 -0.259 -3.595 6.179 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.139 -1.376 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.008 -3.973 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.549 -3.142 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.553 -0.519 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.159 -4.674 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.338 0.085 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.947 -4.068 -0.411 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.034 -1.689 -1.099 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.857 -1.519 6.314 1.00 0.00 N ATOM 1022 CA GLN A 65 -3.962 -0.685 6.867 1.00 0.00 C ATOM 1023 C GLN A 65 -3.398 0.376 7.818 1.00 0.00 C ATOM 1024 O GLN A 65 -4.091 1.288 8.219 1.00 0.00 O ATOM 1025 CB GLN A 65 -4.923 -1.587 7.646 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.330 -0.975 7.665 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.302 -1.918 6.954 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -7.086 -3.205 6.995 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -8.267 -1.482 6.358 1.00 0.00 N flip ATOM 0 H GLN A 65 -2.863 -2.493 6.617 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.483 -0.191 6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.955 -2.576 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.563 -1.719 8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.653 -0.809 8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.323 -0.003 7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.435 -0.476 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.909 -2.122 5.889 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.149 0.269 8.184 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.566 1.281 9.111 1.00 0.00 C ATOM 1040 C GLN A 66 -1.233 2.535 8.312 1.00 0.00 C ATOM 1041 O GLN A 66 -1.205 3.632 8.832 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.296 0.726 9.759 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.679 -0.247 10.877 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.444 0.414 12.236 1.00 0.00 C ATOM 1045 OE1 GLN A 66 0.632 0.910 12.505 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.412 0.442 13.111 1.00 0.00 N ATOM 0 H GLN A 66 -1.512 -0.469 7.884 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.282 1.519 9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.314 0.217 9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.306 1.541 10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.725 -0.536 10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.087 -1.159 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.315 0.026 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.265 0.880 14.020 1.00 0.00 H new ATOM 1055 N VAL A 67 -0.998 2.376 7.043 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.687 3.546 6.188 1.00 0.00 C ATOM 1057 C VAL A 67 -2.001 4.115 5.665 1.00 0.00 C ATOM 1058 O VAL A 67 -2.231 5.308 5.680 1.00 0.00 O ATOM 1059 CB VAL A 67 0.167 3.087 5.011 1.00 0.00 C ATOM 1060 CG1 VAL A 67 1.161 4.184 4.631 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.933 1.831 5.409 1.00 0.00 C ATOM 0 H VAL A 67 -1.009 1.478 6.559 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.147 4.303 6.756 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.478 2.875 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.768 3.850 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.617 5.086 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.808 4.400 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.546 1.498 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.574 2.051 6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.228 1.045 5.678 1.00 0.00 H new ATOM 1071 N LEU A 68 -2.864 3.254 5.207 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.175 3.707 4.677 1.00 0.00 C ATOM 1073 C LEU A 68 -4.812 4.700 5.653 1.00 0.00 C ATOM 1074 O LEU A 68 -5.268 5.757 5.266 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.091 2.490 4.512 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.468 2.932 4.004 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.263 3.568 5.147 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.300 3.952 2.874 1.00 0.00 C ATOM 0 H LEU A 68 -2.714 2.246 5.178 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.033 4.197 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.646 1.783 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.196 1.972 5.465 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.005 2.060 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.241 3.880 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.391 2.841 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.724 4.436 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.281 4.263 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.757 4.821 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.742 3.499 2.055 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.850 4.366 6.914 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.463 5.287 7.910 1.00 0.00 C ATOM 1092 C ASP A 69 -4.544 6.489 8.142 1.00 0.00 C ATOM 1093 O ASP A 69 -4.990 7.560 8.499 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.671 4.546 9.232 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.805 5.210 10.016 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -6.567 6.261 10.588 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.892 4.657 10.029 1.00 0.00 O ATOM 0 H ASP A 69 -4.483 3.495 7.297 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.423 5.635 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.910 3.500 9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.752 4.561 9.818 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.264 6.324 7.945 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.333 7.466 8.161 1.00 0.00 C