USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1112 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 74 SER OG : rot -129:sc= 0.0235 USER MOD Set 1.2: A 148 SER OG : rot 180:sc= 0.0392 USER MOD Set 2.1: A 125 GLN : amide:sc= -1.01 K(o=-1,f=-5.9!) USER MOD Set 2.2: A 128 GLN :FLIP amide:sc= 0 F(o=-2,f=-1) USER MOD Set 3.1: A 82 TYR OH : rot 106:sc= 0.788 USER MOD Set 3.2: A 88 CYS SG : rot 180:sc= 0.677 USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 10 MET CE :methyl 141:sc= -0.163 (180deg=-0.756) USER MOD Single : A 14 LYS NZ :NH3+ -131:sc= 0.651 (180deg=-1.31!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00399 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 34 MET CE :methyl 140:sc= -0.219 (180deg=-0.775) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 46 THR OG1 : rot -66:sc= 0.432 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.0218 (180deg=-0.172) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.45 F(o=-2.4,f=-0.45) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0184 (180deg=-0.224) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 153:sc= -0.253 (180deg=-1.72) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.8) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00371 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.248 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -18:sc= 0.531 USER MOD Single : A 108 SER OG : rot 170:sc= -0.877 USER MOD Single : A 110 GLN : amide:sc= -0.461 K(o=-0.46,f=-2.1) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.571 K(o=-0.57,f=-11!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 167:sc= -0.0226 (180deg=-0.243) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.682 3.452 7.233 1.00 0.00 N ATOM 32 CA THR A 3 -24.237 4.584 6.436 0.96 0.00 C ATOM 33 C THR A 3 -24.144 4.188 4.961 0.26 0.00 C ATOM 34 O THR A 3 -24.163 3.000 4.635 0.63 0.00 O ATOM 35 CB THR A 3 -22.871 5.109 6.952 0.80 0.00 C ATOM 36 OG1 THR A 3 -22.848 6.541 6.931 0.40 0.00 O ATOM 37 CG2 THR A 3 -21.713 4.572 6.123 0.67 0.00 C ATOM 0 HA THR A 3 -24.967 5.388 6.532 0.96 0.00 H new ATOM 0 HB THR A 3 -22.752 4.755 7.976 0.80 0.00 H new ATOM 0 HG1 THR A 3 -21.982 6.859 7.260 0.40 0.00 H new ATOM 0 HG21 THR A 3 -20.774 4.962 6.515 0.67 0.00 H new ATOM 0 HG22 THR A 3 -21.703 3.483 6.174 0.67 0.00 H new ATOM 0 HG23 THR A 3 -21.832 4.886 5.086 0.67 0.00 H new ATOM 45 N PRO A 4 -24.045 5.169 4.049 0.26 0.00 N ATOM 46 CA PRO A 4 -23.961 4.900 2.621 1.00 0.00 C ATOM 47 C PRO A 4 -22.556 4.497 2.205 0.10 0.00 C ATOM 48 O PRO A 4 -22.376 3.651 1.328 0.72 0.00 O ATOM 49 CB PRO A 4 -24.359 6.225 1.964 1.00 0.00 C ATOM 50 CG PRO A 4 -24.400 7.256 3.052 1.00 0.00 C ATOM 51 CD PRO A 4 -23.978 6.602 4.337 0.18 0.00 C ATOM 0 HA PRO A 4 -24.603 4.070 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -23.641 6.505 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -25.331 6.138 1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -23.736 8.087 2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -25.405 7.668 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.971 6.904 4.625 0.18 0.00 H new ATOM 0 HD3 PRO A 4 -24.640 6.875 5.159 0.18 0.00 H new ATOM 59 N ALA A 5 -21.561 5.107 2.841 0.97 0.00 N ATOM 60 CA ALA A 5 -20.171 4.801 2.544 0.11 0.00 C ATOM 61 C ALA A 5 -19.896 3.316 2.753 0.11 0.00 C ATOM 62 O ALA A 5 -19.091 2.713 2.041 0.18 0.00 O ATOM 63 CB ALA A 5 -19.245 5.645 3.407 1.00 0.00 C ATOM 0 H ALA A 5 -21.694 5.815 3.564 0.97 0.00 H new ATOM 0 HA ALA A 5 -19.979 5.041 1.498 0.11 0.00 H new ATOM 0 HB1 ALA A 5 -18.208 5.404 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.425 6.702 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.437 5.435 4.459 1.00 0.00 H new ATOM 69 N ARG A 6 -20.575 2.734 3.740 0.14 0.00 N ATOM 70 CA ARG A 6 -20.421 1.318 4.057 1.00 0.00 C ATOM 71 C ARG A 6 -20.945 0.453 2.916 0.71 0.00 C ATOM 72 O ARG A 6 -20.299 -0.512 2.507 0.07 0.00 O ATOM 73 CB ARG A 6 -21.164 0.982 5.354 0.74 0.00 C ATOM 74 CG ARG A 6 -21.055 -0.479 5.761 0.06 0.00 C ATOM 75 CD ARG A 6 -21.905 -0.778 6.984 0.07 0.00 C ATOM 76 NE ARG A 6 -23.314 -0.467 6.761 0.78 0.00 N ATOM 77 CZ ARG A 6 -24.289 -0.807 7.599 1.00 0.00 C ATOM 78 NH1 ARG A 6 -24.007 -1.461 8.719 0.07 0.00 N ATOM 79 NH2 ARG A 6 -25.547 -0.493 7.319 0.69 0.00 N ATOM 0 H ARG A 6 -21.241 3.226 4.336 0.14 0.00 H new ATOM 0 HA ARG A 6 -19.360 1.109 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.772 1.604 6.158 0.74 0.00 H new ATOM 0 HB3 ARG A 6 -22.217 1.239 5.236 0.74 0.00 H new ATOM 0 HG2 ARG A 6 -21.370 -1.114 4.933 0.06 0.00 H new ATOM 0 HG3 ARG A 6 -20.014 -0.723 5.971 0.06 0.00 H new ATOM 0 HD2 ARG A 6 -21.804 -1.831 7.247 0.07 0.00 H new ATOM 0 HD3 ARG A 6 -21.536 -0.201 7.832 0.07 0.00 H new ATOM 0 HE ARG A 6 -23.565 0.041 5.913 0.78 0.00 H new ATOM 0 HH11 ARG A 6 -23.041 -1.704 8.938 0.07 0.00 H new ATOM 0 HH12 ARG A 6 -24.756 -1.721 9.360 0.07 0.00 H new ATOM 0 HH21 ARG A 6 -25.768 0.010 6.460 0.69 0.00 H new ATOM 0 HH22 ARG A 6 -26.293 -0.755 7.963 0.69 0.00 H new ATOM 93 N ARG A 7 -22.124 0.806 2.410 0.06 0.00 N ATOM 94 CA ARG A 7 -22.738 0.069 1.313 1.00 0.00 C ATOM 95 C ARG A 7 -21.833 0.065 0.084 0.13 0.00 C ATOM 96 O ARG A 7 -21.811 -0.898 -0.680 0.21 0.00 O ATOM 97 CB ARG A 7 -24.091 0.688 0.960 0.17 0.00 C ATOM 98 CG ARG A 7 -25.045 0.799 2.141 0.05 0.00 C ATOM 99 CD ARG A 7 -25.472 -0.569 2.654 0.28 0.00 C ATOM 100 NE ARG A 7 -24.431 -1.205 3.457 0.56 0.00 N ATOM 101 CZ ARG A 7 -24.572 -2.390 4.043 1.00 0.00 C ATOM 102 NH1 ARG A 7 -25.700 -3.074 3.905 0.07 0.00 N ATOM 103 NH2 ARG A 7 -23.581 -2.893 4.768 0.63 0.00 N ATOM 0 H ARG A 7 -22.672 1.599 2.744 0.06 0.00 H new ATOM 0 HA ARG A 7 -22.885 -0.962 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -23.927 1.682 0.543 0.17 0.00 H new ATOM 0 HB3 ARG A 7 -24.561 0.089 0.180 0.17 0.00 H new ATOM 0 HG2 ARG A 7 -24.564 1.355 2.946 0.05 0.00 H new ATOM 0 HG3 ARG A 7 -25.927 1.367 1.844 0.05 0.00 H new ATOM 0 HD2 ARG A 7 -26.377 -0.465 3.252 0.28 0.00 H new ATOM 0 HD3 ARG A 7 -25.720 -1.211 1.809 0.28 0.00 H new ATOM 0 HE ARG A 7 -23.546 -0.712 3.575 0.56 0.00 H new ATOM 0 HH11 ARG A 7 -26.464 -2.691 3.347 0.07 0.00 H new ATOM 0 HH12 ARG A 7 -25.804 -3.983 4.356 0.07 0.00 H new ATOM 0 HH21 ARG A 7 -22.712 -2.371 4.876 0.63 0.00 H new ATOM 0 HH22 ARG A 7 -23.689 -3.802 5.218 0.63 0.00 H new ATOM 117 N ARG A 8 -21.086 1.151 -0.096 0.68 0.00 N ATOM 118 CA ARG A 8 -20.178 1.279 -1.232 0.46 0.00 C ATOM 119 C ARG A 8 -19.067 0.236 -1.171 1.00 0.00 C ATOM 120 O ARG A 8 -18.673 -0.322 -2.194 0.98 0.00 O ATOM 121 CB ARG A 8 -19.574 2.686 -1.276 0.34 0.00 C ATOM 122 CG ARG A 8 -20.351 3.661 -2.152 0.13 0.00 C ATOM 123 CD ARG A 8 -21.784 3.836 -1.676 0.73 0.00 C ATOM 124 NE ARG A 8 -22.615 4.501 -2.675 0.10 0.00 N ATOM 125 CZ ARG A 8 -23.835 4.967 -2.431 1.00 0.00 C ATOM 126 NH1 ARG A 8 -24.361 4.860 -1.218 0.09 0.00 N ATOM 127 NH2 ARG A 8 -24.532 5.545 -3.401 0.27 0.00 N ATOM 0 H ARG A 8 -21.092 1.956 0.531 0.68 0.00 H new ATOM 0 HA ARG A 8 -20.755 1.110 -2.141 0.46 0.00 H new ATOM 0 HB2 ARG A 8 -19.525 3.082 -0.262 0.34 0.00 H new ATOM 0 HB3 ARG A 8 -18.549 2.620 -1.642 0.34 0.00 H new ATOM 0 HG2 ARG A 8 -19.848 4.628 -2.152 0.13 0.00 H new ATOM 0 HG3 ARG A 8 -20.352 3.302 -3.181 0.13 0.00 H new ATOM 0 HD2 ARG A 8 -22.210 2.860 -1.442 0.73 0.00 H new ATOM 0 HD3 ARG A 8 -21.791 4.417 -0.754 0.73 0.00 H new ATOM 0 HE ARG A 8 -22.237 4.615 -3.615 0.10 0.00 H new ATOM 0 HH11 ARG A 8 -23.828 4.419 -0.468 0.09 0.00 H new ATOM 0 HH12 ARG A 8 -25.298 5.219 -1.035 0.09 0.00 H new ATOM 0 HH21 ARG A 8 -24.131 5.632 -4.335 0.27 0.00 H new ATOM 0 HH22 ARG A 8 -25.469 5.902 -3.213 0.27 0.00 H new ATOM 141 N LEU A 9 -18.564 -0.020 0.032 0.43 0.00 N ATOM 142 CA LEU A 9 -17.495 -0.997 0.222 0.13 0.00 C ATOM 143 C LEU A 9 -17.877 -2.353 -0.361 0.09 0.00 C ATOM 144 O LEU A 9 -17.023 -3.088 -0.858 0.79 0.00 O ATOM 145 CB LEU A 9 -17.163 -1.142 1.709 0.18 0.00 C ATOM 146 CG LEU A 9 -16.428 0.048 2.329 0.24 0.00 C ATOM 147 CD1 LEU A 9 -16.299 -0.130 3.834 0.13 0.00 C ATOM 148 CD2 LEU A 9 -15.057 0.216 1.691 0.37 0.00 C ATOM 0 H LEU A 9 -18.878 0.434 0.890 0.43 0.00 H new ATOM 0 HA LEU A 9 -16.614 -0.634 -0.307 0.13 0.00 H new ATOM 0 HB2 LEU A 9 -18.091 -1.303 2.258 0.18 0.00 H new ATOM 0 HB3 LEU A 9 -16.554 -2.036 1.844 0.18 0.00 H new ATOM 0 HG LEU A 9 -17.009 0.950 2.139 0.24 0.00 H new ATOM 0 HD11 LEU A 9 -15.774 0.726 4.258 0.13 0.00 H new ATOM 0 HD12 LEU A 9 -17.292 -0.203 4.278 0.13 0.00 H new ATOM 0 HD13 LEU A 9 -15.739 -1.041 4.046 0.13 0.00 H new ATOM 0 HD21 LEU A 9 -14.547 1.067 2.143 0.37 0.00 H new ATOM 0 HD22 LEU A 9 -14.468 -0.687 1.851 0.37 0.00 H new ATOM 0 HD23 LEU A 9 -15.172 0.389 0.621 0.37 0.00 H new ATOM 160 N MET A 10 -19.165 -2.678 -0.299 1.00 0.00 N ATOM 161 CA MET A 10 -19.657 -3.947 -0.824 0.19 0.00 C ATOM 162 C MET A 10 -19.652 -3.942 -2.350 0.19 0.00 C ATOM 163 O MET A 10 -19.379 -4.964 -2.982 1.00 0.00 O ATOM 164 CB MET A 10 -21.070 -4.224 -0.308 0.11 0.00 C ATOM 165 CG MET A 10 -21.168 -4.259 1.210 0.10 0.00 C ATOM 166 SD MET A 10 -22.830 -4.645 1.791 0.14 0.00 S ATOM 167 CE MET A 10 -23.065 -6.280 1.100 0.09 0.00 C ATOM 0 H MET A 10 -19.885 -2.082 0.109 1.00 0.00 H new ATOM 0 HA MET A 10 -18.991 -4.737 -0.478 0.19 0.00 H new ATOM 0 HB2 MET A 10 -21.744 -3.457 -0.690 0.11 0.00 H new ATOM 0 HB3 MET A 10 -21.413 -5.178 -0.708 0.11 0.00 H new ATOM 0 HG2 MET A 10 -20.470 -5.001 1.598 0.10 0.00 H new ATOM 0 HG3 MET A 10 -20.862 -3.293 1.612 0.10 0.00 H new ATOM 0 HE1 MET A 10 -23.594 -6.906 1.818 0.09 0.00 H new ATOM 0 HE2 MET A 10 -23.649 -6.207 0.183 0.09 0.00 H new ATOM 0 HE3 MET A 10 -22.095 -6.724 0.877 0.09 0.00 H new ATOM 177 N ARG A 11 -19.953 -2.788 -2.934 0.42 0.00 N ATOM 178 CA ARG A 11 -19.982 -2.647 -4.386 0.49 0.00 C ATOM 179 C ARG A 11 -18.582 -2.798 -4.976 0.05 0.00 C ATOM 180 O ARG A 11 -18.408 -3.369 -6.050 0.10 0.00 O ATOM 181 CB ARG A 11 -20.570 -1.290 -4.776 0.63 0.00 C ATOM 182 CG ARG A 11 -22.000 -1.088 -4.303 0.06 0.00 C ATOM 183 CD ARG A 11 -22.526 0.284 -4.695 1.00 0.00 C ATOM 184 NE ARG A 11 -23.897 0.497 -4.240 1.00 0.00 N ATOM 185 CZ ARG A 11 -24.603 1.591 -4.514 0.24 0.00 C ATOM 186 NH1 ARG A 11 -24.069 2.570 -5.233 0.14 0.00 N ATOM 187 NH2 ARG A 11 -25.846 1.704 -4.068 0.11 0.00 N ATOM 0 H ARG A 11 -20.181 -1.935 -2.424 0.42 0.00 H new ATOM 0 HA ARG A 11 -20.614 -3.438 -4.790 0.49 0.00 H new ATOM 0 HB2 ARG A 11 -19.944 -0.500 -4.362 0.63 0.00 H new ATOM 0 HB3 ARG A 11 -20.537 -1.187 -5.861 0.63 0.00 H new ATOM 0 HG2 ARG A 11 -22.639 -1.860 -4.731 0.06 0.00 H new ATOM 0 HG3 ARG A 11 -22.046 -1.201 -3.220 0.06 0.00 H new ATOM 0 HD2 ARG A 11 -21.880 1.054 -4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -22.483 0.392 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 11 -24.338 -0.233 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -23.113 2.486 -5.579 0.14 0.00 H new ATOM 0 HH12 ARG A 11 -24.615 3.407 -5.440 0.14 0.00 H new ATOM 0 HH21 ARG A 11 -26.260 0.953 -3.516 0.11 0.00 H new ATOM 0 HH22 ARG A 11 -26.389 2.542 -4.277 0.11 0.00 H new ATOM 201 N ASP A 12 -17.587 -2.279 -4.264 0.95 0.00 N ATOM 202 CA ASP A 12 -16.204 -2.359 -4.720 0.43 0.00 C ATOM 203 C ASP A 12 -15.684 -3.789 -4.630 0.99 0.00 C ATOM 204 O ASP A 12 -14.837 -4.205 -5.420 0.18 0.00 O ATOM 205 CB ASP A 12 -15.315 -1.430 -3.890 0.10 0.00 C ATOM 206 CG ASP A 12 -15.689 0.031 -4.052 1.00 0.00 C ATOM 207 OD1 ASP A 12 -15.317 0.628 -5.084 0.25 0.00 O ATOM 208 OD2 ASP A 12 -16.354 0.578 -3.147 0.99 0.00 O ATOM 0 H ASP A 12 -17.712 -1.800 -3.372 0.95 0.00 H new ATOM 0 HA ASP A 12 -16.174 -2.044 -5.763 0.43 0.00 H new ATOM 0 HB2 ASP A 12 -15.389 -1.706 -2.838 0.10 0.00 H new ATOM 0 HB3 ASP A 12 -14.275 -1.570 -4.184 0.10 0.00 H new ATOM 213 N PHE A 13 -16.203 -4.538 -3.664 0.07 0.00 N ATOM 214 CA PHE A 13 -15.791 -5.922 -3.459 1.00 0.00 C ATOM 215 C PHE A 13 -16.328 -6.833 -4.561 1.00 0.00 C ATOM 216 O PHE A 13 -15.560 -7.528 -5.227 0.47 0.00 O ATOM 217 CB PHE A 13 -16.264 -6.415 -2.089 0.10 0.00 C ATOM 218 CG PHE A 13 -15.936 -7.858 -1.815 0.85 0.00 C ATOM 219 CD1 PHE A 13 -14.656 -8.346 -2.024 0.06 0.00 C ATOM 220 CD2 PHE A 13 -16.911 -8.723 -1.343 0.07 0.00 C ATOM 221 CE1 PHE A 13 -14.354 -9.670 -1.769 0.08 0.00 C ATOM 222 CE2 PHE A 13 -16.615 -10.049 -1.088 0.94 0.00 C ATOM 223 CZ PHE A 13 -15.335 -10.523 -1.300 1.00 0.00 C ATOM 0 H PHE A 13 -16.912 -4.209 -3.009 0.07 0.00 H new ATOM 0 HA PHE A 13 -14.702 -5.957 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -15.811 -5.796 -1.315 0.10 0.00 H new ATOM 0 HB3 PHE A 13 -17.343 -6.277 -2.017 0.10 0.00 H new ATOM 0 HD1 PHE A 13 -13.886 -7.684 -2.390 0.06 0.00 H new ATOM 0 HD2 PHE A 13 -17.913 -8.357 -1.173 0.07 0.00 H new ATOM 0 HE1 PHE A 13 -13.352 -10.038 -1.936 0.08 0.00 H new ATOM 0 HE2 PHE A 13 -17.384 -10.714 -0.723 0.94 0.00 H new ATOM 0 HZ PHE A 13 -15.101 -11.558 -1.100 1.00 0.00 H new ATOM 233 N LYS A 14 -17.646 -6.830 -4.745 0.63 0.00 N ATOM 234 CA LYS A 14 -18.277 -7.666 -5.761 0.28 0.00 C ATOM 235 C LYS A 14 -17.686 -7.395 -7.143 0.10 0.00 C ATOM 236 O LYS A 14 -17.616 -8.292 -7.983 0.16 0.00 O ATOM 237 CB LYS A 14 -19.790 -7.444 -5.778 0.05 0.00 C ATOM 238 CG LYS A 14 -20.210 -6.067 -6.259 0.63 0.00 C