ATOM 1104 C GLU A 70 -2.545 8.510 7.067 1.00 0.00 C ATOM 1105 O GLU A 70 -2.729 9.679 7.341 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.888 6.971 8.119 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.590 6.160 9.381 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.014 7.084 10.456 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.172 8.286 10.322 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.573 6.575 11.396 1.00 0.00 O ATOM 0 H GLU A 70 -2.826 5.453 7.646 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.532 7.912 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.728 6.357 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.204 7.817 8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.501 5.685 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.117 5.362 9.155 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.523 8.103 5.827 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.728 9.087 4.731 1.00 0.00 C ATOM 1119 C ILE A 71 -4.159 9.621 4.801 1.00 0.00 C ATOM 1120 O ILE A 71 -4.393 10.809 4.713 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.493 8.425 3.370 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.877 7.032 3.555 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.539 9.292 2.546 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.176 6.609 2.261 1.00 0.00 C ATOM 0 H ILE A 71 -2.373 7.139 5.529 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.019 9.906 4.847 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.448 8.325 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.165 7.044 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.652 6.311 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.369 8.825 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.978 10.279 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.590 9.391 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.738 5.619 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.901 6.581 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.390 7.325 2.022 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.120 8.752 4.963 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.536 9.212 5.042 1.00 0.00 C ATOM 1138 C LYS A 72 -6.612 10.486 5.889 1.00 0.00 C ATOM 1139 O LYS A 72 -7.373 11.389 5.602 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.392 8.118 5.686 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.873 8.467 5.523 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.727 7.246 5.868 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.051 7.316 5.104 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.813 6.052 5.315 1.00 0.00 N ATOM 0 H LYS A 72 -4.986 7.744 5.044 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.908 9.420 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.181 7.155 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.144 8.022 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.134 9.302 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.072 8.785 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.194 6.331 5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.916 7.212 6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.637 8.168 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.862 7.467 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.713 6.099 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.254 5.247 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.004 5.927 6.330 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.827 10.567 6.929 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.852 11.783 7.792 1.00 0.00 C ATOM 1160 C GLN A 73 -5.254 12.963 7.024 1.00 0.00 C ATOM 1161 O GLN A 73 -5.729 14.078 7.109 1.00 0.00 O ATOM 1162 CB GLN A 73 -5.024 11.528 9.054 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.957 11.351 10.254 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.124 11.243 11.533 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -4.088 11.866 11.651 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -5.536 10.473 12.504 1.00 0.00 N ATOM 0 H GLN A 73 -5.169 9.843 7.219 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.881 12.011 8.070 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.410 10.637 8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.344 12.362 9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.643 12.196 10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.566 10.456 10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.406 9.950 12.406 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.988 10.395 13.361 1.00 0.00 H new ATOM 1175 N GLN A 74 -4.210 12.727 6.281 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.572 13.833 5.512 1.00 0.00 C ATOM 1177 C GLN A 74 -4.602 14.495 4.593 1.00 0.00 C ATOM 1178 O GLN A 74 -4.441 15.629 4.187 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.427 13.265 4.673 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.534 12.398 5.560 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.759 13.291 6.529 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.000 14.240 6.056 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 -0.847 13.126 7.730 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.769 11.814 6.172 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.186 14.580 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.824 12.674 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.846 14.076 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.140 11.681 6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.842 11.823 4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.441 12.384 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.327 13.730 8.367 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.654 13.801 4.255 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.681 14.402 3.356 1.00 0.00 C ATOM 1194 C LEU A 75 -7.367 15.578 4.056 1.00 0.00 C ATOM 1195 O LEU A 75 -8.445 15.989 3.679 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.731 13.347 2.995 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.194 12.453 1.877 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.922 13.297 0.630 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.896 11.790 2.337 1.00 0.00 C ATOM 0 H LEU A 75 -5.847 12.847 4.561 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.192 14.758 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.973 12.745 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.654 13.832 2.676 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.932 11.686 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.539 12.658 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.848 13.770 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.185 14.065 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.511 11.152 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.160 12.558 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.090 11.187 3.224 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.752 16.124 5.069 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.377 17.276 5.782 1.00 0.00 C ATOM 1213 C GLN A 76 -7.563 18.439 4.805 1.00 0.00 C ATOM 1214 O GLN A 76 -8.668 18.789 4.443 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.473 17.718 6.935 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.305 18.477 7.971 1.00 0.00 C ATOM 1217 CD GLN A 76 -6.432 19.537 8.647 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -5.645 20.197 7.998 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -6.538 19.728 9.934 1.00 0.00 N ATOM 0 H GLN A 76 -5.848 15.825 5.433 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.346 16.974 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.002 16.850 7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.671 18.354 6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.162 18.949 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.698 17.785 8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.199 19.174 10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.960 20.431 10.395 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.488 19.044 4.378 1.00 0.00 N ATOM 1229 CA GLY A 77 -6.602 20.185 3.426 1.00 0.00 C ATOM 1230 C GLY A 77 -5.227 20.487 2.828 1.00 0.00 C ATOM 1231 O GLY A 77 -4.282 20.779 3.535 1.00 0.00 O ATOM 0 H GLY A 77 -5.536 18.797 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.310 19.942 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.988 21.065 3.940 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.105 20.418 1.529 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.789 20.700 0.888 1.00 0.00 C ATOM 1237 C GLY A 78 -3.299 19.446 0.159 1.00 0.00 C ATOM 1238 O GLY A 78 -2.378 19.497 -0.633 1.00 0.00 O ATOM 0 H GLY A 78 -5.859 20.179 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.884 21.528 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.062 21.003 1.642 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.906 18.321 0.421 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.478 17.064 -0.256 1.00 0.00 C ATOM 1244 C ASP A 79 -4.617 16.549 -1.138 1.00 0.00 C ATOM 1245 O ASP A 79 -4.743 15.364 -1.373 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.136 16.004 0.797 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.338 16.588 2.196 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.332 17.267 2.395 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.497 16.345 3.046 1.00 0.00 O ATOM 0 H ASP A 79 -4.681 18.218 1.076 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.600 17.265 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.769 15.126 0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.104 15.675 0.675 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.449 17.426 -1.632 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.573 16.969 -2.495 1.00 0.00 C ATOM 1256 C ASN A 80 -6.016 16.070 -3.597 1.00 0.00 C ATOM 1257 O ASN A 80 -6.750 15.484 -4.366 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.267 18.181 -3.119 1.00 0.00 C ATOM 1259 CG ASN A 80 -6.274 18.936 -4.003 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -5.711 18.317 -5.004 1.00 0.00 O flip ATOM 1261 ND2 ASN A 80 -6.009 20.101 -3.781 1.00 0.00 N flip ATOM 0 H ASN A 80 -5.399 18.433 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.296 16.414 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.124 17.859 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.648 18.838 -2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.450 20.584 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.346 20.596 -4.378 1.00 0.00 H new ATOM 1268 N SER A 81 -4.720 15.939 -3.661 1.00 0.00 N ATOM 1269 CA SER A 81 -4.110 15.061 -4.690 1.00 0.00 C ATOM 1270 C SER A 81 -4.195 13.629 -4.182 1.00 0.00 C ATOM 1271 O SER A 81 -4.518 12.712 -4.911 1.00 0.00 O ATOM 1272 CB SER A 81 -2.645 15.450 -4.893 1.00 0.00 C ATOM 1273 OG SER A 81 -2.565 16.492 -5.857 1.00 0.00 O ATOM 0 H SER A 81 -4.057 16.405 -3.041 1.00 0.00 H new ATOM 0 HA SER A 81 -4.632 15.162 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.210 15.778 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.070 14.586 -5.226 1.00 0.00 H new ATOM 0 HG SER A 81 -1.669 16.890 -5.835 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.933 13.439 -2.919 1.00 0.00 N ATOM 1280 CA LEU A 82 -4.026 12.077 -2.342 1.00 0.00 C ATOM 1281 C LEU A 82 -5.449 11.575 -2.557 1.00 0.00 C ATOM 1282 O LEU A 82 -5.677 10.428 -2.890 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.725 12.138 -0.849 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.256 11.795 -0.616 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.381 12.586 -1.590 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.871 