ATOM 239 CD LYS A 14 -20.585 -6.083 -7.734 0.66 0.00 C ATOM 240 CE LYS A 14 -21.247 -4.782 -8.161 1.00 0.00 C ATOM 241 NZ LYS A 14 -20.370 -3.604 -7.916 1.00 0.00 N ATOM 0 H LYS A 14 -18.296 -6.259 -4.205 0.63 0.00 H new ATOM 0 HA LYS A 14 -18.079 -8.707 -5.506 0.28 0.00 H new ATOM 0 HB2 LYS A 14 -20.249 -8.196 -6.419 0.05 0.00 H new ATOM 0 HB3 LYS A 14 -20.180 -7.600 -4.772 0.05 0.00 H new ATOM 0 HG2 LYS A 14 -21.058 -5.718 -5.670 0.63 0.00 H new ATOM 0 HG3 LYS A 14 -19.397 -5.360 -6.097 0.63 0.00 H new ATOM 0 HD2 LYS A 14 -19.691 -6.251 -8.335 0.66 0.00 H new ATOM 0 HD3 LYS A 14 -21.261 -6.916 -7.929 0.66 0.00 H new ATOM 0 HE2 LYS A 14 -21.498 -4.833 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.183 -4.656 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.910 -2.867 -7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.558 -3.891 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -20.029 -3.230 -8.825 1.00 0.00 H new ATOM 255 N ARG A 15 -17.272 -6.155 -7.375 0.25 0.00 N ATOM 256 CA ARG A 15 -16.687 -5.772 -8.657 0.08 0.00 C ATOM 257 C ARG A 15 -15.221 -6.190 -8.744 1.00 0.00 C ATOM 258 O ARG A 15 -14.693 -6.408 -9.835 0.33 0.00 O ATOM 259 CB ARG A 15 -16.808 -4.260 -8.865 0.41 0.00 C ATOM 260 CG ARG A 15 -16.278 -3.789 -10.208 0.18 0.00 C ATOM 261 CD ARG A 15 -16.377 -2.280 -10.353 1.00 0.00 C ATOM 262 NE ARG A 15 -15.884 -1.825 -11.650 1.00 0.00 N ATOM 263 CZ ARG A 15 -16.079 -0.601 -12.128 1.00 0.00 C ATOM 264 NH1 ARG A 15 -16.762 0.290 -11.421 0.53 0.00 N ATOM 265 NH2 ARG A 15 -15.592 -0.267 -13.315 0.06 0.00 N ATOM 0 H ARG A 15 -17.330 -5.398 -6.694 0.25 0.00 H new ATOM 0 HA ARG A 15 -17.238 -6.290 -9.442 0.08 0.00 H new ATOM 0 HB2 ARG A 15 -17.855 -3.972 -8.775 0.41 0.00 H new ATOM 0 HB3 ARG A 15 -16.267 -3.747 -8.070 0.41 0.00 H new ATOM 0 HG2 ARG A 15 -15.238 -4.098 -10.318 0.18 0.00 H new ATOM 0 HG3 ARG A 15 -16.839 -4.269 -11.010 0.18 0.00 H new ATOM 0 HD2 ARG A 15 -17.415 -1.971 -10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.805 -1.800 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.359 -2.486 -12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.139 0.036 -10.508 0.53 0.00 H new ATOM 0 HH12 ARG A 15 -16.910 1.229 -11.791 0.53 0.00 H new ATOM 0 HH21 ARG A 15 -15.067 -0.950 -13.862 0.06 0.00 H new ATOM 0 HH22 ARG A 15 -15.742 0.673 -13.682 0.06 0.00 H new ATOM 279 N LEU A 16 -14.570 -6.303 -7.591 0.09 0.00 N ATOM 280 CA LEU A 16 -13.162 -6.682 -7.543 0.90 0.00 C ATOM 281 C LEU A 16 -12.968 -8.152 -7.903 0.05 0.00 C ATOM 282 O LEU A 16 -12.072 -8.495 -8.672 1.00 0.00 O ATOM 283 CB LEU A 16 -12.588 -6.396 -6.152 0.06 0.00 C ATOM 284 CG LEU A 16 -11.069 -6.553 -6.026 1.00 0.00 C ATOM 285 CD1 LEU A 16 -10.522 -5.585 -4.988 0.12 0.00 C ATOM 286 CD2 LEU A 16 -10.705 -7.984 -5.657 1.00 0.00 C ATOM 0 H LEU A 16 -14.994 -6.138 -6.678 0.09 0.00 H new ATOM 0 HA LEU A 16 -12.627 -6.085 -8.281 0.90 0.00 H new ATOM 0 HB2 LEU A 16 -12.856 -5.378 -5.868 0.06 0.00 H new ATOM 0 HB3 LEU A 16 -13.066 -7.063 -5.435 0.06 0.00 H new ATOM 0 HG LEU A 16 -10.619 -6.322 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.442 -5.708 -4.909 0.12 0.00 H new ATOM 0 HD12 LEU A 16 -10.750 -4.562 -5.288 0.12 0.00 H new ATOM 0 HD13 LEU A 16 -10.982 -5.790 -4.021 0.12 0.00 H new ATOM 0 HD21 LEU A 16 -9.622 -8.074 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.166 -8.242 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.066 -8.662 -6.430 1.00 0.00 H new ATOM 298 N GLN A 17 -13.813 -9.018 -7.347 0.22 0.00 N ATOM 299 CA GLN A 17 -13.727 -10.446 -7.609 0.13 0.00 C ATOM 300 C GLN A 17 -13.938 -10.753 -9.088 1.00 0.00 C ATOM 301 O GLN A 17 -13.438 -11.755 -9.601 1.00 0.00 O ATOM 302 CB GLN A 17 -14.756 -11.194 -6.764 0.57 0.00 C ATOM 303 CG GLN A 17 -16.193 -10.793 -7.049 0.26 0.00 C ATOM 304 CD GLN A 17 -17.192 -11.579 -6.222 0.10 0.00 C ATOM 305 OE1 GLN A 17 -16.903 -11.986 -5.099 1.00 0.00 O ATOM 306 NE2 GLN A 17 -18.378 -11.801 -6.781 0.35 0.00 N ATOM 0 H GLN A 17 -14.565 -8.751 -6.712 0.22 0.00 H new ATOM 0 HA GLN A 17 -12.726 -10.780 -7.337 0.13 0.00 H new ATOM 0 HB2 GLN A 17 -14.646 -12.264 -6.938 0.57 0.00 H new ATOM 0 HB3 GLN A 17 -14.542 -11.019 -5.710 0.57 0.00 H new ATOM 0 HG2 GLN A 17 -16.316 -9.729 -6.847 0.26 0.00 H new ATOM 0 HG3 GLN A 17 -16.405 -10.943 -8.108 0.26 0.00 H new ATOM 0 HE21 GLN A 17 -18.576 -11.445 -7.716 0.35 0.00 H new ATOM 0 HE22 GLN A 17 -19.090 -12.328 -6.275 0.35 0.00 H new ATOM 315 N GLU A 18 -14.681 -9.886 -9.771 0.61 0.00 N ATOM 316 CA GLU A 18 -14.953 -10.065 -11.193 0.66 0.00 C ATOM 317 C GLU A 18 -13.665 -10.018 -12.008 1.00 0.00 C ATOM 318 O GLU A 18 -13.401 -10.902 -12.822 1.00 0.00 O ATOM 319 CB GLU A 18 -15.921 -8.990 -11.689 0.05 0.00 C ATOM 320 CG GLU A 18 -17.313 -9.101 -11.091 1.00 0.00 C ATOM 321 CD GLU A 18 -18.002 -10.404 -11.449 0.27 0.00 C ATOM 322 OE1 GLU A 18 -18.666 -10.452 -12.506 0.97 0.00 O ATOM 323 OE2 GLU A 18 -17.877 -11.376 -10.675 0.06 0.00 O ATOM 0 H GLU A 18 -15.105 -9.053 -9.362 0.61 0.00 H new ATOM 0 HA GLU A 18 -15.409 -11.046 -11.326 0.66 0.00 H new ATOM 0 HB2 GLU A 18 -15.511 -8.008 -11.454 0.05 0.00 H new ATOM 0 HB3 GLU A 18 -15.995 -9.053 -12.775 0.05 0.00 H new ATOM 0 HG2 GLU A 18 -17.246 -9.016 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.921 -8.266 -11.439 1.00 0.00 H new ATOM 330 N ASP A 19 -12.868 -8.978 -11.783 1.00 0.00 N ATOM 331 CA ASP A 19 -11.609 -8.812 -12.495 0.08 0.00 C ATOM 332 C ASP A 19 -10.529 -8.251 -11.571 0.63 0.00 C ATOM 333 O ASP A 19 -10.135 -7.092 -11.700 0.59 0.00 O ATOM 334 CB ASP A 19 -11.795 -7.889 -13.700 0.49 0.00 C ATOM 335 CG ASP A 19 -12.814 -8.421 -14.687 0.62 0.00 C ATOM 336 OD1 ASP A 19 -12.431 -9.234 -15.555 1.00 0.00 O ATOM 337 OD2 ASP A 19 -13.995 -8.023 -14.597 0.10 0.00 O ATOM 0 H ASP A 19 -13.074 -8.238 -11.112 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.289 -9.793 -12.845 0.08 0.00 H new ATOM 0 HB2 ASP A 19 -12.109 -6.904 -13.354 0.49 0.00 H new ATOM 0 HB3 ASP A 19 -10.838 -7.759 -14.205 0.49 0.00 H new ATOM 342 N PRO A 20 -10.049 -9.069 -10.615 1.00 0.00 N ATOM 343 CA PRO A 20 -9.009 -8.656 -9.670 0.14 0.00 C ATOM 344 C PRO A 20 -7.838 -7.957 -10.363 1.00 0.00 C ATOM 345 O PRO A 20 -7.473 -8.317 -11.483 0.29 0.00 O ATOM 346 CB PRO A 20 -8.552 -9.981 -9.055 0.79 0.00 C ATOM 347 CG PRO A 20 -9.747 -10.866 -9.136 1.00 0.00 C ATOM 348 CD PRO A 20 -10.494 -10.457 -10.378 1.00 0.00 C ATOM 0 HA PRO A 20 -9.379 -7.934 -8.942 0.14 0.00 H new ATOM 0 HB2 PRO A 20 -7.709 -10.402 -9.603 0.79 0.00 H new ATOM 0 HB3 PRO A 20 -8.227 -9.848 -8.023 0.79 0.00 H new ATOM 0 HG2 PRO A 20 -9.452 -11.914 -9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.374 -10.755 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.253 -11.104 -11.221 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.573 -10.512 -10.232 1.00 0.00 H new ATOM 356 N PRO A 21 -7.231 -6.944 -9.711 0.06 0.00 N ATOM 357 CA PRO A 21 -6.102 -6.202 -10.285 0.97 0.00 C ATOM 358 C PRO A 21 -4.928 -7.112 -10.632 0.14 0.00 C ATOM 359 O PRO A 21 -4.678 -8.106 -9.952 1.00 0.00 O ATOM 360 CB PRO A 21 -5.707 -5.211 -9.180 0.39 0.00 C ATOM 361 CG PRO A 21 -6.340 -5.736 -7.936 0.17 0.00 C ATOM 362 CD PRO A 21 -7.587 -6.447 -8.373 0.61 0.00 C ATOM 0 HA PRO A 21 -6.375 -5.717 -11.222 0.97 0.00 H new ATOM 0 HB2 PRO A 21 -4.624 -5.150 -9.075 0.39 0.00 H new ATOM 0 HB3 PRO A 21 -6.062 -4.206 -9.408 0.39 0.00 H new ATOM 0 HG2 PRO A 21 -5.667 -6.415 -7.413 0.17 0.00 H new ATOM 0 HG3 PRO A 21 -6.575 -4.926 -7.246 0.17 0.00 H new ATOM 0 HD2 PRO A 21 -7.846 -7.261 -7.696 0.61 0.00 H new ATOM 0 HD3 PRO A 21 -8.444 -5.775 -8.407 0.61 0.00 H new ATOM 370 N VAL A 22 -4.210 -6.762 -11.695 0.52 0.00 N ATOM 371 CA VAL A 22 -3.067 -7.550 -12.141 1.00 0.00 C ATOM 372 C VAL A 22 -1.798 -7.164 -11.386 0.80 0.00 C ATOM 373 O VAL A 22 -1.350 -6.019 -11.449 0.09 0.00 O ATOM 374 CB VAL A 22 -2.821 -7.378 -13.653 0.16 0.00 C ATOM 375 CG1 VAL A 22 -1.748 -8.343 -14.136 1.00 0.00 C ATOM 376 CG2 VAL A 22 -4.114 -7.574 -14.430 0.31 0.00 C ATOM 0 H VAL A 22 -4.400 -5.937 -12.264 0.52 0.00 H new ATOM 0 HA VAL A 22 -3.306 -8.593 -11.933 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.467 -6.362 -13.830 0.16 0.00 H new ATOM 0 HG11 VAL A 22 -1.590 -8.205 -15.206 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.817 -8.148 -13.603 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.068 -9.368 -13.945 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.921 -7.449 -15.495 0.31 0.00 H new ATOM 0 HG22 VAL A 22 -4.500 -8.577 -14.247 0.31 0.00 H new ATOM 0 HG23 VAL A 22 -4.849 -6.837 -14.105 0.31 0.00 H new ATOM 386 N GLY A 23 -1.225 -8.129 -10.671 0.08 0.00 N ATOM 387 CA GLY A 23 -0.013 -7.875 -9.917 0.63 0.00 C ATOM 388 C GLY A 23 -0.269 -7.734 -8.429 0.39 0.00 C ATOM 389 O GLY A 23 0.632 -7.947 -7.615 0.39 0.00 O ATOM 0 H GLY A 23 -1.580 -9.083 -10.602 0.08 0.00 H new ATOM 0 HA2 GLY A 23 0.692 -8.689 -10.085 0.63 0.00 H new ATOM 0 HA3 GLY A 23 0.457 -6.965 -10.289 0.63 0.00 H new ATOM 393 N VAL A 24 -1.497 -7.373 -8.071 0.91 0.00 N ATOM 394 CA VAL A 24 -1.869 -7.200 -6.672 0.18 0.00 C ATOM 395 C VAL A 24 -3.285 -7.702 -6.407 0.15 0.00 C ATOM 396 O VAL A 24 -4.048 -7.957 -7.338 0.24 0.00 O ATOM 397 CB VAL A 24 -1.775 -5.722 -6.249 1.00 0.00 C ATOM 398 CG1 VAL A 24 -0.331 -5.245 -6.288 0.06 0.00 C ATOM 399 CG2 VAL A 24 -2.652 -4.857 -7.141 0.33 0.00 C ATOM 0 H VAL A 24 -2.253 -7.194 -8.732 0.91 0.00 H new ATOM 0 HA VAL A 24 -1.165 -7.789 -6.084 0.18 0.00 H new ATOM 0 HB VAL A 24 -2.135 -5.633 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.285 -4.199 -5.986 0.06 0.00 H new ATOM 0 HG12 VAL A 24 0.269 -5.846 -5.605 0.06 0.00 H new ATOM 0 HG13 VAL A 24 0.059 -5.348 -7.301 0.06 0.00 H new ATOM 0 HG21 VAL A 24 -2.574 -3.816 -6.828 0.33 0.00 H new ATOM 0 HG22 VAL A 24 -2.323 -4.951 -8.176 0.33 0.00 H new ATOM 0 HG23 VAL A 24 -3.689 -5.184 -7.059 0.33 0.00 H new ATOM 409 N SER A 25 -3.627 -7.846 -5.130 0.35 0.00 N ATOM 410 CA SER A 25 -4.955 -8.312 -4.742 0.73 0.00 C ATOM 411 C SER A 25 -5.366 -7.722 -3.397 0.11 0.00 C ATOM 412 O SER A 25 -4.540 -7.577 -2.497 0.19 0.00 O ATOM 413 CB SER A 25 -4.985 -9.840 -4.672 0.18 0.00 C ATOM 414 OG SER A 25 -4.666 -10.414 -5.928 0.20 0.00 O ATOM 0 H SER A 25 -3.004 -7.647 -4.347 0.35 0.00 H new ATOM 0 HA SER A 25 -5.665 -7.977 -5.499 0.73 0.00 H new ATOM 0 HB2 SER A 25 -4.277 -10.187 -3.920 0.18 0.00 H new ATOM 0 HB3 SER A 25 -5.974 -10.173 -4.357 0.18 0.00 H new ATOM 0 HG SER A 25 -4.690 -11.391 -5.857 0.20 0.00 H new ATOM 420 N GLY A 26 -6.644 -7.377 -3.269 0.57 0.00 N ATOM 421 CA GLY A 26 -7.139 -6.810 -2.028 1.00 0.00 C ATOM 422 C GLY A 26 -8.555 -7.247 -1.711 0.43 0.00 C ATOM 423 O GLY A 26 -9.502 -6.848 -2.388 1.00 0.00 O ATOM 0 H GLY A 26 -7.345 -7.480 -4.003 0.57 0.00 H new ATOM 0 HA2 GLY A 26 -6.481 -7.104 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.104 -5.722 -2.090 1.00 0.00 H new ATOM 427 N ALA A 27 -8.699 -8.070 -0.677 0.08 0.00 N ATOM 428 CA ALA A 27 -10.008 -8.565 -0.272 0.16 0.00 C ATOM 429 C ALA A 27 -10.012 -8.964 1.204 0.30 0.00 C ATOM 430 O ALA A 27 -8.976 -9.344 1.749 1.00 0.00 O ATOM 431 CB ALA A 27 -10.414 -9.745 -1.143 0.28 0.00 C ATOM 0 H ALA A 27 -7.925 -8.408 -0.105 0.08 0.00 H new ATOM 0 HA ALA A 27 -10.733 -7.762 -0.405 0.16 0.00 H new ATOM 0 HB1 ALA A 27 -11.394 -10.107 -0.832 0.28 0.00 H new ATOM 0 HB2 ALA A 27 -10.458 -9.430 -2.185 0.28 0.00 H new ATOM 0 HB3 ALA A 27 -9.681 -10.545 -1.037 0.28 0.00 H new ATOM 437 N PRO A 28 -11.179 -8.884 1.871 0.13 0.00 N ATOM 438 CA PRO A 28 -11.303 -9.241 3.289 0.98 0.00 C ATOM 439 C PRO A 28 -11.106 -10.734 3.527 0.14 0.00 C ATOM 440 O PRO A 28 -11.833 -11.560 2.976 1.00 0.00 O ATOM 441 CB PRO A 28 -12.736 -8.828 3.639 0.09 0.00 C ATOM 442 CG PRO A 28 -13.467 -8.857 2.343 1.00 0.00 C ATOM 443 CD PRO A 28 -12.467 -8.443 1.300 0.10 0.00 C ATOM 0 HA PRO A 28 -10.545 -8.751 3.900 0.98 0.00 H new ATOM 0 HB2 PRO A 28 -13.181 -9.514 4.359 0.09 0.00 H new ATOM 0 HB3 PRO A 28 -12.763 -7.834 4.086 0.09 0.00 H new ATOM 0 HG2 PRO A 28 -13.858 -9.853 2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.319 -8.178 2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.666 -8.920 0.340 0.10 0.00 H new ATOM 0 HD3 PRO A 28 -12.485 -7.366 1.131 0.10 0.00 H new ATOM 451 N SER A 29 -10.118 -11.072 4.348 1.00 0.00 N ATOM 452 CA SER A 29 -9.823 -12.467 4.656 1.00 0.00 C ATOM 453 C SER A 29 -10.453 -12.885 5.981 1.00 0.00 C ATOM 454 O SER A 29 -11.472 -13.576 6.002 0.56 0.00 O ATOM 455 CB SER A 29 -8.311 -12.692 4.700 0.38 0.00 C ATOM 456 OG SER A 29 -8.003 -14.049 4.967 0.71 0.00 O ATOM 0 H SER A 29 -9.508 -10.399 4.812 1.00 0.00 H new ATOM 0 HA SER A 29 -10.253 -13.083 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.869 -12.396 3.749 0.38 0.00 H new ATOM 0 HB3 SER A 29 -7.868 -12.058 5.468 0.38 0.00 H new ATOM 0 HG SER A 29 -7.030 -14.166 4.988 0.71 0.00 H new ATOM 462 N GLU A 30 -9.844 -12.462 7.084 0.15 0.00 N ATOM 463 CA GLU A 30 -10.349 -12.794 8.411 0.13 0.00 C ATOM 464 C GLU A 30 -10.995 -11.575 9.062 0.11 0.00 C ATOM 465 O GLU A 30 -12.012 -11.690 9.749 0.38 0.00 O ATOM 466 CB GLU A 30 -9.216 -13.321 9.294 0.09 0.00 C ATOM 467 CG GLU A 30 -9.686 -13.861 10.635 1.00 0.00 C ATOM 468 CD GLU A 30 -8.540 -14.350 11.501 0.58 0.00 C ATOM 469 OE1 GLU A 30 -8.128 -15.517 11.338 1.00 0.00 O ATOM 470 OE2 GLU A 30 -8.057 -13.565 12.344 0.15 0.00 O ATOM 0 H GLU A 30 -9.000 -11.889 7.085 0.15 0.00 H new ATOM 0 HA GLU A 30 -11.105 -13.572 8.304 0.13 0.00 H new ATOM 0 HB2 GLU A 30 -8.688 -14.111 8.759 0.09 0.00 H new ATOM 0 HB3 GLU A 30 -8.499 -12.519 9.467 0.09 0.00 H new ATOM 0 HG2 GLU A 30 -10.231 -13.080 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.385 -14.680 10.468 1.00 0.00 H new ATOM 477 N ASN A 31 -10.394 -10.410 8.844 0.30 0.00 N ATOM 478 CA ASN A 31 -10.909 -9.164 9.401 0.08 0.00 C ATOM 479 C ASN A 31 -12.238 -8.791 8.755 0.65 0.00 C ATOM 480 O ASN A 31 -12.459 -9.048 7.572 1.00 0.00 O ATOM 481 CB ASN A 31 -9.898 -8.035 9.193 1.00 0.00 C ATOM 482 CG ASN A 31 -8.554 -8.332 9.828 0.45 0.00 C ATOM 483 OD1 ASN A 31 -8.471 -9.034 10.835 0.69 0.00 O ATOM 484 ND2 ASN A 31 -7.492 -7.796 9.239 0.05 0.00 N ATOM 0 H ASN A 31 -9.548 -10.303 8.284 0.30 0.00 H new ATOM 0 HA ASN A 31 -11.070 -9.310 10.469 0.08 0.00 H new ATOM 0 HB2 ASN A 31 -9.762 -7.867 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.298 -7.112 9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.560 -7.960 9.620 0.05 0.00 H new ATOM 0 HD22 ASN A 31 -7.608 -7.220 8.405 0.05 0.00 H new ATOM 491 N ASN A 32 -13.124 -8.183 9.542 0.60 0.00 N ATOM 492 CA ASN A 32 -14.432 -7.770 9.047 0.17 0.00 C ATOM 493 C ASN A 32 -14.296 -6.763 7.908 0.69 0.00 C ATOM 494 O ASN A 32 -13.191 -6.471 7.452 0.17 0.00 O ATOM 495 CB ASN A 32 -15.261 -7.165 10.183 1.00 0.00 C ATOM 496 CG ASN A 32 -15.545 -8.164 11.288 0.06 0.00 C ATOM 497 OD1 ASN A 32 -15.640 -9.367 11.041 0.37 0.00 O ATOM 498 ND2 ASN A 32 -15.681 -7.672 12.513 0.21 0.00 N ATOM 0 H ASN A 32 -12.958 -7.966 10.525 0.60 0.00 H new ATOM 0 HA ASN A 32 -14.941 -8.654 8.663 0.17 0.00 H new ATOM 0 HB2 ASN A 32 -14.731 -6.308 10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.204 -6.793 9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.872 -8.298 13.296 0.21 0.00 H new ATOM 0 HD22 ASN A 32 -15.594 -6.668 12.672 0.21 0.00 H new ATOM 505 N ILE A 33 -15.430 -6.237 7.451 0.32 0.00 N ATOM 506 CA ILE A 33 -15.441 -5.266 6.362 1.00 0.00 C ATOM 507 C ILE A 33 -14.582 -4.046 6.694 0.65 0.00 C ATOM 508 O ILE A 33 -14.149 -3.319 5.798 0.09 0.00 O ATOM 509 CB ILE A 33 -16.879 -4.810 6.040 1.00 0.00 C ATOM 510 CG1 ILE A 33 -16.898 -3.937 4.781 0.25 0.00 C ATOM 511 CG2 ILE A 33 -17.477 -4.062 7.223 0.08 0.00 C ATOM 512 CD1 ILE A 33 -18.289 -3.661 4.253 0.85 0.00 C ATOM 0 H ILE A 33 -16.353 -6.468 7.819 0.32 0.00 H new ATOM 0 HA ILE A 33 -15.021 -5.762 5.487 1.00 0.00 H new ATOM 0 HB ILE A 33 -17.488 -5.694 5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -16.407 -2.989 5.000 0.25 0.00 H new ATOM 0 HG13 ILE A 33 -16.314 -4.426 4.002 0.25 0.00 H new ATOM 0 HG21 ILE A 33 -18.492 -3.747 6.979 0.08 0.00 H new ATOM 0 HG22 ILE A 33 -17.500 -4.717 8.094 0.08 0.00 H new ATOM 0 HG23 ILE A 33 -16.868 -3.185 7.444 0.08 0.00 H new ATOM 0 HD11 ILE A 33 -18.223 -3.038 3.361 0.85 0.00 H new ATOM 0 HD12 ILE A 33 -18.776 -4.603 4.002 0.85 0.00 H new ATOM 0 HD13 ILE A 33 -18.871 -3.143 5.015 0.85 0.00 H new ATOM 524 N MET A 34 -14.333 -3.831 7.984 0.80 0.00 N ATOM 525 CA MET A 34 -13.522 -2.701 8.431 1.00 0.00 C ATOM 526 C MET A 34 -12.119 -2.769 7.836 0.09 0.00 C ATOM 527 O MET A 34 -11.718 -1.897 7.064 0.58 0.00 O ATOM 528 CB MET A 34 -13.438 -2.675 9.959 0.21 0.00 C ATOM 529 CG MET A 34 -14.784 -2.497 10.641 0.12 0.00 C ATOM 530 SD MET A 34 -14.645 -2.389 12.436 1.00 0.00 S ATOM 531 CE MET A 34 -13.652 -0.909 12.612 0.70 0.00 C ATOM 0 H MET A 34 -14.681 -4.424 8.738 0.80 0.00 H new ATOM 0 HA MET A 34 -14.002 -1.785 8.085 1.00 0.00 H new ATOM 0 HB2 MET A 34 -12.985 -3.604 10.305 0.21 0.00 H new ATOM 0 HB3 MET A 34 -12.776 -1.865 10.264 0.21 0.00 H new ATOM 0 HG2 MET A 34 -15.262 -1.593 10.263 0.12 0.00 H new ATOM 0 HG3 MET A 34 -15.432 -3.334 10.380 0.12 0.00 H new ATOM 0 HE1 MET A 34 -14.022 -0.320 13.451 0.70 0.00 H new ATOM 0 HE2 MET A 34 -12.614 -1.187 12.794 0.70 0.00 H new ATOM 0 HE3 MET A 34 -13.715 -0.318 11.698 0.70 0.00 H new ATOM 541 N GLN A 35 -11.376 -3.811 8.200 0.84 0.00 N ATOM 542 CA GLN A 35 -10.017 -3.993 7.702 1.00 0.00 C ATOM 543 C GLN A 35 -9.966 -5.066 6.623 1.00 0.00 C ATOM 544 O GLN A 35 -10.597 -6.117 6.742 0.18 0.00 O ATOM 545 CB GLN A 35 -9.074 -4.359 8.848 0.10 0.00 C ATOM 546 CG GLN A 35 -8.651 -3.167 9.687 0.80 0.00 C ATOM 547 CD GLN A 35 -7.960 -3.572 10.976 0.22 0.00 C ATOM 548 OE1 GLN A 35 -7.263 -4.702 10.948 1.00 0.00 O flip ATOM 549 NE2 GLN A 35 -8.051 -2.874 11.987 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.693 -4.541 8.838 0.84 0.00 H new ATOM 0 HA GLN A 35 -9.693 -3.050 7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.563 -5.091 9.491 0.10 0.00 H new ATOM 0 HB3 GLN A 35 -8.185 -4.839 8.438 0.10 0.00 H new ATOM 0 HG2 GLN A 35 -7.980 -2.537 9.103 0.80 0.00 H new ATOM 0 HG3 GLN A 35 -9.528 -2.565 9.924 0.80 0.00 H new ATOM 0 HE21 GLN A 35 -8.597 -2.013 11.965 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.580 -3.157 12.846 1.00 0.00 H new ATOM 558 N TRP A 36 -9.207 -4.792 5.569 0.25 0.00 N ATOM 559 CA TRP A 36 -9.066 -5.728 4.457 0.22 0.00 C ATOM 560 C TRP A 36 -7.635 -6.248 4.359 1.00 0.00 C ATOM 561 O TRP A 36 -6.681 -5.519 4.630 1.00 0.00 O ATOM 562 CB TRP A 36 -9.462 -5.057 3.139 0.09 0.00 C ATOM 563 CG TRP A 36 -10.944 -4.949 2.930 0.09 0.00 C ATOM 564 CD1 TRP A 36 -11.922 -4.984 3.885 1.00 0.00 C ATOM 565 CD2 TRP A 36 -11.617 -4.786 1.675 0.50 0.00 C ATOM 566 NE1 TRP A 36 -13.158 -4.855 3.299 0.26 0.00 N ATOM 567 CE2 TRP A 36 -12.998 -4.732 1.944 0.35 0.00 C ATOM 568 CE3 TRP A 36 -11.184 -4.682 0.350 0.07 0.00 C ATOM 569 CZ2 TRP A 36 -13.946 -4.577 0.936 1.00 0.00 C ATOM 570 CZ3 TRP A 36 -12.126 -4.529 -0.648 1.00 0.00 C ATOM 571 CH2 TRP A 36 -13.493 -4.476 -0.352 0.06 0.00 C ATOM 0 H TRP A 36 -8.678 -3.927 5.460 0.25 0.00 H new ATOM 0 HA TRP A 36 -9.731 -6.571 4.644 0.22 0.00 H new ATOM 0 HB2 TRP A 36 -9.027 -4.058 3.107 0.09 0.00 H new ATOM 0 HB3 TRP A 36 -9.029 -5.620 2.312 0.09 0.00 H new ATOM 0 HD1 TRP A 36 -11.748 -5.097 4.945 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.050 -4.851 3.793 0.26 0.00 H new ATOM 0 HE3 TRP A 36 -10.131 -4.721 0.111 0.07 0.00 H new ATOM 0 HZ2 TRP A 36 -15.001 -4.538 1.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.802 -4.449 -1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -14.204 -4.353 -1.155 0.06 0.00 H new ATOM 582 N ASN A 37 -7.497 -7.510 3.969 0.08 0.00 N ATOM 583 CA ASN A 37 -6.183 -8.128 3.831 0.11 0.00 C ATOM 584 C ASN A 37 -5.757 -8.169 2.368 0.12 0.00 C ATOM 585 O ASN A 37 -6.229 -9.004 1.597 1.00 0.00 O ATOM 586 CB ASN A 37 -6.198 -9.543 4.412 1.00 0.00 C ATOM 587 CG ASN A 37 -4.841 -10.216 4.332 0.30 0.00 C ATOM 588 OD1 ASN A 37 -3.803 -9.555 4.385 0.10 0.00 O ATOM 589 ND2 ASN A 37 -4.841 -11.537 4.202 0.11 0.00 N ATOM 0 H ASN A 37 -8.278 -8.125 3.743 0.08 0.00 H new ATOM 0 HA ASN A 37 -5.463 -7.525 4.385 0.11 0.00 H new ATOM 0 HB2 ASN A 37 -6.519 -9.502 5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.931 -10.145 3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.958 -12.044 4.142 0.11 0.00 H new ATOM 0 HD22 ASN A 37 -5.724 -12.046 4.162 0.11 0.00 H new ATOM 596 N ALA A 38 -4.863 -7.259 1.991 0.21 0.00 N ATOM 597 CA ALA A 38 -4.377 -7.189 0.617 1.00 0.00 C ATOM 598 C ALA A 38 -2.910 -7.592 0.525 0.12 0.00 C ATOM 599 O ALA A 38 -2.139 -7.395 1.464 1.00 0.00 O ATOM 600 CB ALA A 38 -4.574 -5.788 0.062 0.18 0.00 C ATOM 0 H ALA A 38 -4.461 -6.561 2.617 0.21 0.00 H new ATOM 0 HA ALA A 38 -4.955 -7.894 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.208 -5.748 -0.964 0.18 0.00 H new ATOM 0 HB2 ALA A 38 -5.634 -5.536 0.079 0.18 0.00 H new ATOM 0 HB3 ALA A 38 -4.022 -5.074 0.673 0.18 0.00 H new ATOM 606 N VAL A 39 -2.535 -8.156 -0.619 0.22 0.00 N ATOM 607 CA VAL A 39 -1.163 -8.585 -0.852 0.22 0.00 C ATOM 608 C VAL A 39 -0.583 -7.907 -2.090 0.47 0.00 C ATOM 609 O VAL A 39 -1.105 -8.062 -3.194 0.59 0.00 O ATOM 610 CB VAL A 39 -1.079 -10.112 -1.030 0.09 0.00 C ATOM 611 CG1 VAL A 39 0.367 -10.558 -1.171 0.08 0.00 C ATOM 612 CG2 VAL A 39 -1.755 -10.825 0.131 0.11 0.00 C ATOM 0 H VAL A 39 -3.167 -8.327 -1.402 0.22 0.00 H new ATOM 0 HA VAL A 39 -0.583 -8.296 0.024 0.22 0.00 H new ATOM 0 HB VAL A 39 -1.606 -10.379 -1.946 0.09 0.00 H new ATOM 0 HG11 VAL A 39 0.403 -11.640 -1.296 0.08 0.00 H new ATOM 0 HG12 VAL A 39 0.813 -10.077 -2.042 0.08 0.00 H new ATOM 0 HG13 VAL A 39 0.923 -10.277 -0.277 0.08 0.00 H new ATOM 0 HG21 VAL A 39 -1.685 -11.903 -0.014 0.11 0.00 H new ATOM 0 HG22 VAL A 39 -1.261 -10.551 1.063 0.11 0.00 H new ATOM 0 HG23 VAL A 39 -2.804 -10.533 0.176 0.11 0.00 H new ATOM 622 N ILE A 40 0.496 -7.156 -1.899 1.00 0.00 N ATOM 623 CA ILE A 40 1.146 -6.454 -2.999 0.09 0.00 C ATOM 624 C ILE A 40 2.509 -7.063 -3.304 0.08 0.00 C ATOM 625 O ILE A 40 3.378 -7.134 -2.435 0.20 0.00 O ATOM 626 CB ILE A 40 1.322 -4.951 -2.690 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.045 -4.280 -2.532 1.00 0.00 C ATOM 628 CG2 ILE A 40 2.132 -4.269 -3.788 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.033 -2.809 -2.177 0.15 0.00 C ATOM 0 H ILE A 40 0.939 -7.018 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 40 0.497 -6.560 -3.869 0.09 0.00 H new ATOM 0 HB ILE A 40 1.868 -4.850 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.603 -4.391 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.608 -4.802 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.245 -3.211 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.116 -4.733 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.614 -4.375 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.974 -2.404 -2.082 0.15 0.00 H new ATOM 0 HD12 ILE A 40 0.562 -2.690 -1.232 0.15 0.00 H new ATOM 0 HD13 ILE A 40 0.567 -2.273 -2.962 0.15 0.00 H new ATOM 641 N PHE A 41 2.687 -7.503 -4.543 1.00 0.00 N ATOM 642 CA PHE A 41 3.944 -8.107 -4.966 0.42 0.00 C ATOM 643 C PHE A 41 4.848 -7.070 -5.621 0.07 0.00 C ATOM 644 O PHE A 41 4.402 -6.287 -6.461 0.07 0.00 O ATOM 645 CB PHE A 41 3.679 -9.258 -5.937 0.90 0.00 C ATOM 646 CG PHE A 41 2.741 -10.301 -5.396 1.00 0.00 C ATOM 647 CD1 PHE A 41 3.056 -11.005 -4.244 0.80 0.00 C ATOM 648 CD2 PHE A 41 1.545 -10.577 -6.040 1.00 0.00 C ATOM 649 CE1 PHE A 41 2.196 -11.966 -3.747 0.46 0.00 C ATOM 650 CE2 PHE A 41 0.681 -11.537 -5.547 0.10 0.00 C ATOM 651 CZ PHE A 41 1.007 -12.231 -4.398 0.06 0.00 C ATOM 0 H PHE A 41 1.976 -7.453 -5.273 1.00 0.00 H new ATOM 0 HA PHE A 41 4.449 -8.497 -4.082 0.42 0.00 H new ATOM 0 HB2 PHE A 41 3.265 -8.854 -6.861 0.90 0.00 H new ATOM 0 HB3 PHE A 41 4.627 -9.732 -6.192 0.90 0.00 H new ATOM 0 HD1 PHE A 41 3.983 -10.800 -3.729 0.80 0.00 H new ATOM 0 HD2 PHE A 41 1.285 -10.036 -6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.454 -12.510 -2.850 0.46 0.00 H new ATOM 0 HE2 PHE A 41 -0.247 -11.744 -6.059 0.10 0.00 H new ATOM 0 HZ PHE A 41 0.333 -12.980 -4.009 0.06 0.00 H new ATOM 661 N GLY A 42 6.117 -7.065 -5.229 0.05 0.00 N ATOM 662 CA GLY A 42 7.063 -6.117 -5.790 0.06 0.00 C ATOM 663 C GLY A 42 7.230 -6.281 -7.292 0.06 0.00 C ATOM 664 O GLY A 42 7.139 -7.397 -7.805 0.07 0.00 O ATOM 0 H GLY A 42 6.508 -7.700 -4.533 0.05 0.00 H new ATOM 0 HA2 GLY A 42 6.728 -5.103 -5.574 0.06 0.00 H new ATOM 0 HA3 GLY A 42 8.031 -6.243 -5.304 0.06 0.00 H new ATOM 668 N PRO A 43 7.476 -5.181 -8.030 0.06 0.00 N ATOM 669 CA PRO A 43 7.656 -5.232 -9.484 0.07 0.00 C ATOM 670 C PRO A 43 8.993 -5.852 -9.875 1.00 0.00 C ATOM 671 O PRO A 43 9.805 -6.192 -9.015 1.00 0.00 O ATOM 672 CB PRO A 43 7.603 -3.763 -9.901 0.08 0.00 C ATOM 673 CG PRO A 43 8.063 -3.012 -8.699 0.17 0.00 C ATOM 674 CD PRO A 43 7.597 -3.804 -7.507 1.00 0.00 C ATOM 0 HA PRO A 43 6.901 -5.851 -9.969 0.07 0.00 H new ATOM 0 HB2 PRO A 43 8.248 -3.571 -10.759 0.08 0.00 H new ATOM 0 HB3 PRO A 43 6.594 -3.469 -10.189 0.08 0.00 H new ATOM 0 HG2 PRO A 43 9.148 -2.907 -8.697 0.17 0.00 H new ATOM 0 HG3 PRO A 43 7.645 -2.005 -8.685 0.17 0.00 H new ATOM 0 HD2 PRO A 43 8.311 -3.749 -6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.644 -3.434 -7.127 1.00 0.00 H new ATOM 682 N GLU A 44 9.218 -5.996 -11.176 0.05 0.00 N ATOM 683 CA GLU A 44 10.461 -6.576 -11.676 1.00 0.00 C ATOM 684 C GLU A 44 11.564 -5.526 -11.740 1.00 0.00 C ATOM 685 O GLU A 44 11.310 -4.331 -11.579 0.11 0.00 O ATOM 686 CB GLU A 44 10.244 -7.188 -13.061 0.15 0.00 C ATOM 687 CG GLU A 44 9.813 -6.177 -14.113 0.74 0.00 C ATOM 688 CD GLU A 44 9.456 -6.826 -15.435 1.00 0.00 C ATOM 689 OE1 GLU A 44 8.303 -7.282 -15.581 0.06 0.00 O ATOM 690 OE2 GLU A 44 10.332 -6.879 -16.325 0.08 0.00 O ATOM 0 H GLU A 44 8.558 -5.720 -11.903 0.05 0.00 H new ATOM 0 HA GLU A 44 10.769 -7.360 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.168 -7.667 -13.386 0.15 0.00 H new ATOM 0 HB3 GLU A 44 9.488 -7.970 -12.989 0.15 0.00 H new ATOM 0 HG2 GLU A 44 8.953 -5.618 -13.743 0.74 0.00 H new ATOM 0 HG3 GLU A 44 10.617 -5.458 -14.271 0.74 0.00 H new ATOM 697 N GLY A 45 12.789 -5.981 -11.977 0.07 0.00 N ATOM 698 CA GLY A 45 13.919 -5.075 -12.059 0.27 0.00 C ATOM 699 C GLY A 45 14.165 -4.325 -10.764 0.12 0.00 C ATOM 700 O GLY A 45 14.798 -3.269 -10.762 1.00 0.00 O ATOM 0 H GLY