12.162 0.815 1.00 0.00 C ATOM 0 H LEU A 82 -3.659 14.171 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.310 11.408 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.944 13.134 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.364 11.439 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.106 10.727 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.333 12.339 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.653 12.330 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.532 13.654 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.822 11.918 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.025 13.230 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.491 11.601 1.514 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.409 12.440 -2.384 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.821 12.033 -2.593 1.00 0.00 C ATOM 1300 C HIS A 83 -7.897 11.217 -3.882 1.00 0.00 C ATOM 1301 O HIS A 83 -8.770 10.394 -4.064 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.701 13.277 -2.722 1.00 0.00 C ATOM 1303 CG HIS A 83 -10.023 13.033 -2.047 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.860 11.990 -2.414 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.666 13.690 -1.026 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.950 12.048 -1.627 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.880 13.065 -0.766 1.00 0.00 N ATOM 0 H HIS A 83 -6.274 13.412 -2.106 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.171 11.439 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.203 14.135 -2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.857 13.517 -3.774 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -10.682 11.304 -3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.287 14.557 -0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.778 11.357 -1.685 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.972 11.442 -4.777 1.00 0.00 N ATOM 1317 CA ASN A 84 -6.970 10.683 -6.056 1.00 0.00 C ATOM 1318 C ASN A 84 -6.025 9.487 -5.932 1.00 0.00 C ATOM 1319 O ASN A 84 -6.261 8.438 -6.498 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.499 11.593 -7.192 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.379 12.843 -7.246 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -7.170 13.779 -6.501 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -8.361 12.899 -8.104 1.00 0.00 N ATOM 0 H ASN A 84 -6.217 12.121 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.978 10.331 -6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.458 11.875 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.547 11.061 -8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.953 13.729 -8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.537 12.113 -8.730 1.00 0.00 H new ATOM 1330 N VAL A 85 -4.956 9.633 -5.196 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.006 8.503 -5.038 1.00 0.00 C ATOM 1332 C VAL A 85 -4.370 7.714 -3.780 1.00 0.00 C ATOM 1333 O VAL A 85 -4.447 6.501 -3.797 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.588 9.057 -4.903 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.593 8.073 -5.515 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.492 10.396 -5.637 1.00 0.00 C ATOM 0 H VAL A 85 -4.703 10.487 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.060 7.847 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.355 9.200 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.582 8.470 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.659 7.118 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.826 7.929 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.481 10.792 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.726 10.250 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.200 11.101 -5.202 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.606 8.394 -2.691 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.976 7.680 -1.438 1.00 0.00 C ATOM 1348 C HIS A 86 -6.158 6.759 -1.732 1.00 0.00 C ATOM 1349 O HIS A 86 -6.318 5.721 -1.121 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.370 8.697 -0.363 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.236 8.029 0.670 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.614 8.197 0.701 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -5.938 7.191 1.718 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.088 7.478 1.737 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.108 6.849 2.386 1.00 0.00 N ATOM 0 H HIS A 86 -4.559 9.410 -2.616 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.129 7.095 -1.079 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.477 9.109 0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.905 9.532 -0.816 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.167 8.762 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.948 6.851 1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.132 7.419 2.008 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.982 7.129 -2.673 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.149 6.275 -3.020 1.00 0.00 C ATOM 1366 C GLU A 87 -7.647 4.944 -3.577 1.00 0.00 C ATOM 1367 O GLU A 87 -8.375 3.975 -3.651 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.001 6.981 -4.076 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.481 6.826 -3.724 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.339 7.440 -4.832 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.832 7.592 -5.931 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.488 7.748 -4.562 1.00 0.00 O ATOM 0 H GLU A 87 -6.896 7.988 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.752 6.097 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.737 8.037 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.804 6.557 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.728 5.771 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.692 7.315 -2.773 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.404 4.893 -3.972 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.848 3.628 -4.527 1.00 0.00 C ATOM 1381 C ASN A 88 -5.664 2.612 -3.399 1.00 0.00 C ATOM 1382 O ASN A 88 -6.344 1.609 -3.343 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.499 3.911 -5.190 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.724 4.727 -6.465 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.770 5.316 -6.645 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.780 4.784 -7.365 1.00 0.00 N ATOM 0 H ASN A 88 -5.749 5.674 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.537 3.223 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.851 4.457 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.994 2.975 -5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.922 5.323 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.901 4.289 -7.214 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.748 2.863 -2.499 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.523 1.907 -1.374 1.00 0.00 C ATOM 1395 C ILE A 89 -5.854 1.257 -0.988 1.00 0.00 C ATOM 1396 O ILE A 89 -5.978 0.051 -0.957 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.940 2.665 -0.171 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.470 3.005 -0.456 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.031 1.799 1.096 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.690 3.100 0.859 1.00 0.00 C ATOM 0 H ILE A 89 -4.147 3.687 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.822 1.131 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.509 3.581 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.029 2.241 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.405 3.949 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.615 2.347 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.075 1.558 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.468 0.877 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.648 3.341 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.124 3.881 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.742 2.145 1.383 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.852 2.045 -0.700 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.170 1.465 -0.316 1.00 0.00 C ATOM 1414 C LYS A 90 -8.499 0.283 -1.231 1.00 0.00 C ATOM 1415 O LYS A 90 -8.892 -0.773 -0.776 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.258 2.532 -0.453 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.549 2.033 0.199 1.00 0.00 C ATOM 1418 CD LYS A 90 -10.906 2.937 1.382 1.00 0.00 C ATOM 1419 CE LYS A 90 -11.168 4.358 0.878 1.00 0.00 C ATOM 1420 NZ LYS A 90 -10.121 5.277 1.409 1.00 0.00 N ATOM 0 H LYS A 90 -6.813 3.064 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.124 1.121 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.934 3.459 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.433 2.755 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.360 2.032 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.424 1.005 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.788 2.553 1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.093 2.941 2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.163 4.375 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.155 4.692 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.571 6.030 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.464 4.743 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.597 5.700 0.617 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.342 0.448 -2.516 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.646 -0.671 -3.451 1.00 0.00 C ATOM 1436 C GLU A 91 -7.374 -1.486 -3.693 1.00 0.00 C ATOM 1437 O GLU A 91 -7.397 -2.701 -3.717 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.150 -0.104 -4.778 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.680 -0.112 -4.788 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.190 0.772 -5.927 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.342 1.962 -5.705 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -11.423 0.244 -7.001 1.00 0.00 O ATOM 0 H GLU A 91 -8.017 1.308 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.414 -1.312 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.780 0.912 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.767 -0.698 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.048 -1.131 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.062 0.251 -3.834 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.265 -0.823 -3.866 1.00 0.00 N ATOM 1450 CA ILE A 92 -4.985 -1.547 -4.101 1.00 0.00 C ATOM 1451 C ILE A 92 -4.714 -2.485 -2.923 1.00 0.00 C ATOM 1452 O ILE A 92 -4.425 -3.653 -3.094 1.00 0.00 O ATOM 1453 CB ILE A 92 -3.844 -0.524 -4.213 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.543 -0.248 -5.688 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.582 -1.064 -3.526 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.778 -1.429 -6.285 1.00 0.00 C ATOM 0 H ILE A 92 -6.190 0.194 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.050 -2.127 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.149 0.401 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.472 -0.089 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.956 0.665 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.780 -0.331 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.793 -1.251 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.276 -1.994 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.565 -1.231 -7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.842 -1.567 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.381 -2.333 -6.202 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.781 -1.967 -1.730 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.508 -2.800 -0.528 1.00 0.00 C ATOM 1470 C PHE