A 45 13.020 -6.965 -12.114 0.07 0.00 H new ATOM 0 HA2 GLY A 45 14.813 -5.640 -12.322 0.27 0.00 H new ATOM 0 HA3 GLY A 45 13.747 -4.358 -12.862 0.27 0.00 H new ATOM 704 N THR A 46 13.663 -4.870 -9.658 0.16 0.00 N ATOM 705 CA THR A 46 13.833 -4.244 -8.352 1.00 0.00 C ATOM 706 C THR A 46 14.229 -5.276 -7.299 0.55 0.00 C ATOM 707 O THR A 46 13.975 -6.466 -7.469 0.36 0.00 O ATOM 708 CB THR A 46 12.542 -3.533 -7.899 0.09 0.00 C ATOM 709 OG1 THR A 46 11.471 -4.479 -7.797 1.00 0.00 O ATOM 710 CG2 THR A 46 12.160 -2.433 -8.876 0.84 0.00 C ATOM 0 H THR A 46 13.136 -5.743 -9.642 0.16 0.00 H new ATOM 0 HA THR A 46 14.629 -3.506 -8.453 1.00 0.00 H new ATOM 0 HB THR A 46 12.724 -3.084 -6.923 0.09 0.00 H new ATOM 0 HG1 THR A 46 11.256 -4.827 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.246 -1.945 -8.536 0.84 0.00 H new ATOM 0 HG22 THR A 46 12.964 -1.699 -8.930 0.84 0.00 H new ATOM 0 HG23 THR A 46 11.995 -2.864 -9.863 0.84 0.00 H new ATOM 718 N PRO A 47 14.861 -4.838 -6.193 0.34 0.00 N ATOM 719 CA PRO A 47 15.282 -5.745 -5.119 0.21 0.00 C ATOM 720 C PRO A 47 14.097 -6.349 -4.371 0.06 0.00 C ATOM 721 O PRO A 47 14.271 -7.173 -3.473 0.10 0.00 O ATOM 722 CB PRO A 47 16.101 -4.846 -4.187 0.18 0.00 C ATOM 723 CG PRO A 47 15.592 -3.471 -4.447 1.00 0.00 C ATOM 724 CD PRO A 47 15.220 -3.437 -5.902 0.19 0.00 C ATOM 0 HA PRO A 47 15.840 -6.598 -5.506 0.21 0.00 H new ATOM 0 HB2 PRO A 47 15.964 -5.128 -3.143 0.18 0.00 H new ATOM 0 HB3 PRO A 47 17.167 -4.921 -4.400 0.18 0.00 H new ATOM 0 HG2 PRO A 47 14.730 -3.248 -3.818 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.353 -2.724 -4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.386 -2.761 -6.088 0.19 0.00 H new ATOM 0 HD3 PRO A 47 16.050 -3.097 -6.522 0.19 0.00 H new ATOM 732 N PHE A 48 12.889 -5.934 -4.748 0.97 0.00 N ATOM 733 CA PHE A 48 11.673 -6.435 -4.114 0.48 0.00 C ATOM 734 C PHE A 48 10.992 -7.481 -4.993 1.00 0.00 C ATOM 735 O PHE A 48 10.033 -8.127 -4.574 0.19 0.00 O ATOM 736 CB PHE A 48 10.696 -5.286 -3.848 1.00 0.00 C ATOM 737 CG PHE A 48 11.328 -4.083 -3.209 0.06 0.00 C ATOM 738 CD1 PHE A 48 11.434 -3.986 -1.830 1.00 0.00 C ATOM 739 CD2 PHE A 48 11.807 -3.042 -3.989 0.05 0.00 C ATOM 740 CE1 PHE A 48 12.007 -2.873 -1.243 0.69 0.00 C ATOM 741 CE2 PHE A 48 12.382 -1.929 -3.408 0.93 0.00 C ATOM 742 CZ PHE A 48 12.483 -1.844 -2.033 1.00 0.00 C ATOM 0 H PHE A 48 12.727 -5.252 -5.489 0.97 0.00 H new ATOM 0 HA PHE A 48 11.957 -6.897 -3.168 0.48 0.00 H new ATOM 0 HB2 PHE A 48 10.239 -4.986 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.893 -5.647 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.065 -4.788 -1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.730 -3.102 -5.065 0.05 0.00 H new ATOM 0 HE1 PHE A 48 12.083 -2.808 -0.168 0.69 0.00 H new ATOM 0 HE2 PHE A 48 12.752 -1.126 -4.028 0.93 0.00 H new ATOM 0 HZ PHE A 48 12.933 -0.975 -1.576 1.00 0.00 H new ATOM 752 N GLU A 49 11.495 -7.642 -6.212 0.26 0.00 N ATOM 753 CA GLU A 49 10.928 -8.599 -7.158 0.06 0.00 C ATOM 754 C GLU A 49 10.956 -10.020 -6.599 0.76 0.00 C ATOM 755 O GLU A 49 10.049 -10.812 -6.852 0.11 0.00 O ATOM 756 CB GLU A 49 11.688 -8.542 -8.488 0.66 0.00 C ATOM 757 CG GLU A 49 13.078 -9.156 -8.432 1.00 0.00 C ATOM 758 CD GLU A 49 13.817 -9.042 -9.749 0.85 0.00 C ATOM 759 OE1 GLU A 49 13.687 -9.961 -10.585 1.00 0.00 O ATOM 760 OE2 GLU A 49 14.526 -8.032 -9.946 1.00 0.00 O ATOM 0 H GLU A 49 12.296 -7.121 -6.570 0.26 0.00 H new ATOM 0 HA GLU A 49 9.887 -8.325 -7.327 0.06 0.00 H new ATOM 0 HB2 GLU A 49 11.104 -9.058 -9.251 0.66 0.00 H new ATOM 0 HB3 GLU A 49 11.774 -7.502 -8.802 0.66 0.00 H new ATOM 0 HG2 GLU A 49 13.657 -8.664 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.996 -10.207 -8.155 1.00 0.00 H new ATOM 767 N ASP A 50 11.999 -10.337 -5.838 0.44 0.00 N ATOM 768 CA ASP A 50 12.146 -11.665 -5.251 0.08 0.00 C ATOM 769 C ASP A 50 11.388 -11.779 -3.932 0.09 0.00 C ATOM 770 O ASP A 50 11.109 -12.881 -3.460 0.10 0.00 O ATOM 771 CB ASP A 50 13.623 -11.988 -5.032 0.14 0.00 C ATOM 772 CG ASP A 50 14.411 -12.008 -6.326 0.82 0.00 C ATOM 773 OD1 ASP A 50 14.445 -13.071 -6.984 1.00 0.00 O ATOM 774 OD2 ASP A 50 14.993 -10.963 -6.684 1.00 0.00 O ATOM 0 H ASP A 50 12.756 -9.691 -5.613 0.44 0.00 H new ATOM 0 HA ASP A 50 11.720 -12.385 -5.950 0.08 0.00 H new ATOM 0 HB2 ASP A 50 14.057 -11.250 -4.358 0.14 0.00 H new ATOM 0 HB3 ASP A 50 13.711 -12.958 -4.542 0.14 0.00 H new ATOM 779 N GLY A 51 11.058 -10.636 -3.338 1.00 0.00 N ATOM 780 CA GLY A 51 10.344 -10.640 -2.073 0.67 0.00 C ATOM 781 C GLY A 51 8.890 -10.233 -2.216 0.14 0.00 C ATOM 782 O GLY A 51 8.450 -9.836 -3.294 0.09 0.00 O ATOM 0 H GLY A 51 11.271 -9.710 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.396 -11.637 -1.635 0.67 0.00 H new ATOM 0 HA3 GLY A 51 10.840 -9.961 -1.379 0.67 0.00 H new ATOM 786 N THR A 52 8.143 -10.339 -1.120 0.12 0.00 N ATOM 787 CA THR A 52 6.731 -9.978 -1.111 0.16 0.00 C ATOM 788 C THR A 52 6.391 -9.160 0.129 1.00 0.00 C ATOM 789 O THR A 52 7.067 -9.262 1.154 0.05 0.00 O ATOM 790 CB THR A 52 5.826 -11.225 -1.154 1.00 0.00 C ATOM 791 OG1 THR A 52 6.032 -12.021 0.019 0.38 0.00 O ATOM 792 CG2 THR A 52 6.112 -12.059 -2.394 0.84 0.00 C ATOM 0 H THR A 52 8.496 -10.674 -0.223 0.12 0.00 H new ATOM 0 HA THR A 52 6.549 -9.382 -2.005 0.16 0.00 H new ATOM 0 HB THR A 52 4.789 -10.892 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.452 -12.810 -0.015 0.38 0.00 H new ATOM 0 HG21 THR A 52 5.461 -12.933 -2.402 0.84 0.00 H new ATOM 0 HG22 THR A 52 5.927 -11.460 -3.286 0.84 0.00 H new ATOM 0 HG23 THR A 52 7.153 -12.382 -2.383 0.84 0.00 H new ATOM 800 N PHE A 53 5.342 -8.350 0.034 1.00 0.00 N ATOM 801 CA PHE A 53 4.921 -7.513 1.154 0.57 0.00 C ATOM 802 C PHE A 53 3.406 -7.544 1.332 1.00 0.00 C ATOM 803 O PHE A 53 2.654 -7.518 0.358 0.09 0.00 O ATOM 804 CB PHE A 53 5.389 -6.071 0.943 0.61 0.00 C ATOM 805 CG PHE A 53 6.864 -5.874 1.163 0.47 0.00 C ATOM 806 CD1 PHE A 53 7.772 -6.142 0.152 0.20 0.00 C ATOM 807 CD2 PHE A 53 7.339 -5.420 2.384 0.06 0.00 C ATOM 808 CE1 PHE A 53 9.128 -5.962 0.354 0.08 0.00 C ATOM 809 CE2 PHE A 53 8.694 -5.238 2.591 0.72 0.00 C ATOM 810 CZ PHE A 53 9.589 -5.507 1.575 0.71 0.00 C ATOM 0 H PHE A 53 4.768 -8.255 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 53 5.379 -7.913 2.059 0.57 0.00 H new ATOM 0 HB2 PHE A 53 5.138 -5.762 -0.072 0.61 0.00 H new ATOM 0 HB3 PHE A 53 4.839 -5.418 1.620 0.61 0.00 H new ATOM 0 HD1 PHE A 53 7.417 -6.495 -0.805 0.20 0.00 H new ATOM 0 HD2 PHE A 53 6.643 -5.206 3.182 0.06 0.00 H new ATOM 0 HE1 PHE A 53 9.826 -6.177 -0.441 0.08 0.00 H new ATOM 0 HE2 PHE A 53 9.052 -4.886 3.547 0.72 0.00 H new ATOM 0 HZ PHE A 53 10.647 -5.362 1.734 0.71 0.00 H new ATOM 820 N LYS A 54 2.969 -7.598 2.587 1.00 0.00 N ATOM 821 CA LYS A 54 1.545 -7.623 2.906 0.41 0.00 C ATOM 822 C LYS A 54 1.149 -6.367 3.677 1.00 0.00 C ATOM 823 O LYS A 54 1.875 -5.918 4.563 0.22 0.00 O ATOM 824 CB LYS A 54 1.204 -8.868 3.727 1.00 0.00 C ATOM 825 CG LYS A 54 1.453 -10.172 2.989 0.32 0.00 C ATOM 826 CD LYS A 54 1.023 -11.372 3.817 0.35 0.00 C ATOM 827 CE LYS A 54 1.243 -12.676 3.067 0.50 0.00 C ATOM 828 NZ LYS A 54 2.681 -12.901 2.750 0.45 0.00 N ATOM 0 H LYS A 54 3.582 -7.625 3.401 1.00 0.00 H new ATOM 0 HA LYS A 54 0.985 -7.653 1.971 0.41 0.00 H new ATOM 0 HB2 LYS A 54 1.794 -8.861 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.156 -8.822 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.909 -10.166 2.045 0.32 0.00 H new ATOM 0 HG3 LYS A 54 2.512 -10.257 2.746 0.32 0.00 H new ATOM 0 HD2 LYS A 54 1.584 -11.390 4.752 0.35 0.00 H new ATOM 0 HD3 LYS A 54 -0.031 -11.275 4.079 0.35 0.00 H new ATOM 0 HE2 LYS A 54 0.870 -13.506 3.666 0.50 0.00 H new ATOM 0 HE3 LYS A 54 0.665 -12.665 2.143 0.50 0.00 H new ATOM 0 HZ1 LYS A 54 2.816 -13.880 2.426 0.45 0.00 H new ATOM 0 HZ2 LYS A 54 2.978 -12.244 2.001 0.45 0.00 H new ATOM 0 HZ3 LYS A 54 3.254 -12.737 3.602 0.45 0.00 H new ATOM 842 N LEU A 55 -0.005 -5.805 3.333 0.19 0.00 N ATOM 843 CA LEU A 55 -0.490 -4.599 3.994 1.00 0.00 C ATOM 844 C LEU A 55 -1.991 -4.677 4.261 1.00 0.00 C ATOM 845 O LEU A 55 -2.691 -5.515 3.691 0.07 0.00 O ATOM 846 CB LEU A 55 -0.163 -3.344 3.163 0.09 0.00 C ATOM 847 CG LEU A 55 -0.306 -3.464 1.634 1.00 0.00 C ATOM 848 CD1 LEU A 55 0.849 -4.257 1.040 0.50 0.00 C ATOM 849 CD2 LEU A 55 -1.636 -4.096 1.248 0.44 0.00 C ATOM 0 H LEU A 55 -0.620 -6.164 2.603 0.19 0.00 H new ATOM 0 HA LEU A 55 0.024 -4.525 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.810 -2.535 3.502 0.09 0.00 H new ATOM 0 HB3 LEU A 55 0.862 -3.047 3.386 0.09 0.00 H new ATOM 0 HG LEU A 55 -0.280 -2.454 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.724 -4.327 -0.041 0.50 0.00 H new ATOM 0 HD12 LEU A 55 1.789 -3.754 1.265 0.50 0.00 H new ATOM 0 HD13 LEU A 55 0.862 -5.259 1.470 0.50 0.00 H new ATOM 0 HD21 LEU A 55 -1.704 -4.166 0.162 0.44 0.00 H new ATOM 0 HD22 LEU A 55 -1.704 -5.094 1.681 0.44 0.00 H new ATOM 0 HD23 LEU A 55 -2.454 -3.481 1.624 0.44 0.00 H new ATOM 861 N VAL A 56 -2.477 -3.802 5.135 0.23 0.00 N ATOM 862 CA VAL A 56 -3.892 -3.765 5.475 1.00 0.00 C ATOM 863 C VAL A 56 -4.496 -2.404 5.149 0.49 0.00 C ATOM 864 O VAL A 56 -3.902 -1.364 5.436 0.63 0.00 O ATOM 865 CB VAL A 56 -4.124 -4.083 6.967 0.18 0.00 C ATOM 866 CG1 VAL A 56 -3.338 -3.125 7.851 0.55 0.00 C ATOM 867 CG2 VAL A 56 -5.607 -4.036 7.304 1.00 0.00 C ATOM 0 H VAL A 56 -1.909 -3.108 5.621 0.23 0.00 H new ATOM 0 HA VAL A 56 -4.384 -4.530 4.874 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.765 -5.094 7.159 0.18 0.00 H new ATOM 0 HG11 VAL A 56 -3.516 -3.367 8.899 0.55 0.00 H new ATOM 0 HG12 VAL A 56 -2.274 -3.218 7.633 0.55 0.00 H new ATOM 0 HG13 VAL A 56 -3.660 -2.102 7.655 0.55 0.00 H new ATOM 0 HG21 VAL A 56 -5.747 -4.263 8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.997 -3.040 7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.141 -4.771 6.701 1.00 0.00 H new ATOM 877 N ILE A 57 -5.682 -2.416 4.549 0.35 0.00 N ATOM 878 CA ILE A 57 -6.364 -1.181 4.180 0.21 0.00 C ATOM 879 C ILE A 57 -7.566 -0.930 5.083 0.07 0.00 C ATOM 880 O ILE A 57 -8.556 -1.662 5.037 0.26 0.00 O ATOM 881 CB ILE A 57 -6.834 -1.205 2.711 0.14 0.00 C ATOM 882 CG1 ILE A 57 -5.648 -1.429 1.768 0.75 0.00 C ATOM 883 CG2 ILE A 57 -7.552 0.090 2.361 0.08 0.00 C ATOM 884 CD1 ILE A 57 -5.215 -2.876 1.664 1.00 0.00 C ATOM 0 H ILE A 57 -6.190 -3.267 4.308 0.35 0.00 H new ATOM 0 HA ILE A 57 -5.641 -0.375 4.303 0.21 0.00 H new ATOM 0 HB ILE A 57 -7.532 -2.033 2.588 0.14 0.00 H new ATOM 0 HG12 ILE A 57 -5.912 -1.066 0.775 0.75 0.00 H new ATOM 0 HG13 ILE A 57 -4.804 -0.831 2.112 0.75 0.00 H new ATOM 0 HG21 ILE A 57 -7.877 0.056 1.321 0.08 0.00 H new ATOM 0 HG22 ILE A 57 -8.420 0.211 3.009 0.08 0.00 H new ATOM 0 HG23 ILE A 57 -6.874 0.932 2.502 0.08 0.00 H new ATOM 0 HD11 ILE A 57 -4.371 -2.955 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.918 -3.239 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.043 -3.478 1.290 1.00 0.00 H new ATOM 896 N GLU A 58 -7.471 0.111 5.901 1.00 0.00 N ATOM 897 CA GLU A 58 -8.546 0.468 6.821 0.06 0.00 C ATOM 898 C GLU A 58 -9.498 1.479 6.187 0.05 0.00 C ATOM 899 O GLU A 58 -9.076 2.545 5.737 0.37 0.00 O ATOM 900 CB GLU A 58 -7.964 1.040 8.115 0.10 0.00 C ATOM 901 CG GLU A 58 -9.020 1.453 9.128 0.42 0.00 C ATOM 902 CD GLU A 58 -8.419 2.039 10.393 0.49 0.00 C ATOM 903 OE1 GLU A 58 -8.199 3.268 10.430 0.10 0.00 O ATOM 904 OE2 GLU A 58 -8.168 1.269 11.343 1.00 0.00 O ATOM 0 H GLU A 58 -6.658 0.725 5.947 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.110 -0.436 7.049 0.06 0.00 H new ATOM 0 HB2 GLU A 58 -7.309 0.296 8.569 0.10 0.00 H new ATOM 0 HB3 GLU A 58 -7.346 1.905 7.874 0.10 0.00 H new ATOM 0 HG2 GLU A 58 -9.687 2.186 8.674 0.42 0.00 H new ATOM 0 HG3 GLU A 58 -9.628 0.586 9.387 0.42 0.00 H new ATOM 911 N PHE A 59 -10.783 1.136 6.155 0.73 0.00 N ATOM 912 CA PHE A 59 -11.799 2.017 5.584 0.21 0.00 C ATOM 913 C PHE A 59 -12.629 2.668 6.685 0.09 0.00 C ATOM 914 O PHE A 59 -12.853 2.074 7.740 0.33 0.00 O ATOM 915 CB PHE A 59 -12.724 1.238 4.646 0.18 0.00 C ATOM 916 CG PHE A 59 -12.027 0.639 3.458 0.06 0.00 C ATOM 917 CD1 PHE A 59 -11.826 1.385 2.307 0.35 0.00 C ATOM 918 CD2 PHE A 59 -11.582 -0.672 3.491 1.00 0.00 C ATOM 919 CE1 PHE A 59 -11.192 0.833 1.211 0.06 0.00 C ATOM 920 CE2 PHE A 59 -10.946 -1.228 2.397 0.07 0.00 C ATOM 921 CZ PHE A 59 -10.752 -0.474 1.256 1.00 0.00 C ATOM 0 H PHE A 59 -11.146 0.254 6.518 0.73 0.00 H new ATOM 0 HA PHE A 59 -11.285 2.793 5.017 0.21 0.00 H new ATOM 0 HB2 PHE A 59 -13.208 0.441 5.210 0.18 0.00 H new ATOM 0 HB3 PHE A 59 -13.512 1.904 4.294 0.18 0.00 H new ATOM 0 HD1 PHE A 59 -12.169 2.408 2.267 0.35 0.00 H new ATOM 0 HD2 PHE A 59 -11.733 -1.266 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.041 1.424 0.320 0.06 0.00 H new ATOM 0 HE2 PHE A 59 -10.601 -2.251 2.434 0.07 0.00 H new ATOM 0 HZ PHE A 59 -10.256 -0.907 0.400 1.00 0.00 H new ATOM 931 N SER A 60 -13.088 3.890 6.433 0.40 0.00 N ATOM 932 CA SER A 60 -13.904 4.615 7.396 0.09 0.00 C ATOM 933 C SER A 60 -15.173 5.131 6.730 1.00 0.00 C ATOM 934 O SER A 60 -15.151 5.508 5.559 1.00 0.00 O ATOM 935 CB SER A 60 -13.115 5.780 7.997 1.00 0.00 C ATOM 936 OG SER A 60 -12.664 6.665 6.987 0.16 0.00 O ATOM 0 H SER A 60 -12.907 4.398 5.567 0.40 