A 93 -5.538 -3.926 -0.420 1.00 0.00 C ATOM 1471 O PHE A 93 -5.207 -5.050 -0.098 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.578 -1.905 0.712 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.609 -2.735 1.972 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -3.993 -3.993 2.022 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.259 -2.231 3.103 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.032 -4.741 3.201 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.297 -2.979 4.280 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.684 -4.236 4.333 1.00 0.00 C ATOM 0 H PHE A 93 -5.015 -0.994 -1.535 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.518 -3.248 -0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.717 -1.237 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.468 -1.277 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.489 -4.383 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.732 -1.261 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.558 -5.711 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.800 -2.587 5.152 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.714 -4.815 5.244 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.785 -3.643 -0.684 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.819 -4.712 -0.590 1.00 0.00 C ATOM 1490 C HIS A 94 -7.838 -5.517 -1.889 1.00 0.00 C ATOM 1491 O HIS A 94 -8.616 -6.436 -2.050 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.192 -4.080 -0.364 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.024 -4.987 0.500 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -10.810 -4.505 1.539 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.204 -6.349 0.493 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.422 -5.562 2.108 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.086 -6.705 1.507 1.00 0.00 N ATOM 0 H HIS A 94 -7.131 -2.724 -0.959 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.582 -5.371 0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.082 -3.106 0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.689 -3.913 -1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.733 -7.037 -0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.100 -5.493 2.946 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.409 -7.644 1.742 1.00 0.00 H new ATOM 1506 N HIS A 95 -6.985 -5.182 -2.815 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.952 -5.934 -4.101 1.00 0.00 C ATOM 1508 C HIS A 95 -6.027 -7.139 -3.946 1.00 0.00 C ATOM 1509 O HIS A 95 -6.208 -8.160 -4.580 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.428 -5.024 -5.214 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.583 -4.325 -5.879 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -8.830 -4.920 -6.015 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.695 -3.081 -6.449 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -9.632 -4.038 -6.643 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.988 -2.906 -6.928 1.00 0.00 N ATOM 0 H HIS A 95 -6.310 -4.421 -2.738 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.956 -6.270 -4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.734 -4.291 -4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.874 -5.611 -5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.901 -2.351 -6.515 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.668 -4.225 -6.885 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.365 -2.084 -7.399 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.040 -7.029 -3.101 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.109 -8.169 -2.897 1.00 0.00 C ATOM 1526 C LEU A 96 -4.811 -9.244 -2.073 1.00 0.00 C ATOM 1527 O LEU A 96 -4.904 -10.385 -2.479 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.863 -7.686 -2.160 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.629 -8.315 -2.800 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.387 -7.903 -2.016 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.768 -9.839 -2.781 1.00 0.00 C ATOM 0 H LEU A 96 -4.839 -6.198 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.815 -8.582 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.797 -6.599 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.920 -7.958 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.536 -7.973 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.496 -8.351 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.291 -6.817 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.477 -8.246 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.887 -10.290 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.859 -10.183 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.657 -10.130 -3.341 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.323 -8.893 -0.923 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.033 -9.908 -0.101 1.00 0.00 C ATOM 1545 C GLU A 97 -7.049 -10.620 -0.991 1.00 0.00 C ATOM 1546 O GLU A 97 -7.677 -11.580 -0.594 1.00 0.00 O ATOM 1547 CB GLU A 97 -6.757 -9.221 1.058 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.739 -10.203 1.699 1.00 0.00 C ATOM 1549 CD GLU A 97 -7.949 -9.829 3.167 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -7.037 -10.041 3.949 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.018 -9.334 3.485 1.00 0.00 O ATOM 0 H GLU A 97 -5.280 -7.956 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.321 -10.625 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.035 -8.876 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.289 -8.341 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.690 -10.182 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.354 -11.220 1.623 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.209 -10.151 -2.200 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.174 -10.790 -3.132 1.00 0.00 C ATOM 1560 C GLU A 98 -7.462 -11.897 -3.907 1.00 0.00 C