0.00 H new ATOM 0 HA SER A 60 -14.180 3.931 8.198 0.09 0.00 H new ATOM 0 HB2 SER A 60 -13.742 6.321 8.705 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.262 5.396 8.556 1.00 0.00 H new ATOM 0 HG SER A 60 -12.164 7.402 7.397 0.16 0.00 H new ATOM 942 N GLU A 61 -16.275 5.135 7.475 1.00 0.00 N ATOM 943 CA GLU A 61 -17.549 5.608 6.944 0.22 0.00 C ATOM 944 C GLU A 61 -17.389 6.985 6.302 0.22 0.00 C ATOM 945 O GLU A 61 -17.138 7.085 5.101 1.00 0.00 O ATOM 946 CB GLU A 61 -18.613 5.646 8.046 0.78 0.00 C ATOM 947 CG GLU A 61 -18.074 6.055 9.410 0.64 0.00 C ATOM 948 CD GLU A 61 -19.156 6.111 10.471 0.17 0.00 C ATOM 949 OE1 GLU A 61 -19.403 5.075 11.124 0.54 0.00 O ATOM 950 OE2 GLU A 61 -19.759 7.191 10.648 0.13 0.00 O ATOM 0 H GLU A 61 -16.311 4.818 8.444 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.878 4.909 6.175 0.22 0.00 H new ATOM 0 HB2 GLU A 61 -19.400 6.341 7.754 0.78 0.00 H new ATOM 0 HB3 GLU A 61 -19.072 4.661 8.128 0.78 0.00 H new ATOM 0 HG2 GLU A 61 -17.303 5.349 9.719 0.64 0.00 H new ATOM 0 HG3 GLU A 61 -17.597 7.032 9.330 0.64 0.00 H new ATOM 957 N GLU A 62 -17.525 8.036 7.107 0.40 0.00 N ATOM 958 CA GLU A 62 -17.380 9.404 6.618 0.71 0.00 C ATOM 959 C GLU A 62 -18.122 9.607 5.296 0.28 0.00 C ATOM 960 O GLU A 62 -19.335 9.815 5.282 0.52 0.00 O ATOM 961 CB GLU A 62 -15.895 9.742 6.455 0.09 0.00 C ATOM 962 CG GLU A 62 -15.152 9.869 7.774 0.46 0.00 C ATOM 963 CD GLU A 62 -15.673 11.007 8.628 1.00 0.00 C ATOM 964 OE1 GLU A 62 -16.606 10.774 9.425 1.00 0.00 O ATOM 965 OE2 GLU A 62 -15.144 12.132 8.503 1.00 0.00 O ATOM 0 H GLU A 62 -17.736 7.966 8.103 0.40 0.00 H new ATOM 0 HA GLU A 62 -17.824 10.077 7.351 0.71 0.00 H new ATOM 0 HB2 GLU A 62 -15.419 8.969 5.852 0.09 0.00 H new ATOM 0 HB3 GLU A 62 -15.802 10.678 5.904 0.09 0.00 H new ATOM 0 HG2 GLU A 62 -15.240 8.934 8.328 0.46 0.00 H new ATOM 0 HG3 GLU A 62 -14.091 10.024 7.576 0.46 0.00 H new ATOM 972 N TYR A 63 -17.384 9.542 4.189 0.07 0.00 N ATOM 973 CA TYR A 63 -17.967 9.710 2.864 0.11 0.00 C ATOM 974 C TYR A 63 -17.227 8.851 1.840 0.07 0.00 C ATOM 975 O TYR A 63 -16.022 8.632 1.965 0.12 0.00 O ATOM 976 CB TYR A 63 -17.925 11.183 2.443 0.64 0.00 C ATOM 977 CG TYR A 63 -18.820 12.078 3.271 0.05 0.00 C ATOM 978 CD1 TYR A 63 -20.183 12.161 3.009 0.18 0.00 C ATOM 979 CD2 TYR A 63 -18.306 12.835 4.315 0.96 0.00 C ATOM 980 CE1 TYR A 63 -21.006 12.974 3.764 0.66 0.00 C ATOM 981 CE2 TYR A 63 -19.123 13.649 5.075 1.00 0.00 C ATOM 982 CZ TYR A 63 -20.472 13.715 4.795 0.26 0.00 C ATOM 983 OH TYR A 63 -21.289 14.525 5.552 0.95 0.00 O ATOM 0 H TYR A 63 -16.378 9.374 4.186 0.07 0.00 H new ATOM 0 HA TYR A 63 -19.007 9.387 2.905 0.11 0.00 H new ATOM 0 HB2 TYR A 63 -16.899 11.543 2.515 0.64 0.00 H new ATOM 0 HB3 TYR A 63 -18.217 11.261 1.396 0.64 0.00 H new ATOM 0 HD1 TYR A 63 -20.605 11.580 2.202 0.18 0.00 H new ATOM 0 HD2 TYR A 63 -17.250 12.787 4.537 0.96 0.00 H new ATOM 0 HE1 TYR A 63 -22.063 13.028 3.547 0.66 0.00 H new ATOM 0 HE2 TYR A 63 -18.708 14.231 5.884 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.756 14.978 6.238 0.95 0.00 H new ATOM 993 N PRO A 64 -17.938 8.344 0.814 1.00 0.00 N ATOM 994 CA PRO A 64 -17.335 7.500 -0.226 0.08 0.00 C ATOM 995 C PRO A 64 -16.256 8.233 -1.019 0.16 0.00 C ATOM 996 O PRO A 64 -15.513 7.618 -1.786 0.66 0.00 O ATOM 997 CB PRO A 64 -18.515 7.142 -1.138 1.00 0.00 C ATOM 998 CG PRO A 64 -19.733 7.404 -0.321 0.37 0.00 C ATOM 999 CD PRO A 64 -19.379 8.544 0.587 1.00 0.00 C ATOM 0 HA PRO A 64 -16.835 6.632 0.203 0.08 0.00 H new ATOM 0 HB2 PRO A 64 -18.511 7.748 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.468 6.099 -1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -20.582 7.659 -0.955 0.37 0.00 H new ATOM 0 HG3 PRO A 64 -20.017 6.521 0.252 0.37 0.00 H new ATOM 0 HD2 PRO A 64 -19.586 9.509 0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -19.944 8.510 1.519 1.00 0.00 H new ATOM 1007 N ASN A 65 -16.177 9.547 -0.834 0.18 0.00 N ATOM 1008 CA ASN A 65 -15.190 10.358 -1.538 0.12 0.00 C ATOM 1009 C ASN A 65 -13.971 10.631 -0.659 0.12 0.00 C ATOM 1010 O ASN A 65 -12.920 11.043 -1.151 0.39 0.00 O ATOM 1011 CB ASN A 65 -15.811 11.681 -1.991 0.27 0.00 C ATOM 1012 CG ASN A 65 -16.983 11.480 -2.935 0.18 0.00 C ATOM 1013 OD1 ASN A 65 -16.947 10.399 -3.707 1.00 0.00 O flip ATOM 1014 ND2 ASN A 65 -17.911 12.288 -2.969 0.07 0.00 N flip ATOM 0 H ASN A 65 -16.783 10.072 -0.204 0.18 0.00 H new ATOM 0 HA ASN A 65 -14.863 9.798 -2.414 0.12 0.00 H new ATOM 0 HB2 ASN A 65 -16.144 12.240 -1.117 0.27 0.00 H new ATOM 0 HB3 ASN A 65 -15.050 12.285 -2.485 0.27 0.00 H new ATOM 0 HD21 ASN A 65 -17.898 13.105 -2.359 0.07 0.00 H new ATOM 0 HD22 ASN A 65 -18.693 12.140 -3.608 0.07 0.00 H new ATOM 1021 N LYS A 66 -14.119 10.402 0.642 0.15 0.00 N ATOM 1022 CA LYS A 66 -13.027 10.622 1.588 0.07 0.00 C ATOM 1023 C LYS A 66 -11.899 9.616 1.364 0.34 0.00 C ATOM 1024 O LYS A 66 -12.147 8.480 0.959 0.07 0.00 O ATOM 1025 CB LYS A 66 -13.543 10.525 3.024 1.00 0.00 C ATOM 1026 CG LYS A 66 -14.398 11.708 3.446 0.44 0.00 C ATOM 1027 CD LYS A 66 -13.556 12.957 3.657 0.27 0.00 C ATOM 1028 CE LYS A 66 -14.422 14.174 3.942 0.06 0.00 C ATOM 1029 NZ LYS A 66 -15.249 14.554 2.763 0.15 0.00 N ATOM 0 H LYS A 66 -14.983 10.064 1.066 0.15 0.00 H new ATOM 0 HA LYS A 66 -12.629 11.623 1.421 0.07 0.00 H new ATOM 0 HB2 LYS A 66 -14.126 9.610 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.693 10.442 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.154 11.902 2.685 0.44 0.00 H new ATOM 0 HG3 LYS A 66 -14.928 11.465 4.367 0.44 0.00 H new ATOM 0 HD2 LYS A 66 -12.868 12.797 4.487 0.27 0.00 H new ATOM 0 HD3 LYS A 66 -12.949 13.141 2.771 0.27 0.00 H new ATOM 0 HE2 LYS A 66 -15.073 13.966 4.791 0.06 0.00 H new ATOM 0 HE3 LYS A 66 -13.787 15.013 4.226 0.06 0.00 H new ATOM 0 HZ1 LYS A 66 -15.626 15.514 2.898 0.15 0.00 H new ATOM 0 HZ2 LYS A 66 -14.662 14.530 1.905 0.15 0.00 H new ATOM 0 HZ3 LYS A 66 -16.038 13.884 2.662 0.15 0.00 H new ATOM 1043 N PRO A 67 -10.640 10.016 1.628 0.21 0.00 N ATOM 1044 CA PRO A 67 -9.480 9.138 1.447 0.86 0.00 C ATOM 1045 C PRO A 67 -9.371 8.079 2.545 0.14 0.00 C ATOM 1046 O PRO A 67 -9.660 8.356 3.709 0.24 0.00 O ATOM 1047 CB PRO A 67 -8.295 10.101 1.519 0.39 0.00 C ATOM 1048 CG PRO A 67 -8.769 11.224 2.375 0.06 0.00 C ATOM 1049 CD PRO A 67 -10.248 11.354 2.122 0.43 0.00 C ATOM 0 HA PRO A 67 -9.538 8.575 0.515 0.86 0.00 H new ATOM 0 HB2 PRO A 67 -7.418 9.618 1.950 0.39 0.00 H new ATOM 0 HB3 PRO A 67 -8.010 10.452 0.527 0.39 0.00 H new ATOM 0 HG2 PRO A 67 -8.571 11.021 3.427 0.06 0.00 H new ATOM 0 HG3 PRO A 67 -8.249 12.149 2.126 0.06 0.00 H new ATOM 0 HD2 PRO A 67 -10.788 11.619 3.031 0.43 0.00 H new ATOM 0 HD3 PRO A 67 -10.462 12.130 1.387 0.43 0.00 H new ATOM 1057 N PRO A 68 -8.952 6.848 2.190 1.00 0.00 N ATOM 1058 CA PRO A 68 -8.808 5.756 3.153 0.18 0.00 C ATOM 1059 C PRO A 68 -7.477 5.807 3.897 0.12 0.00 C ATOM 1060 O PRO A 68 -6.600 6.606 3.572 0.07 0.00 O ATOM 1061 CB PRO A 68 -8.876 4.518 2.265 0.05 0.00 C ATOM 1062 CG PRO A 68 -8.270 4.952 0.975 1.00 0.00 C ATOM 1063 CD PRO A 68 -8.597 6.417 0.821 0.15 0.00 C ATOM 0 HA PRO A 68 -9.566 5.789 3.935 0.18 0.00 H new ATOM 0 HB2 PRO A 68 -8.325 3.685 2.702 0.05 0.00 H new ATOM 0 HB3 PRO A 68 -9.904 4.183 2.128 0.05 0.00 H new ATOM 0 HG2 PRO A 68 -7.192 4.793 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.673 4.375 0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.746 6.978 0.434 0.15 0.00 H new ATOM 0 HD3 PRO A 68 -9.423 6.571 0.127 0.15 0.00 H new ATOM 1071 N THR A 69 -7.336 4.943 4.900 0.68 0.00 N ATOM 1072 CA THR A 69 -6.114 4.877 5.695 0.35 0.00 C ATOM 1073 C THR A 69 -5.453 3.508 5.557 0.27 0.00 C ATOM 1074 O THR A 69 -5.994 2.503 6.014 1.00 0.00 O ATOM 1075 CB THR A 69 -6.400 5.150 7.185 0.15 0.00 C ATOM 1076 OG1 THR A 69 -7.051 6.416 7.336 0.05 0.00 O ATOM 1077 CG2 THR A 69 -5.113 5.137 7.997 0.73 0.00 C ATOM 0 H THR A 69 -8.056 4.277 5.181 0.68 0.00 H new ATOM 0 HA THR A 69 -5.441 5.647 5.317 0.35 0.00 H new ATOM 0 HB THR A 69 -7.052 4.359 7.556 0.15 0.00 H new ATOM 0 HG1 THR A 69 -7.230 6.580 8.285 0.05 0.00 H new ATOM 0 HG21 THR A 69 -5.342 5.332 9.045 0.73 0.00 H new ATOM 0 HG22 THR A 69 -4.635 4.162 7.905 0.73 0.00 H new ATOM 0 HG23 THR A 69 -4.439 5.908 7.623 0.73 0.00 H new ATOM 1085 N VAL A 70 -4.281 3.477 4.928 0.13 0.00 N ATOM 1086 CA VAL A 70 -3.557 2.226 4.730 0.79 0.00 C ATOM 1087 C VAL A 70 -2.183 2.266 5.392 0.99 0.00 C ATOM 1088 O VAL A 70 -1.560 3.324 5.492 0.29 0.00 O ATOM 1089 CB VAL A 70 -3.387 1.911 3.229 0.11 0.00 C ATOM 1090 CG1 VAL A 70 -2.580 3.000 2.540 0.06 0.00 C ATOM 1091 CG2 VAL A 70 -2.737 0.549 3.034 0.30 0.00 C ATOM 0 H VAL A 70 -3.814 4.301 4.548 0.13 0.00 H new ATOM 0 HA VAL A 70 -4.152 1.440 5.196 0.79 0.00 H new ATOM 0 HB VAL A 70 -4.376 1.881 2.772 0.11 0.00 H new ATOM 0 HG11 VAL A 70 -2.472 2.759 1.483 0.06 0.00 H new ATOM 0 HG12 VAL A 70 -3.095 3.955 2.643 0.06 0.00 H new ATOM 0 HG13 VAL A 70 -1.594 3.068 2.999 0.06 0.00 H new ATOM 0 HG21 VAL A 70 -2.627 0.348 1.968 0.30 0.00 H new ATOM 0 HG22 VAL A 70 -1.755 0.543 3.508 0.30 0.00 H new ATOM 0 HG23 VAL A 70 -3.363 -0.221 3.486 0.30 0.00 H new ATOM 1101 N ARG A 71 -1.718 1.105 5.848 1.00 0.00 N ATOM 1102 CA ARG A 71 -0.419 0.999 6.501 1.00 0.00 C ATOM 1103 C ARG A 71 0.102 -0.435 6.449 0.10 0.00 C ATOM 1104 O ARG A 71 -0.671 -1.390 6.541 0.91 0.00 O ATOM 1105 CB ARG A 71 -0.515 1.469 7.955 0.70 0.00 C ATOM 1106 CG ARG A 71 -1.486 0.656 8.792 0.08 0.00 C ATOM 1107 CD ARG A 71 -1.529 1.146 10.230 0.22 0.00 C ATOM 1108 NE ARG A 71 -2.439 0.350 11.051 0.18 0.00 N ATOM 1109 CZ ARG A 71 -2.707 0.616 12.326 0.21 0.00 C ATOM 1110 NH1 ARG A 71 -2.132 1.648 12.928 0.06 0.00 N ATOM 1111 NH2 ARG A 71 -3.552 -0.153 13.000 1.00 0.00 N ATOM 0 H ARG A 71 -2.225 0.223 5.776 1.00 0.00 H new ATOM 0 HA ARG A 71 0.282 1.640 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.474 1.420 8.410 0.70 0.00 H new ATOM 0 HB3 ARG A 71 -0.822 2.515 7.971 0.70 0.00 H new ATOM 0 HG2 ARG A 71 -2.483 0.717 8.356 0.08 0.00 H new ATOM 0 HG3 ARG A 71 -1.194 -0.394 8.773 0.08 0.00 H new ATOM 0 HD2 ARG A 71 -0.527 1.107 10.657 0.22 0.00 H new ATOM 0 HD3 ARG A 71 -1.843 2.190 10.248 0.22 0.00 H new ATOM 0 HE ARG A 71 -2.894 -0.455 10.622 0.18 0.00 H new ATOM 0 HH11 ARG A 71 -1.481 2.241 12.413 0.06 0.00 H new ATOM 0 HH12 ARG A 71 -2.340 1.849 13.906 0.06 0.00 H new ATOM 0 HH21 ARG A 71 -3.996 -0.948 12.540 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.758 0.051 13.978 1.00 0.00 H new ATOM 1125 N PHE A 72 1.416 -0.579 6.301 0.09 0.00 N ATOM 1126 CA PHE A 72 2.043 -1.896 6.239 1.00 0.00 C ATOM 1127 C PHE A 72 2.012 -2.586 7.598 1.00 0.00 C ATOM 1128 O PHE A 72 2.070 -1.933 8.639 0.43 0.00 O ATOM 1129 CB PHE A 72 3.489 -1.774 5.753 1.00 0.00 C ATOM 1130 CG PHE A 72 3.615 -1.630 4.263 0.09 0.00 C ATOM 1131 CD1 PHE A 72 3.509 -0.388 3.659 0.80 0.00 C ATOM 1132 CD2 PHE A 72 3.841 -2.742 3.468 1.00 0.00 C ATOM 1133 CE1 PHE A 72 3.626 -0.258 2.288 1.00 0.00 C ATOM 1134 CE2 PHE A 72 3.959 -2.617 2.096 1.00 0.00 C ATOM 1135 CZ PHE A 72 3.851 -1.375 1.506 0.52 0.00 C ATOM 0 H PHE A 72 2.068 0.201 6.222 0.09 0.00 H new ATOM 0 HA PHE A 72 1.476 -2.502 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.953 -0.912 6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.046 -2.655 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.333 0.488 4.266 0.80 0.00 H new ATOM 0 HD2 PHE A 72 3.926 -3.717 3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.542 0.716 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.136 -3.491 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.942 -1.276 0.434 0.52 0.00 H new ATOM 1145 N LEU A 73 1.923 -3.914 7.579 1.00 0.00 N ATOM 1146 CA LEU A 73 1.889 -4.698 8.807 0.60 0.00 C ATOM 1147 C LEU A 73 3.272 -5.251 9.135 0.28 0.00 C ATOM 1148 O LEU A 73 3.716 -5.200 10.282 0.12 0.00 O ATOM 1149 CB LEU A 73 0.890 -5.849 8.679 0.59 0.00 C ATOM 1150 CG LEU A 73 -0.580 -5.432 8.610 0.08 0.00 C ATOM 1151 CD1 LEU A 73 -1.455 -6.625 8.257 1.00 0.00 C ATOM 1152 CD2 LEU A 73 -1.023 -4.820 9.930 0.22 0.00 C ATOM 0 H LEU A 73 1.873 -4.469 6.724 1.00 0.00 H new ATOM 0 HA LEU A 73 1.574 -4.041 9.617 0.60 0.00 H new ATOM 0 HB2 LEU A 73 1.131 -6.420 7.783 0.59 0.00 H new ATOM 0 HB3 LEU A 73 1.021 -6.519 9.529 0.59 0.00 H new ATOM 0 HG LEU A 73 -0.689 -4.680 7.828 0.08 0.00 H new ATOM 0 HD11 LEU A 73 -2.498 -6.311 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.154 -7.023 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.341 -7.397 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.071 -4.529 9.863 0.22 0.00 H new ATOM 0 HD22 LEU A 73 -0.900 -5.551 10.729 0.22 0.00 H new ATOM 0 HD23 LEU A 73 -0.416 -3.941 10.145 0.22 0.00 H new ATOM 1164 N SER A 74 3.945 -5.780 8.119 0.18 0.00 N ATOM 1165 CA SER A 74 5.278 -6.345 8.296 0.12 0.00 C ATOM 1166 C SER A 74 6.342 -5.254 8.254 0.35 0.00 C ATOM 1167 O SER A 74 6.124 -4.183 7.687 0.35 0.00 O ATOM 1168 CB SER A 74 5.562 -7.388 7.213 0.41 0.00 C ATOM 1169 OG SER A 74 6.862 -7.934 7.360 0.50 0.00 O ATOM 0 H SER A 74 3.589 -5.829 7.164 0.18 0.00 H new ATOM 0 HA SER A 74 5.313 -6.826 9.274 0.12 0.00 H new ATOM 0 HB2 SER A 74 4.821 -8.185 7.268 0.41 0.00 H new ATOM 0 HB3 SER A 74 5.465 -6.930 6.228 0.41 0.00 H new ATOM 0 HG SER A 74 7.336 -7.886 6.504 0.50 0.00 H new ATOM 1175 N LYS A 75 7.494 -5.534 8.858 0.09 0.00 N ATOM 1176 CA LYS A 75 8.595 -4.577 8.885 0.07 0.00 C ATOM 1177 C LYS A 75 9.012 -4.201 7.468 0.24 0.00 C ATOM 1178 O LYS A 75 9.328 -5.069 6.655 0.29 0.00 O ATOM 1179 CB LYS A 75 9.788 -5.163 9.647 1.00 0.00 C ATOM 1180 CG LYS A 75 10.958 -4.197 9.791 0.05 0.00 C ATOM 1181 CD LYS A 75 10.585 -2.973 10.615 0.08 0.00 C ATOM 1182 CE LYS A 75 10.279 -3.338 12.058 0.76 0.00 C ATOM 1183 NZ LYS A 75 9.981 -2.137 12.884 0.14 0.00 N ATOM 0 H LYS A 75 7.689 -6.415 9.334 0.09 0.00 H new ATOM 0 HA LYS A 75 8.256 -3.677 9.398 0.07 0.00 H new ATOM 0 HB2 LYS A 75 9.458 -5.471 10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.131 -6.061 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.797 -4.710 10.262 0.05 0.00 H new ATOM 0 HG3 LYS A 75 11.292 -3.881 8.803 0.05 0.00 H new ATOM 0 HD2 LYS A 75 11.403 -2.253 10.587 0.08 0.00 H new ATOM 0 HD3 LYS A 75 9.717 -2.486 10.171 0.08 0.00 H new ATOM 0 HE2 LYS A 75 9.428 -4.019 12.087 0.76 0.00 H new ATOM 0 HE3 LYS A 75 11.128 -3.871 12.485 0.76 0.00 H new ATOM 0 HZ1 LYS A 75 9.778 -2.429 13.861 0.14 0.00 H new ATOM 0 HZ2 LYS A 75 10.802 -1.499 12.877 0.14 0.00 H new ATOM 0 HZ3 LYS A 75 9.155 -1.642 12.492 0.14 0.00 H new ATOM 1197 N MET A 76 9.010 -2.904 7.180 0.10 0.00 N ATOM 1198 CA MET A 76 9.382 -2.417 5.856 1.00 0.00 C ATOM 1199 C MET A 76 10.231 -1.154 5.949 0.11 0.00 C ATOM 1200 O MET A 76 10.288 -0.505 6.994 1.00 0.00 O ATOM 1201 CB MET A 76 8.130 -2.149 5.018 1.00 0.00 C ATOM 1202 CG MET A 76 7.029 -1.412 5.769 0.28 0.00 C ATOM 1203 SD MET A 76 7.450 0.303 6.130 0.15 0.00 S ATOM 1204 CE MET A 76 5.952 0.852 6.944 0.16 0.00 C ATOM 0 H MET A 76 8.756 -2.172 7.844 0.10 0.00 H new ATOM 0 HA MET A 76 9.978 -3.190 5.370 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.410 -1.566 4.141 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.736 -3.099 4.657 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.113 -1.439 5.179 0.28 0.00 H new ATOM 0 HG3 MET A 76 6.822 -1.934 6.703 0.28 0.00 H new ATOM 0 HE1 MET A 76 6.188 1.667 7.629 0.16 0.00 H new ATOM 0 HE2 MET A 76 5.239 1.200 6.197 0.16 0.00 H new ATOM 0 HE3 MET A 76 5.517 0.023 7.503 0.16 0.00 H new ATOM 1214 N PHE A 77 10.890 -0.814 4.845 0.10 0.00 N ATOM 1215 CA PHE A 77 11.739 0.368 4.789 0.76 0.00 C ATOM 1216 C PHE A 77 11.624 1.047 3.428 0.72 0.00 C ATOM 1217 O PHE A 77 12.119 0.535 2.424 0.86 0.00 O ATOM 1218 CB PHE A 77 13.195 -0.011 5.068 0.13 0.00 C ATOM 1219 CG PHE A 77 14.126 1.165 5.130 0.65 0.00 C ATOM 1220 CD1 PHE A 77 14.097 2.033 6.209 0.11 0.00 C ATOM 1221 CD2 PHE A 77 15.032 1.401 4.108 0.23 0.00 C ATOM 1222 CE1 PHE A 77 14.955 3.116 6.267 0.12 0.00 C ATOM 1223 CE2 PHE A 77 15.892 2.481 4.161 0.19 0.00 C ATOM 1224 CZ PHE A 77 15.853 3.340 5.243 0.10 0.00 C ATOM 0 H PHE A 77 10.851 -1.344 3.974 0.10 0.00 H new ATOM 0 HA PHE A 77 11.405 1.068 5.555 0.76 0.00 H new ATOM 0 HB2 PHE A 77 13.245 -0.552 6.013 0.13 0.00 H new ATOM 0 HB3 PHE A 77 13.538 -0.694 4.291 0.13 0.00 H new ATOM 0 HD1 PHE A 77 13.397 1.862 7.013 0.11 0.00 H new ATOM 0 HD2 PHE A 77 15.066 0.733 3.260 0.23 0.00 H new ATOM 0 HE1 PHE A 77 14.922 3.786 7.113 0.12 0.00 H new ATOM 0 HE2 PHE A 77 16.594 2.654 3.358 0.19 0.00 H new ATOM 0 HZ PHE A 77 16.524 4.185 5.287 0.10 0.00 H new ATOM 1234 N HIS A 78 10.964 2.201 3.403 1.00 0.00 N ATOM 1235 CA HIS A 78 10.776 2.950 2.165 0.28 0.00 C ATOM 1236 C HIS A 78 11.388 4.348 2.269 1.00 0.00 C ATOM 1237 O HIS A 78 11.576 4.866 3.369 0.09 0.00 O ATOM 1238 CB HIS A 78 9.284 3.057 1.835 0.24 0.00 C ATOM 1239 CG HIS A 78 8.628 1.732 1.594 0.52 0.00 C ATOM 1240 ND1 HIS A 78 8.685 1.054 0.395 0.90 0.00 N ATOM 1241 CD2 HIS A 78 7.887 0.958 2.427 0.13 0.00 C ATOM 1242 CE1 HIS A 78 7.992 -0.085 0.534 1.00 0.00 C ATOM 1243 NE2 HIS A 78 7.488 -0.190 1.749 0.75 0.00 N ATOM 0 H HIS A 78 10.550 2.638 4.227 1.00 0.00 H new ATOM 0 HA HIS A 78 11.284 2.413 1.364 0.28 0.00 H new ATOM 0 HB2 HIS A 78 8.774 3.562 2.655 0.24 0.00 H new ATOM 0 HB3 HIS A 78 9.160 3.681 0.950 0.24 0.00 H new ATOM 0 HD2 HIS A 78 7.645 1.195 3.453 0.13 0.00 H new ATOM 0 HE1 HIS A 78 7.863 -0.820 -0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.922 -0.955 2.116 0.75 0.00 H new ATOM 1251 N PRO A 79 11.710 4.976 1.120 0.20 0.00 N ATOM 1252 CA PRO A 79 12.301 6.321 1.093 0.21 0.00 C ATOM 1253 C PRO A 79 11.407 7.358 1.762 0.19 0.00 C ATOM 1254 O PRO A 79 11.880 8.403 2.211 1.00 0.00 O ATOM 1255 CB PRO A 79 12.455 6.628 -0.403 1.00 0.00 C ATOM 1256 CG PRO A 79 11.550 5.666 -1.095 0.09 0.00 C ATOM 1257 CD PRO A 79 11.526 4.435 -0.238 0.16 0.00 C ATOM 0 HA PRO A 79 13.242 6.358 1.641 0.21 0.00 H new ATOM 0 HB2 PRO A 79 12.177 7.659 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.488 6.500 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.549 6.083 -1.208 0.09 0.00 H new ATOM 0 HG3 PRO A 79 11.915 5.438 -2.096 0.09 0.00 H new ATOM 0 HD2 PRO A 79 10.584 3.895 -0.333 0.16 0.00 H new ATOM 0 HD3 PRO A 79 12.321 3.740 -0.507 0.16 0.00 H new ATOM 1265 N ASN A 80 10.112 7.065 1.827 0.86 0.00 N ATOM 1266 CA ASN A 80 9.153 7.973 2.446 0.10 0.00 C ATOM 1267 C ASN A 80 8.108 7.197 3.243 1.00 0.00 C ATOM 1268 O ASN A 80 7.365 6.386 2.689 0.98 0.00 O ATOM 1269 CB ASN A 80 8.471 8.831 1.381 0.15 0.00 C ATOM 1270 CG ASN A 80 7.819 7.999 0.293 0.30 0.00 C ATOM 1271 OD1 ASN A 80 6.645 7.642 0.387 0.12 0.00 O ATOM 1272 ND2 ASN A 80 8.583 7.685 -0.747 0.31 0.00 N ATOM 0 H ASN A 80 9.703 6.206 1.459 0.86 0.00 H new ATOM 0 HA ASN A 80 9.695 8.625 3.131 0.10 0.00 H new ATOM 0 HB2 ASN A 80 7.717 9.460 1.854 0.15 0.00 H new ATOM 0 HB3 ASN A 80 9.206 9.499 0.932 0.15 0.00 H new ATOM 0 HD21 ASN A 80 8.201 7.126 -1.510 0.31 0.00 H new ATOM 0 HD22 ASN A 80 9.552 8.003 -0.783 0.31 0.00 H new ATOM 1279 N VAL A 81 8.056 7.455 4.544 0.13 0.00 N ATOM 1280 CA VAL A 81 7.102 6.785 5.420 0.76 0.00 C ATOM 1281 C VAL A 81 6.793 7.642 6.644 0.05 0.00 C ATOM 1282 O VAL A 81 7.668 8.333 7.166 0.15 0.00 O ATOM 1283 CB VAL A 81 7.628 5.409 5.876 1.00 0.00 C ATOM 1284 CG1 VAL A 81 8.896 5.560 6.703 0.11 0.00 C ATOM 1285 CG2 VAL A 81 6.558 4.658 6.654 0.17 0.00 C ATOM 0 H VAL A 81 8.664 8.124 5.016 0.13 0.00 H new ATOM 0 HA VAL A 81 6.187 6.636 4.846 0.76 0.00 H new ATOM 0 HB VAL A 81 7.875 4.827 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.248 4.576 7.013 0.11 0.00 H new ATOM 0 HG12 VAL A 81 9.665 6.048 6.104 0.11 0.00 H new ATOM 0 HG13 VAL A 81 8.685 6.164 7.585 0.11 0.00 H new ATOM 0 HG21 VAL A 81 6.948 3.690 6.967 0.17 0.00 H new ATOM 0 HG22 VAL A 81 6.274 5.236 7.533 0.17 0.00 H new ATOM 0 HG23 VAL A 81 5.684 4.509 6.020 0.17 0.00 H new ATOM 1295 N TYR A 82 5.544 7.592 7.098 0.11 0.00 N ATOM 1296 CA TYR A 82 5.122 8.367 8.260 0.06 0.00 C ATOM 1297 C TYR A 82 5.484 7.647 9.555 0.83 0.00 C ATOM 1298 O TYR A 82 5.947 6.506 9.535 0.21 0.00 O ATOM 1299 CB TYR A 82 3.616 8.625 8.209 1.00 0.00 C ATOM 1300 CG TYR A 82 3.178 9.411 6.995 0.75 0.00 C ATOM 1301 CD1 TYR A 82 3.254 10.799 6.977 0.73 0.00 C ATOM 1302 CD2 TYR A 82 2.689 8.767 5.866 0.26 0.00 C ATOM 1303 CE1 TYR A 82 2.854 11.521 5.868 0.87 0.00 C ATOM 1304 CE2 TYR A 82 2.287 9.482 4.754 1.00 0.00 C ATOM 1305 CZ TYR A 82 2.372 10.858 4.759 0.61 0.00 C ATOM 1306 OH TYR A 82 1.972 11.573 3.654 0.20 0.00 O ATOM 0 H TYR A 82 4.808 7.024 6.680 0.11 0.00 H new ATOM 0 HA TYR A 82 5.647 9.322 8.238 0.06 0.00 H new ATOM 0 HB2 TYR A 82 3.091 7.670 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.318 9.164 9.108 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.632 11.322 7.843 0.73 0.00 H new ATOM 0 HD2 TYR A 82 2.622 7.689 5.857 0.26 0.00 H new ATOM 0 HE1 TYR A 82 2.919 12.599 5.870 0.87 0.00 H new ATOM 0 HE2 TYR A 82 1.908 8.965 3.885 1.00 0.00 H new ATOM 0 HH TYR A 82 2.640 11.477 2.943 0.20 0.00 H new ATOM 1316 N ALA A 83 5.266 8.321 10.680 0.69 0.00 N ATOM 1317 CA ALA A 83 5.571 7.754 11.986 0.08 0.00 C ATOM 1318 C ALA A 83 4.718 6.521 12.269 1.00 0.00 C ATOM 1319 O ALA A 83 5.157 5.595 12.951 0.15 0.00 O ATOM 1320 CB ALA A 83 5.372 8.798 13.075 1.00 0.00 C ATOM 0 H ALA A 83 4.878 9.264 10.712 0.69 0.00 H new ATOM 0 HA ALA A 83 6.616 7.443 11.981 0.08 0.00 H new ATOM 0 HB1 ALA A 83 5.604 8.360 14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.033 9.645 12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.336 9.138 13.068 1.00 0.00 H new ATOM 1326 N ASP A 84 3.497 6.512 11.741 0.88 0.00 N ATOM 1327 CA ASP A 84 2.586 5.391 11.942 0.47 0.00 C ATOM 1328 C ASP A 84 2.872 4.268 10.952 0.16 0.00 C ATOM 1329 O ASP A 84 2.378 3.151 11.107 0.93 0.00 O ATOM 1330 CB ASP A 84 1.134 5.851 11.805 1.00 0.00 C ATOM 1331 CG ASP A 84 0.754 6.881 12.850 0.21 0.00 C ATOM 1332 OD1 ASP A 84 0.364 6.478 13.966 0.10 0.00 O ATOM 1333 OD2 ASP A 84 0.845 8.090 12.552 0.32 0.00 O ATOM 0 H ASP A 84 3.117 7.268 11.171 0.88 0.00 H new ATOM 0 HA ASP A 84 2.744 5.008 12.950 0.47 0.00 H new ATOM 0 HB2 ASP A 84 0.981 6.272 10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.473 4.989 11.891 1.00 0.00 H new ATOM 1338 N GLY A 85 3.669 4.569 9.933 1.00 0.00 N ATOM 1339 CA GLY A 85 4.006 3.571 8.933 1.00 0.00 C ATOM 1340 C GLY A 85 3.155 3.690 7.684 0.80 0.00 C ATOM 1341 O GLY A 85 3.253 2.861 6.778 0.66 0.00 O ATOM 0 H GLY A 85 4.088 5.486 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.057 3.672 8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.881 2.576 9.361 1.00 0.00 H new ATOM 1345 N SER A 86 2.317 4.720 7.637 1.00 0.00 N ATOM 1346 CA SER A 86 1.445 4.946 6.490 0.10 0.00 C ATOM 1347 C SER A 86 2.264 5.256 5.240 0.79 0.00 C ATOM 1348 O SER A 86 3.445 5.595 5.328 1.00 0.00 O ATOM 1349 CB SER A 86 0.476 6.092 6.779 0.44 0.00 C ATOM 1350 OG SER A 86 -0.349 5.795 7.893 0.11 0.00 O ATOM 0 H SER A 86 2.223 5.412 8.380 1.00 0.00 H new ATOM 0 HA SER A 86 0.874 4.035 6.311 0.10 0.00 H new ATOM 0 HB2 SER A 86 1.037 7.007 6.972 0.44 0.00 H new ATOM 0 HB3 SER A 86 -0.145 6.277 5.902 0.44 0.00 H new ATOM 0 HG SER A 86 -0.958 6.545 8.058 0.11 0.00 H new ATOM 1356 N ILE A 87 1.630 5.139 4.076 0.16 0.00 N ATOM 1357 CA ILE A 87 2.302 5.406 2.811 1.00 0.00 C ATOM 1358 C ILE A 87 1.970 6.803 2.296 1.00 0.00 C ATOM 1359 O ILE A 87 0.816 7.231 2.333 0.77 0.00 O ATOM 1360 CB ILE A 87 1.915 4.372 1.732 1.00 0.00 C ATOM 1361 CG1 ILE A 87 2.191 2.951 2.227 0.08 0.00 C ATOM 1362 CG2 ILE A 87 2.672 4.642 0.441 1.00 0.00 C ATOM 1363 CD1 ILE A 87 1.060 2.360 3.040 0.36 0.00 C ATOM 0 H ILE A 87 0.653 4.861 3.984 0.16 0.00 H new ATOM 0 HA ILE A 87 3.372 5.334 3.005 1.00 0.00 H new ATOM 0 HB ILE A 87 0.848 4.466 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.384 2.308 1.369 0.08 0.00 H new ATOM 0 HG13 ILE A 87 3.098 2.956 2.832 0.08 0.00 H new ATOM 0 HG21 ILE A 87 2.387 3.904 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.428 5.641 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.744 4.575 0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.327 1.352 3.356 0.36 0.00 H new ATOM 0 HD12 ILE A 87 0.880 2.980 3.918 0.36 0.00 H new ATOM 0 HD13 ILE A 87 0.156 2.322 2.432 0.36 0.00 H new ATOM 1375 N CYS A 88 2.990 7.509 1.815 0.53 0.00 N ATOM 1376 CA CYS A 88 2.807 8.858 1.292 0.17 0.00 C ATOM 1377 C CYS A 88 2.535 8.822 -0.210 0.22 0.00 C ATOM 1378 O CYS A 88 3.453 8.660 -1.014 0.63 0.00 O ATOM 1379 CB CYS A 88 4.045 9.710 1.579 0.09 0.00 C ATOM 1380 SG CYS A 88 3.920 11.414 0.990 1.00 0.00 S ATOM 0 H CYS A 88 3.951 7.169 1.777 0.53 0.00 H new ATOM 0 HA CYS A 88 1.946 9.304 1.790 0.17 0.00 H new ATOM 0 HB2 CYS A 88 4.224 9.721 2.654 0.09 0.00 H new ATOM 0 HB3 CYS A 88 4.912 9.239 1.116 0.09 0.00 H new ATOM 0 HG CYS A 88 5.013 12.055 1.281 1.00 0.00 H new ATOM 1386 N LEU A 89 1.266 8.971 -0.579 0.13 0.00 N ATOM 1387 CA LEU A 89 0.871 8.957 -1.982 0.18 0.00 C ATOM 1388 C LEU A 89 0.076 10.212 -2.333 0.26 0.00 C ATOM 1389 O LEU A 89 -0.612 10.780 -1.485 1.00 0.00 O ATOM 1390 CB LEU A 89 0.040 7.705 -2.284 1.00 0.00 C ATOM 1391 CG LEU A 89 0.483 6.904 -3.513 0.63 0.00 C ATOM 1392 CD1 LEU A 89 0.412 7.760 -4.769 1.00 0.00 C ATOM 1393 CD2 LEU A 89 1.890 6.359 -3.317 0.12 0.00 C ATOM 0 H LEU A 89 0.494 9.103 0.075 0.13 0.00 H new ATOM 0 HA LEU A 89 1.774 8.940 -2.593 0.18 0.00 H new ATOM 0 HB2 LEU A 89 0.071 7.050 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.999 8.004 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.199 6.062 -3.635 0.63 0.00 H new ATOM 0 HD11 LEU A 89 0.731 7.171 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.613 8.099 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.067 8.624 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.187 5.793 -4.200 0.12 0.00 H new ATOM 0 HD22 LEU A 89 2.583 7.187 -3.166 0.12 0.00 H new ATOM 0 HD23 LEU A 89 1.909 5.706 -2.444 0.12 0.00 H new ATOM 1405 N ASP A 90 0.175 10.637 -3.590 1.00 0.00 N ATOM 1406 CA ASP A 90 -0.528 11.828 -4.054 0.86 0.00 C ATOM 1407 C ASP A 90 -1.999 11.530 -4.331 0.12 0.00 C ATOM 1408 O ASP A 90 -2.814 12.447 -4.449 1.00 0.00 O ATOM 1409 CB ASP A 90 0.135 12.376 -5.319 0.38 0.00 C ATOM 1410 CG ASP A 90 1.592 12.732 -5.101 0.34 0.00 C ATOM 1411 OD1 ASP A 90 1.870 13.884 -4.706 0.11 0.00 O ATOM 1412 OD2 ASP A 90 2.457 11.859 -5.325 1.00 0.00 O ATOM 0 H ASP A 90 0.736 10.174 