ATOM 1561 O GLU A 98 -8.017 -12.950 -4.151 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.709 -9.742 -4.111 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.078 -10.182 -4.636 1.00 0.00 C ATOM 1564 CD GLU A 98 -11.082 -10.208 -3.482 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.994 -9.342 -2.627 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.923 -11.092 -3.473 1.00 0.00 O ATOM 0 H GLU A 98 -6.708 -9.348 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.005 -11.213 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.792 -8.775 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.013 -9.616 -4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.419 -9.498 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.005 -11.170 -5.091 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.233 -11.675 -4.292 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.498 -12.728 -5.041 1.00 0.00 C ATOM 1575 C LEU A 99 -5.188 -13.884 -4.091 1.00 0.00 C ATOM 1576 O LEU A 99 -4.622 -14.888 -4.474 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.195 -12.150 -5.595 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.475 -11.456 -6.929 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.707 -10.135 -6.987 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -4.022 -12.361 -8.076 1.00 0.00 C ATOM 0 H LEU A 99 -5.712 -10.815 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.107 -13.086 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.768 -11.441 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.461 -12.944 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.543 -11.259 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.906 -9.640 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.028 -9.491 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.639 -10.331 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.220 -11.869 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.954 -12.557 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.569 -13.303 -8.034 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.561 -13.743 -2.849 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.296 -14.822 -1.859 1.00 0.00 C ATOM 1594 C VAL A 100 -6.626 -15.367 -1.332 1.00 0.00 C ATOM 1595 O VAL A 100 -6.711 -16.490 -0.878 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.468 -14.248 -0.707 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.784 -12.966 -1.172 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.377 -13.925 0.476 1.00 0.00 C ATOM 0 H VAL A 100 -6.040 -12.923 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.744 -15.635 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.722 -14.982 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.192 -12.552 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.132 -13.187 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.539 -12.241 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.781 -13.517 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.124 -13.193 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.876 -14.835 0.811 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.662 -14.577 -1.379 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.977 -15.050 -0.870 1.00 0.00 C ATOM 1610 C HIS A 101 -9.552 -16.104 -1.819 1.00 0.00 C ATOM 1611 O HIS A 101 -10.740 -16.363 -1.826 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.947 -13.872 -0.770 1.00 0.00 C ATOM 1613 CG HIS A 101 -10.699 -13.952 0.530 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.010 -14.404 0.601 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -10.339 -13.643 1.819 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.387 -14.356 1.892 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -11.405 -13.901 2.673 1.00 0.00 N ATOM 0 H HIS A 101 -7.654 -13.626 -1.747 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.838 -15.490 0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.400 -12.931 -0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.644 -13.889 -1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.376 -13.259 2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.362 -14.649 2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.431 -13.770 3.684 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.724 -16.716 -2.620 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.231 -17.753 -3.563 1.00 0.00 C ATOM 1628 C ARG A 102 -8.346 -18.999 -3.474 1.00 0.00 C ATOM 1629 O ARG A 102 -8.869 -20.086 -3.653 1.00 0.00 O ATOM 1630 CB ARG A 102 -9.198 -17.204 -4.991 1.00 0.00 C ATOM 1631 CG ARG A 102 -9.796 -15.795 -5.009 1.00 0.00 C ATOM 1632 CD ARG A 102 -10.720 -15.647 -6.220 1.00 0.00 C ATOM 1633 NE ARG A 102 -10.085 -16.283 -7.409 1.00 0.00 N ATOM 1634 CZ ARG A 102 -10.780 -16.472 -8.497 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -12.032 -16.108 -8.541 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -10.224 -17.027 -9.539 1.00 0.00 N ATOM 1637 OXT ARG A 102 -7.162 -18.844 -3.226 1.00 0.00 O ATOM 0 H ARG A 102 -7.720 -16.543 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.255 -18.015 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.172 -17.180 -5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.761 -17.858 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.352 -15.613 -4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.000 -15.051 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.683 -16.114 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.913 -14.592 -6.417 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.107 -16.571 -7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.467 -15.676 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.576 -16.255 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.246 -17.313 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.768 -17.175 -10.389 1.00 0.00 H new