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.472 12.576 -3.263 0.86 0.00 H new ATOM 0 HB2 ASP A 90 0.060 11.635 -6.115 0.38 0.00 H new ATOM 0 HB3 ASP A 90 -0.406 13.261 -5.655 0.38 0.00 H new ATOM 1417 N ILE A 91 -2.337 10.249 -4.437 0.11 0.00 N ATOM 1418 CA ILE A 91 -3.711 9.842 -4.704 1.00 0.00 C ATOM 1419 C ILE A 91 -4.634 10.228 -3.551 0.96 0.00 C ATOM 1420 O ILE A 91 -5.827 10.462 -3.749 1.00 0.00 O ATOM 1421 CB ILE A 91 -3.812 8.322 -4.951 0.56 0.00 C ATOM 1422 CG1 ILE A 91 -5.216 7.953 -5.433 0.44 0.00 C ATOM 1423 CG2 ILE A 91 -3.460 7.552 -3.685 0.15 0.00 C ATOM 1424 CD1 ILE A 91 -5.354 6.504 -5.855 0.06 0.00 C ATOM 0 H ILE A 91 -1.679 9.476 -4.342 0.11 0.00 H new ATOM 0 HA ILE A 91 -4.027 10.367 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.098 8.048 -5.728 0.56 0.00 H new ATOM 0 HG12 ILE A 91 -5.930 8.160 -4.636 0.44 0.00 H new ATOM 0 HG13 ILE A 91 -5.482 8.594 -6.274 0.44 0.00 H new ATOM 0 HG21 ILE A 91 -3.536 6.482 -3.877 0.15 0.00 H new ATOM 0 HG22 ILE A 91 -2.441 7.795 -3.383 0.15 0.00 H new ATOM 0 HG23 ILE A 91 -4.150 7.828 -2.888 0.15 0.00 H new ATOM 0 HD11 ILE A 91 -6.376 6.317 -6.184 0.06 0.00 H new ATOM 0 HD12 ILE A 91 -4.665 6.296 -6.674 0.06 0.00 H new ATOM 0 HD13 ILE A 91 -5.120 5.855 -5.011 0.06 0.00 H new ATOM 1436 N LEU A 92 -4.072 10.296 -2.348 0.21 0.00 N ATOM 1437 CA LEU A 92 -4.841 10.654 -1.161 0.22 0.00 C ATOM 1438 C LEU A 92 -5.297 12.108 -1.223 1.00 0.00 C ATOM 1439 O LEU A 92 -6.271 12.492 -0.574 0.40 0.00 O ATOM 1440 CB LEU A 92 -4.005 10.424 0.103 1.00 0.00 C ATOM 1441 CG LEU A 92 -3.683 8.961 0.413 0.07 0.00 C ATOM 1442 CD1 LEU A 92 -2.721 8.865 1.585 1.00 0.00 C ATOM 1443 CD2 LEU A 92 -4.961 8.185 0.709 0.08 0.00 C ATOM 0 H LEU A 92 -3.086 10.108 -2.169 0.21 0.00 H new ATOM 0 HA LEU A 92 -5.725 10.017 -1.127 0.22 0.00 H new ATOM 0 HB2 LEU A 92 -3.068 10.973 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.537 10.851 0.954 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.206 8.520 -0.462 0.07 0.00 H new ATOM 0 HD11 LEU A 92 -2.503 7.817 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.796 9.387 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.173 9.322 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.714 7.146 0.927 0.08 0.00 H new ATOM 0 HD22 LEU A 92 -5.464 8.627 1.569 0.08 0.00 H new ATOM 0 HD23 LEU A 92 -5.621 8.226 -0.158 0.08 0.00 H new ATOM 1455 N GLN A 93 -4.591 12.913 -2.013 0.75 0.00 N ATOM 1456 CA GLN A 93 -4.924 14.327 -2.159 0.20 0.00 C ATOM 1457 C GLN A 93 -6.232 14.503 -2.924 0.55 0.00 C ATOM 1458 O GLN A 93 -6.989 13.551 -3.109 0.13 0.00 O ATOM 1459 CB GLN A 93 -3.796 15.066 -2.881 0.32 0.00 C ATOM 1460 CG GLN A 93 -2.490 15.095 -2.105 0.40 0.00 C ATOM 1461 CD GLN A 93 -1.410 15.887 -2.814 0.09 0.00 C ATOM 1462 OE1 GLN A 93 -0.647 15.214 -3.666 0.32 0.00 O flip ATOM 1463 NE2 GLN A 93 -1.265 17.091 -2.599 0.18 0.00 N flip ATOM 0 H GLN A 93 -3.786 12.611 -2.561 0.75 0.00 H new ATOM 0 HA GLN A 93 -5.047 14.749 -1.162 0.20 0.00 H new ATOM 0 HB2 GLN A 93 -3.624 14.592 -3.847 0.32 0.00 H new ATOM 0 HB3 GLN A 93 -4.113 16.090 -3.080 0.32 0.00 H new ATOM 0 HG2 GLN A 93 -2.666 15.528 -1.120 0.40 0.00 H new ATOM 0 HG3 GLN A 93 -2.143 14.074 -1.947 0.40 0.00 H new ATOM 0 HE21 GLN A 93 -1.875 17.568 -1.935 0.18 0.00 H new ATOM 0 HE22 GLN A 93 -0.535 17.612 -3.085 0.18 0.00 H new ATOM 1472 N ASN A 94 -6.490 15.731 -3.369 1.00 0.00 N ATOM 1473 CA ASN A 94 -7.706 16.038 -4.114 1.00 0.00 C ATOM 1474 C ASN A 94 -7.697 15.363 -5.483 0.07 0.00 C ATOM 1475 O ASN A 94 -8.653 15.484 -6.249 0.10 0.00 O ATOM 1476 CB ASN A 94 -7.854 17.553 -4.283 0.14 0.00 C ATOM 1477 CG ASN A 94 -8.011 18.272 -2.959 0.46 0.00 C ATOM 1478 OD1 ASN A 94 -9.124 18.461 -2.469 0.63 0.00 O ATOM 1479 ND2 ASN A 94 -6.893 18.682 -2.370 0.13 0.00 N ATOM 0 H ASN A 94 -5.872 16.529 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.554 15.654 -3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.980 17.944 -4.804 0.14 0.00 H new ATOM 0 HB3 ASN A 94 -8.720 17.762 -4.911 0.14 0.00 H new ATOM 0 HD21 ASN A 94 -6.938 19.174 -1.478 0.13 0.00 H new ATOM 0 HD22 ASN A 94 -5.990 18.505 -2.810 0.13 0.00 H new ATOM 1486 N ARG A 95 -6.616 14.652 -5.784 0.76 0.00 N ATOM 1487 CA ARG A 95 -6.486 13.959 -7.061 0.80 0.00 C ATOM 1488 C ARG A 95 -7.321 12.680 -7.081 1.00 0.00 C ATOM 1489 O ARG A 95 -7.349 11.962 -8.082 0.20 0.00 O ATOM 1490 CB ARG A 95 -5.019 13.628 -7.339 0.09 0.00 C ATOM 1491 CG ARG A 95 -4.116 14.852 -7.370 0.43 0.00 C ATOM 1492 CD ARG A 95 -2.681 14.476 -7.702 0.19 0.00 C ATOM 1493 NE ARG A 95 -1.793 15.636 -7.690 1.00 0.00 N ATOM 1494 CZ ARG A 95 -0.498 15.576 -7.984 0.12 0.00 C ATOM 1495 NH1 ARG A 95 0.062 14.418 -8.302 0.08 0.00 N ATOM 1496 NH2 ARG A 95 0.240 16.678 -7.957 0.06 0.00 N ATOM 0 H ARG A 95 -5.816 14.540 -5.161 0.76 0.00 H new ATOM 0 HA ARG A 95 -6.857 14.623 -7.842 0.80 0.00 H new ATOM 0 HB2 ARG A 95 -4.659 12.940 -6.574 0.09 0.00 H new ATOM 0 HB3 ARG A 95 -4.947 13.109 -8.295 0.09 0.00 H new ATOM 0 HG2 ARG A 95 -4.488 15.561 -8.109 0.43 0.00 H new ATOM 0 HG3 ARG A 95 -4.148 15.354 -6.403 0.43 0.00 H new ATOM 0 HD2 ARG A 95 -2.324 13.739 -6.983 0.19 0.00 H new ATOM 0 HD3 ARG A 95 -2.648 14.005 -8.684 0.19 0.00 H new ATOM 0 HE ARG A 95 -2.189 16.543 -7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.501 13.568 -8.322 0.08 0.00 H new ATOM 0 HH12 ARG A 95 1.056 14.377 -8.527 0.08 0.00 H new ATOM 0 HH21 ARG A 95 -0.186 17.571 -7.711 0.06 0.00 H new ATOM 0 HH22 ARG A 95 1.234 16.632 -8.183 0.06 0.00 H new ATOM 1510 N TRP A 96 -8.000 12.402 -5.972 1.00 0.00 N ATOM 1511 CA TRP A 96 -8.837 11.211 -5.862 0.40 0.00 C ATOM 1512 C TRP A 96 -10.185 11.428 -6.547 0.54 0.00 C ATOM 1513 O TRP A 96 -10.774 12.506 -6.456 0.78 0.00 O ATOM 1514 CB TRP A 96 -9.045 10.844 -4.390 1.00 0.00 C ATOM 1515 CG TRP A 96 -10.008 9.712 -4.180 1.00 0.00 C ATOM 1516 CD1 TRP A 96 -11.224 9.779 -3.562 0.33 0.00 C ATOM 1517 CD2 TRP A 96 -9.837 8.349 -4.585 1.00 0.00 C ATOM 1518 NE1 TRP A 96 -11.818 8.542 -3.556 0.43 0.00 N ATOM 1519 CE2 TRP A 96 -10.989 7.646 -4.178 1.00 0.00 C ATOM 1520 CE3 TRP A 96 -8.824 7.651 -5.252 0.23 0.00 C ATOM 1521 CZ2 TRP A 96 -11.153 6.284 -4.415 0.05 0.00 C ATOM 1522 CZ3 TRP A 96 -8.992 6.298 -5.488 0.71 0.00 C ATOM 1523 CH2 TRP A 96 -10.150 5.627 -5.070 0.12 0.00 C ATOM 0 H TRP A 96 -7.987 12.986 -5.136 1.00 0.00 H new ATOM 0 HA TRP A 96 -8.327 10.388 -6.363 0.40 0.00 H new ATOM 0 HB2 TRP A 96 -8.083 10.577 -3.952 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -9.407 11.721 -3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -11.655 10.675 -3.140 0.33 0.00 H new ATOM 0 HE1 TRP A 96 -12.730 8.325 -3.153 0.43 0.00 H new ATOM 0 HE3 TRP A 96 -7.928 8.159 -5.577 0.23 0.00 H new ATOM 0 HZ2 TRP A 96 -12.043 5.764 -4.092 0.05 0.00 H new ATOM 0 HZ3 TRP A 96 -8.218 5.749 -6.003 0.71 0.00 H new ATOM 0 HH2 TRP A 96 -10.251 4.570 -5.270 0.12 0.00 H new ATOM 1534 N SER A 97 -10.667 10.395 -7.232 0.17 0.00 N ATOM 1535 CA SER A 97 -11.941 10.471 -7.938 0.09 0.00 C ATOM 1536 C SER A 97 -12.909 9.396 -7.440 1.00 0.00 C ATOM 1537 O SER A 97 -12.483 8.346 -6.959 0.14 0.00 O ATOM 1538 CB SER A 97 -11.719 10.314 -9.445 1.00 0.00 C ATOM 1539 OG SER A 97 -10.896 11.352 -9.948 0.23 0.00 O ATOM 0 H SER A 97 -10.194 9.495 -7.313 0.17 0.00 H new ATOM 0 HA SER A 97 -12.381 11.448 -7.739 0.09 0.00 H new ATOM 0 HB2 SER A 97 -11.258 9.348 -9.649 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.679 10.324 -9.961 1.00 0.00 H new ATOM 0 HG SER A 97 -10.767 11.229 -10.912 0.23 0.00 H new ATOM 1545 N PRO A 98 -14.229 9.646 -7.546 0.26 0.00 N ATOM 1546 CA PRO A 98 -15.250 8.695 -7.105 1.00 0.00 C ATOM 1547 C PRO A 98 -15.474 7.570 -8.109 0.38 0.00 C ATOM 1548 O PRO A 98 -16.357 6.731 -7.932 0.09 0.00 O ATOM 1549 CB PRO A 98 -16.500 9.563 -6.990 1.00 0.00 C ATOM 1550 CG PRO A 98 -16.314 10.622 -8.021 0.78 0.00 C ATOM 1551 CD PRO A 98 -14.831 10.875 -8.104 0.21 0.00 C ATOM 0 HA PRO A 98 -14.969 8.192 -6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -17.404 8.983 -7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.595 9.992 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -16.708 10.300 -8.985 0.78 0.00 H new ATOM 0 HG3 PRO A 98 -16.849 11.531 -7.746 0.78 0.00 H new ATOM 0 HD2 PRO A 98 -14.512 11.045 -9.132 0.21 0.00 H new ATOM 0 HD3 PRO A 98 -14.543 11.757 -7.531 0.21 0.00 H new ATOM 1559 N THR A 99 -14.667 7.557 -9.167 0.93 0.00 N ATOM 1560 CA THR A 99 -14.779 6.537 -10.200 0.09 0.00 C ATOM 1561 C THR A 99 -13.915 5.323 -9.871 0.39 0.00 C ATOM 1562 O THR A 99 -14.359 4.181 -10.002 0.83 0.00 O ATOM 1563 CB THR A 99 -14.371 7.086 -11.578 1.00 0.00 C ATOM 1564 OG1 THR A 99 -13.042 7.620 -11.521 0.09 0.00 O ATOM 1565 CG2 THR A 99 -15.338 8.165 -12.038 0.10 0.00 C ATOM 0 H THR A 99 -13.929 8.242 -9.329 0.93 0.00 H new ATOM 0 HA THR A 99 -15.826 6.235 -10.234 0.09 0.00 H new ATOM 0 HB THR A 99 -14.400 6.265 -12.294 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.790 7.966 -12.403 0.09 0.00 H new ATOM 0 HG21 THR A 99 -15.029 8.538 -13.014 0.10 0.00 H new ATOM 0 HG22 THR A 99 -16.342 7.747 -12.110 0.10 0.00 H new ATOM 0 HG23 THR A 99 -15.337 8.985 -11.320 0.10 0.00 H new ATOM 1573 N TYR A 100 -12.683 5.575 -9.443 0.34 0.00 N ATOM 1574 CA TYR A 100 -11.759 4.500 -9.095 0.82 0.00 C ATOM 1575 C TYR A 100 -12.277 3.706 -7.902 1.00 0.00 C ATOM 1576 O TYR A 100 -13.204 4.132 -7.214 1.00 0.00 O ATOM 1577 CB TYR A 100 -10.373 5.065 -8.783 1.00 0.00 C ATOM 1578 CG TYR A 100 -9.706 5.730 -9.966 0.52 0.00 C ATOM 1579 CD1 TYR A 100 -9.154 4.973 -10.992 0.45 0.00 C ATOM 1580 CD2 TYR A 100 -9.628 7.113 -10.056 0.19 0.00 C ATOM 1581 CE1 TYR A 100 -8.541 5.577 -12.074 0.52 0.00 C ATOM 1582 CE2 TYR A 100 -9.017 7.726 -11.134 1.00 0.00 C ATOM 1583 CZ TYR A 100 -8.475 6.953 -12.140 0.24 0.00 C ATOM 1584 OH TYR A 100 -7.866 7.557 -13.214 0.69 0.00 O ATOM 0 H TYR A 100 -12.300 6.514 -9.328 0.34 0.00 H new ATOM 0 HA TYR A 100 -11.683 3.830 -9.952 0.82 0.00 H new ATOM 0 HB2 TYR A 100 -10.460 5.788 -7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -9.734 4.258 -8.423 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.205 3.895 -10.943 0.45 0.00 H new ATOM 0 HD2 TYR A 100 -10.052 7.721 -9.270 0.19 0.00 H new ATOM 0 HE1 TYR A 100 -8.116 4.975 -12.863 0.52 0.00 H new ATOM 0 HE2 TYR A 100 -8.964 8.803 -11.188 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.906 8.530 -13.108 0.69 0.00 H new ATOM 1594 N ASP A 101 -11.663 2.552 -7.658 0.31 0.00 N ATOM 1595 CA ASP A 101 -12.062 1.695 -6.549 1.00 0.00 C ATOM 1596 C ASP A 101 -10.858 1.325 -5.686 0.17 0.00 C ATOM 1597 O ASP A 101 -9.768 1.872 -5.856 0.32 0.00 O ATOM 1598 CB ASP A 101 -12.747 0.432 -7.074 1.00 0.00 C ATOM 1599 CG ASP A 101 -11.840 -0.396 -7.961 0.07 0.00 C ATOM 1600 OD1 ASP A 101 -11.481 0.085 -9.057 0.06 0.00 O ATOM 1601 OD2 ASP A 101 -11.492 -1.526 -7.562 1.00 0.00 O ATOM 0 H ASP A 101 -10.888 2.190 -8.214 0.31 0.00 H new ATOM 0 HA ASP A 101 -12.769 2.247 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -13.078 -0.175 -6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -13.639 0.713 -7.634 1.00 0.00 H new ATOM 1606 N VAL A 102 -11.069 0.398 -4.755 0.12 0.00 N ATOM 1607 CA VAL A 102 -10.010 -0.045 -3.855 0.12 0.00 C ATOM 1608 C VAL A 102 -8.795 -0.565 -4.623 0.12 0.00 C ATOM 1609 O VAL A 102 -7.663 -0.466 -4.149 0.06 0.00 O ATOM 1610 CB VAL A 102 -10.520 -1.145 -2.900 0.50 0.00 C ATOM 1611 CG1 VAL A 102 -11.046 -2.336 -3.686 0.31 0.00 C ATOM 1612 CG2 VAL A 102 -9.424 -1.575 -1.934 0.50 0.00 C ATOM 0 H VAL A 102 -11.967 -0.062 -4.605 0.12 0.00 H new ATOM 0 HA VAL A 102 -9.706 0.825 -3.273 0.12 0.00 H new ATOM 0 HB VAL A 102 -11.342 -0.733 -2.315 0.50 0.00 H new ATOM 0 HG11 VAL A 102 -11.401 -3.100 -2.995 0.31 0.00 H new ATOM 0 HG12 VAL A 102 -11.868 -2.015 -4.326 0.31 0.00 H new ATOM 0 HG13 VAL A 102 -10.246 -2.747 -4.302 0.31 0.00 H new ATOM 0 HG21 VAL A 102 -9.807 -2.351 -1.271 0.50 0.00 H new ATOM 0 HG22 VAL A 102 -8.576 -1.965 -2.496 0.50 0.00 H new ATOM 0 HG23 VAL A 102 -9.104 -0.718 -1.342 0.50 0.00 H new ATOM 1622 N SER A 103 -9.032 -1.111 -5.811 0.10 0.00 N ATOM 1623 CA SER A 103 -7.951 -1.646 -6.634 0.08 0.00 C ATOM 1624 C SER A 103 -6.935 -0.561 -6.984 1.00 0.00 C ATOM 1625 O SER A 103 -5.742 -0.835 -7.120 0.08 0.00 O ATOM 1626 CB SER A 103 -8.514 -2.265 -7.916 0.19 0.00 C ATOM 1627 OG SER A 103 -9.088 -1.275 -8.752 0.22 0.00 O ATOM 0 H SER A 103 -9.960 -1.195 -6.226 0.10 0.00 H new ATOM 0 HA SER A 103 -7.443 -2.418 -6.057 0.08 0.00 H new ATOM 0 HB2 SER A 103 -7.719 -2.782 -8.453 0.19 0.00 H new ATOM 0 HB3 SER A 103 -9.266 -3.012 -7.663 0.19 0.00 H new ATOM 0 HG SER A 103 -9.439 -1.696 -9.564 0.22 0.00 H new ATOM 1633 N SER A 104 -7.417 0.670 -7.129 0.35 0.00 N ATOM 1634 CA SER A 104 -6.553 1.799 -7.465 1.00 0.00 C ATOM 1635 C SER A 104 -5.476 2.010 -6.404 0.56 0.00 C ATOM 1636 O SER A 104 -4.299 2.175 -6.727 1.00 0.00 O ATOM 1637 CB SER A 104 -7.382 3.077 -7.621 0.82 0.00 C ATOM 1638 OG SER A 104 -6.555 4.189 -7.915 0.05 0.00 O ATOM 0 H SER A 104 -8.402 0.912 -7.019 0.35 0.00 H new ATOM 0 HA SER A 104 -6.062 1.569 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.114 2.944 -8.417 0.82 0.00 H new ATOM 0 HB3 SER A 104 -7.939 3.267 -6.704 0.82 0.00 H new ATOM 0 HG SER A 104 -7.109 4.992 -8.011 0.05 0.00 H new ATOM 1644 N ILE A 105 -5.885 2.008 -5.138 0.28 0.00 N ATOM 1645 CA ILE A 105 -4.952 2.205 -4.035 1.00 0.00 C ATOM 1646 C ILE A 105 -3.921 1.076 -3.984 1.00 0.00 C ATOM 1647 O ILE A 105 -2.774 1.286 -3.591 0.61 0.00 O ATOM 1648 CB ILE A 105 -5.705 2.308 -2.683 0.56 0.00 C ATOM 1649 CG1 ILE A 105 -5.063 3.368 -1.779 0.06 0.00 C ATOM 1650 CG2 ILE A 105 -5.764 0.958 -1.973 0.29 0.00 C ATOM 1651 CD1 ILE A 105 -3.639 3.052 -1.368 0.48 0.00 C ATOM 0 H ILE A 105 -6.855 1.872 -4.852 0.28 0.00 H new ATOM 0 HA ILE A 105 -4.426 3.144 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.728 2.615 -2.899 0.56 0.00 H new ATOM 0 HG12 ILE A 105 -5.076 4.327 -2.297 0.06 0.00 H new ATOM 0 HG13 ILE A 105 -5.672 3.482 -0.882 0.06 0.00 H new ATOM 0 HG21 ILE A 105 -6.298 1.066 -1.029 0.29 0.00 H new ATOM 0 HG22 ILE A 105 -6.284 0.237 -2.604 0.29 0.00 H new ATOM 0 HG23 ILE A 105 -4.751 0.605 -1.778 0.29 0.00 H new ATOM 0 HD11 ILE A 105 -3.259 3.850 -0.731 0.48 0.00 H new ATOM 0 HD12 ILE A 105 -3.619 2.110 -0.820 0.48 0.00 H new ATOM 0 HD13 ILE A 105 -3.014 2.968 -2.257 0.48 0.00 H new ATOM 1663 N LEU A 106 -4.337 -0.118 -4.396 0.07 0.00 N ATOM 1664 CA LEU A 106 -3.452 -1.278 -4.398 0.10 0.00 C ATOM 1665 C LEU A 106 -2.330 -1.107 -5.418 0.24 0.00 C ATOM 1666 O LEU A 106 -1.162 -1.356 -5.117 0.91 0.00 O ATOM 1667 CB LEU A 106 -4.240 -2.552 -4.709 0.47 0.00 C ATOM 1668 CG LEU A 106 -5.284 -2.954 -3.663 0.50 0.00 C ATOM 1669 CD1 LEU A 106 -6.028 -4.201 -4.111 0.10 0.00 C ATOM 1670 CD2 LEU A 106 -4.624 -3.184 -2.310 0.09 0.00 C ATOM 0 H LEU A 106 -5.281 -0.307 -4.733 0.07 0.00 H new ATOM 0 HA LEU A 106 -3.011 -1.363 -3.405 0.10 0.00 H new ATOM 0 HB2 LEU A 106 -4.743 -2.422 -5.667 0.47 0.00 H new ATOM 0 HB3 LEU A 106 -3.535 -3.375 -4.828 0.47 0.00 H new ATOM 0 HG LEU A 106 -6.002 -2.140 -3.560 0.50 0.00 H new ATOM 0 HD11 LEU A 106 -6.767 -4.474 -3.357 0.10 0.00 H new ATOM 0 HD12 LEU A 106 -6.531 -4.004 -5.058 0.10 0.00 H new ATOM 0 HD13 LEU A 106 -5.321 -5.020 -4.240 0.10 0.00 H new ATOM 0 HD21 LEU A 106 -5.381 -3.469 -1.580 0.09 0.00 H new ATOM 0 HD22 LEU A 106 -3.885 -3.981 -2.396 0.09 0.00 H new ATOM 0 HD23 LEU A 106 -4.132 -2.267 -1.984 0.09 0.00 H new ATOM 1682 N THR A 107 -2.692 -0.683 -6.624 0.05 0.00 N ATOM 1683 CA THR A 107 -1.719 -0.485 -7.692 0.52 0.00 C ATOM 1684 C THR A 107 -0.865 0.752 -7.441 1.00 0.00 C ATOM 1685 O THR A 107 0.277 0.832 -7.894 1.00 0.00 O ATOM 1686 CB THR A 107 -2.409 -0.353 -9.061 0.53 0.00 C ATOM 1687 OG1 THR A 107 -3.262 0.799 -9.073 0.34 0.00 O ATOM 1688 CG2 THR A 107 -3.227 -1.596 -9.376 1.00 0.00 C ATOM 0 H THR A 107 -3.654 -0.469 -6.887 0.05 0.00 H new ATOM 0 HA THR A 107 -1.077 -1.366 -7.701 0.52 0.00 H new ATOM 0 HB THR A 107 -1.637 -0.241 -9.822 0.53 0.00 H new ATOM 0 HG1 THR A 107 -3.441 1.083 -8.152 0.34 0.00 H new ATOM 0 HG21 THR A 107 -3.706 -1.480 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.572 -2.467 -9.396 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.990 -1.733 -8.610 1.00 0.00 H new ATOM 1696 N SER A 108 -1.425 1.717 -6.717 0.16 0.00 N ATOM 1697 CA SER A 108 -0.715 2.953 -6.408 0.16 0.00 C ATOM 1698 C SER A 108 0.499 2.677 -5.526 0.28 0.00 C ATOM 1699 O SER A 108 1.600 3.153 -5.802 1.00 0.00 O ATOM 1700 CB SER A 108 -1.650 3.944 -5.716 0.95 0.00 C ATOM 1701 OG SER A 108 -1.027 5.206 -5.559 0.25 0.00 O ATOM 0 H SER A 108 -2.369 1.666 -6.333 0.16 0.00 H new ATOM 0 HA SER A 108 -0.368 3.388 -7.345 0.16 0.00 H new ATOM 0 HB2 SER A 108 -2.564 4.056 -6.300 0.95 0.00 H new ATOM 0 HB3 SER A 108 -1.941 3.554 -4.740 0.95 0.00 H new ATOM 0 HG SER A 108 -1.691 5.864 -5.264 0.25 0.00 H new ATOM 1707 N ILE A 109 0.288 1.904 -4.464 0.30 0.00 N ATOM 1708 CA ILE A 109 1.363 1.561 -3.540 1.00 0.00 C ATOM 1709 C ILE A 109 2.413 0.695 -4.228 1.00 0.00 C ATOM 1710 O ILE A 109 3.608 0.806 -3.948 0.15 0.00 O ATOM 1711 CB ILE A 109 0.822 0.811 -2.305 0.78 0.00 C ATOM 1712 CG1 ILE A 109 -0.256 1.647 -1.608 0.25 0.00 C ATOM 1713 CG2 ILE A 109 1.955 0.489 -1.340 0.18 0.00 C ATOM 1714 CD1 ILE A 109 -0.986 0.902 -0.510 0.14 0.00 C ATOM 0 H ILE A 109 -0.619 1.504 -4.223 0.30 0.00 H new ATOM 0 HA ILE A 109 1.819 2.496 -3.215 1.00 0.00 H new ATOM 0 HB ILE A 109 0.375 -0.127 -2.635 0.78 0.00 H new ATOM 0 HG12 ILE A 109 0.205 2.540 -1.185 0.25 0.00 H new ATOM 0 HG13 ILE A 109 -0.980 1.983 -2.351 0.25 0.00 H new ATOM 0 HG21 ILE A 109 1.556 -0.040 -0.474 0.18 0.00 H new ATOM 0 HG22 ILE A 109 2.692 -0.138 -1.841 0.18 0.00 H new ATOM 0 HG23 ILE A 109 2.429 1.415 -1.013 0.18 0.00 H new ATOM 0 HD11 ILE A 109 -1.734 1.556 -0.062 0.14 0.00 H new ATOM 0 HD12 ILE A 109 -1.477 0.024 -0.930 0.14 0.00 H new ATOM 0 HD13 ILE A 109 -0.273 0.589 0.253 0.14 0.00 H new ATOM 1726 N GLN A 110 1.957 -0.166 -5.131 0.26 0.00 N ATOM 1727 CA GLN A 110 2.851 -1.057 -5.866 0.48 0.00 C ATOM 1728 C GLN A 110 3.728 -0.273 -6.837 0.62 0.00 C ATOM 1729 O GLN A 110 4.896 -0.607 -7.043 1.00 0.00 O ATOM 1730 CB GLN A 110 2.035 -2.105 -6.628 0.59 0.00 C ATOM 1731 CG GLN A 110 2.887 -3.102 -7.397 0.86 0.00 C ATOM 1732 CD GLN A 110 2.059 -4.026 -8.269 0.11 0.00 C ATOM 1733 OE1 GLN A 110 0.991 -3.651 -8.751 0.21 0.00 O ATOM 1734 NE2 GLN A 110 2.548 -5.243 -8.476 0.58 0.00 N ATOM 0 H GLN A 110 0.971 -0.267 -5.373 0.26 0.00 H new ATOM 0 HA GLN A 110 3.500 -1.558 -5.148 0.48 0.00 H new ATOM 0 HB2 GLN A 110 1.406 -2.647 -5.922 0.59 0.00 H new ATOM 0 HB3 GLN A 110 1.368 -1.597 -7.325 0.59 0.00 H new ATOM 0 HG2 GLN A 110 3.599 -2.561 -8.021 0.86 0.00 H new ATOM 0 HG3 GLN A 110 3.468 -3.697 -6.693 0.86 0.00 H new ATOM 0 HE21 GLN A 110 3.438 -5.513 -8.057 0.58 0.00 H new ATOM 0 HE22 GLN A 110 2.034 -5.908 -9.054 0.58 0.00 H new ATOM 1743 N SER A 111 3.160 0.772 -7.430 0.10 0.00 N ATOM 1744 CA SER A 111 3.885 1.607 -8.383 0.14 0.00 C ATOM 1745 C SER A 111 5.016 2.369 -7.700 1.00 0.00 C ATOM 1746 O SER A 111 6.034 2.677 -8.323 0.31 0.00 O ATOM 1747 CB SER A 111 2.928 2.591 -9.058 0.41 0.00 C ATOM 1748 OG SER A 111 3.609 3.396 -10.005 0.12 0.00 O ATOM 0 H SER A 111 2.196 1.062 -7.267 0.10 0.00 H new ATOM 0 HA SER A 111 4.321 0.953 -9.138 0.14 0.00 H new ATOM 0 HB2 SER A 111 2.126 2.042 -9.552 0.41 0.00 H new ATOM 0 HB3 SER A 111 2.463 3.226 -8.304 0.41 0.00 H new ATOM 0 HG SER A 111 2.975 4.015 -10.424 0.12 0.00 H new ATOM 1754 N LEU A 112 4.835 2.670 -6.418 1.00 0.00 N ATOM 1755 CA LEU A 112 5.838 3.405 -5.655 0.26 0.00 C ATOM 1756 C LEU A 112 7.115 2.586 -5.508 0.05 0.00 C ATOM 1757 O LEU A 112 8.215 3.138 -5.459 1.00 0.00 O ATOM 1758 CB LEU A 112 5.286 3.783 -4.278 1.00 0.00 C ATOM 1759 CG LEU A 112 6.229 4.611 -3.400 0.06 0.00 C ATOM 1760 CD1 LEU A 112 5.439 5.586 -2.543 0.07 0.00 C ATOM 1761 CD2 LEU A 112 7.076 3.704 -2.521 0.11 0.00 C ATOM 0 H LEU A 112 4.003 2.416 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 112 6.080 4.318 -6.199 0.26 0.00 H new ATOM 0 HB2 LEU A 112 4.361 4.342 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.029 2.868 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 112 6.892 5.179 -4.052 0.06 0.00 H new ATOM 0 HD11 LEU A 112 6.125 6.166 -1.926 0.07 0.00 H new ATOM 0 HD12 LEU A 112 4.872 6.259 -3.186 0.07 0.00 H new ATOM 0 HD13 LEU A 112 4.753 5.033 -1.902 0.07 0.00 H new ATOM 0 HD21 LEU A 112 7.739 4.311 -1.905 0.11 0.00 H new ATOM 0 HD22 LEU A 112 6.426 3.110 -1.878 0.11 0.00 H new ATOM 0 HD23 LEU A 112 7.670 3.040 -3.149 0.11 0.00 H new ATOM 1773 N LEU A 113 6.964 1.267 -5.439 0.29 0.00 N ATOM 1774 CA LEU A 113 8.109 0.375 -5.297 1.00 0.00 C ATOM 1775 C LEU A 113 9.023 0.478 -6.507 1.00 0.00 C ATOM 1776 O LEU A 113 10.245 0.561 -6.373 0.13 0.00 O ATOM 1777 CB LEU A 113 7.649 -1.076 -5.145 1.00 0.00 C ATOM 1778 CG LEU A 113 6.393 -1.283 -4.303 1.00 0.00 C ATOM 1779 CD1 LEU A 113 6.076 -2.765 -4.195 0.86 0.00 C ATOM 1780 CD2 LEU A 113 6.566 -0.665 -2.925 1.00 0.00 C ATOM 0 H LEU A 113 6.062 0.793 -5.479 0.29 0.00 H new ATOM 0 HA LEU A 113 8.654 0.678 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.471 -1.488 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.461 -1.652 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 113 5.556 -0.785 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.178 -2.902 -3.592 0.86 0.00 H new ATOM 0 HD12 LEU A 113 5.910 -3.175 -5.191 0.86 0.00 H new ATOM 0 HD13 LEU A 113 6.912 -3.282 -3.724 0.86 0.00 H new ATOM 0 HD21 LEU A 113 5.660 -0.823 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.411 -1.133 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.751 0.404 -3.026 1.00 0.00 H new ATOM 1792 N ASP A 114 8.418 0.475 -7.688 1.00 0.00 N ATOM 1793 CA ASP A 114 9.173 0.552 -8.929 0.52 0.00 C ATOM 1794 C ASP A 114 9.944 1.864 -9.022 0.06 0.00 C ATOM 1795 O ASP A 114 11.169 1.870 -9.141 0.29 0.00 O ATOM 1796 CB ASP A 114 8.241 0.408 -10.132 0.12 0.00 C ATOM 1797 CG ASP A 114 8.984 0.477 -11.452 0.06 0.00 C ATOM 1798 OD1 ASP A 114 9.421 -0.585 -11.943 1.00 0.00 O ATOM 1799 OD2 ASP A 114 9.130 1.592 -11.994 1.00 0.00 O ATOM 0 H ASP A 114 7.407 0.420 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 114 9.890 -0.269 -8.935 0.52 0.00 H new ATOM 0 HB2 ASP A 114 7.711 -0.542 -10.066 0.12 0.00 H new ATOM 0 HB3 ASP A 114 7.488 1.195 -10.101 0.12 0.00 H new ATOM 1804 N GLU A 115 9.217 2.977 -8.966 1.00 0.00 N ATOM 1805 CA GLU A 115 9.831 4.295 -9.046 1.00 0.00 C ATOM 1806 C GLU A 115 9.130 5.284 -8.110 0.11 0.00 C ATOM 1807 O GLU A 115 8.063 5.804 -8.437 0.37 0.00 O ATOM 1808 CB GLU A 115 9.792 4.811 -10.487 1.00 0.00 C ATOM 1809 CG GLU A 115 8.431 4.669 -11.151 0.06 0.00 C ATOM 1810 CD GLU A 115 8.444 5.091 -12.606 0.11 0.00 C ATOM 1811 OE1 GLU A 115 8.756 4.241 -13.466 0.06 0.00 O ATOM 1812 OE2 GLU A 115 8.145 6.271 -12.886 0.08 0.00 O ATOM 0 H GLU A 115 8.202 2.990 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 115 10.870 4.206 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.083 5.862 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.532 4.271 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.103 3.632 -11.081 0.06 0.00 H new ATOM 0 HG3 GLU A 115 7.702 5.271 -10.609 0.06 0.00 H new ATOM 1886 N PRO A 121 9.769 14.066 0.254 0.06 0.00 N ATOM 1887 CA PRO A 121 10.405 12.988 1.018 0.13 0.00 C ATOM 1888 C PRO A 121 10.075 13.062 2.506 0.16 0.00 C ATOM 1889 O PRO A 121 10.374 14.057 3.167 0.07 0.00 O ATOM 1890 CB PRO A 121 11.908 13.210 0.797 1.00 0.00 C ATOM 1891 CG PRO A 121 12.004 14.141 -0.365 0.55 0.00 C ATOM 1892 CD PRO A 121 10.765 14.985 -0.319 0.06 0.00 C ATOM 0 HA PRO A 121 10.058 12.008 0.691 0.13 0.00 H new ATOM 0 HB2 PRO A 121 12.376 13.638 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.418 12.269 0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.900 14.758 -0.298 0.55 0.00 H new ATOM 0 HG3 PRO A 121 12.066 13.590 -1.303 0.55 0.00 H new ATOM 0 HD2 PRO A 121 10.902 15.871 0.300 0.06 0.00 H new ATOM 0 HD3 PRO A 121 10.474 15.331 -1.311 0.06 0.00 H new ATOM 1900 N ALA A 122 9.460 12.005 3.026 0.10 0.00 N ATOM 1901 CA ALA A 122 9.095 11.953 4.436 0.13 0.00 C ATOM 1902 C ALA A 122 10.288 11.538 5.290 0.21 0.00 C ATOM 1903 O ALA A 122 10.621 12.201 6.272 0.25 0.00 O ATOM 1904 CB ALA A 122 7.934 10.993 4.647 0.07 0.00 C ATOM 0 H ALA A 122 9.204 11.174 2.493 0.10 0.00 H new ATOM 0 HA ALA A 122 8.785 12.951 4.745 0.13 0.00 H new ATOM 0 HB1 ALA A 122 7.673 10.965 5.705 0.07 0.00 H new ATOM 0 HB2 ALA A 122 7.073 11.330 4.070 0.07 0.00 H new ATOM 0 HB3 ALA A 122 8.223 9.995 4.318 0.07 0.00 H new ATOM 1910 N ASN A 123 10.930 10.439 4.906 0.19 0.00 N ATOM 1911 CA ASN A 123 12.089 9.938 5.635 1.00 0.00 C ATOM 1912 C ASN A 123 13.379 10.438 4.992 1.00 0.00 C ATOM 1913 O ASN A 123 13.796 9.940 3.945 0.11 0.00 O ATOM 1914 CB ASN A 123 12.077 8.408 5.668 0.27 0.00 C ATOM 1915 CG ASN A 123 13.070 7.839 6.664 1.00 0.00 C ATOM 1916 OD1 ASN A 123 14.117 8.431 6.926 1.00 0.00 O ATOM 1917 ND2 ASN A 123 12.741 6.683 7.230 0.46 0.00 N ATOM 0 H ASN A 123 10.667 9.879 4.095 0.19 0.00 H new ATOM 0 HA ASN A 123 12.040 10.311 6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 123 11.075 8.061 5.921 0.27 0.00 H new ATOM 0 HB3 ASN A 123 12.305 8.025 4.673 0.27 0.00 H new ATOM 0 HD21 ASN A 123 13.367 6.252 7.911 0.46 0.00 H new ATOM 0 HD22 ASN A 123 11.863 6.226 6.984 0.46 0.00 H new ATOM 1924 N SER A 124 14.003 11.430 5.620 0.17 0.00 N ATOM 1925 CA SER A 124 15.243 12.001 5.107 0.24 0.00 C ATOM 1926 C SER A 124 16.406 11.024 5.256 0.38 0.00 C ATOM 1927 O SER A 124 17.341 11.037 4.459 0.10 0.00 O ATOM 1928 CB SER A 124 15.564 13.309 5.831 0.96 0.00 C ATOM 1929 OG SER A 124 14.529 14.259 5.653 1.00 0.00 O ATOM 0 H SER A 124 13.670 11.855 6.485 0.17 0.00 H new ATOM 0 HA SER A 124 15.103 12.204 4.045 0.24 0.00 H new ATOM 0 HB2 SER A 124 15.704 13.114 6.894 0.96 0.00 H new ATOM 0 HB3 SER A 124 16.503 13.715 5.455 0.96 0.00 H new ATOM 0 HG SER A 124 14.758 15.085 6.127 1.00 0.00 H new ATOM 1935 N GLN A 125 16.340 10.179 6.282 1.00 0.00 N ATOM 1936 CA GLN A 125 17.394 9.201 6.537 0.21 0.00 C ATOM 1937 C GLN A 125 17.480 8.173 5.413 1.00 0.00 C ATOM 1938 O GLN A 125 18.567 7.854 4.934 1.00 0.00 O ATOM 1939 CB GLN A 125 17.151 8.492 7.869 0.50 0.00 C ATOM 1940 CG GLN A 125 18.245 7.504 8.244 0.12 0.00 C ATOM 1941 CD GLN A 125 19.555 8.178 8.612 0.12 0.00 C ATOM 1942 OE1 GLN A 125 19.874 9.260 8.121 1.00 0.00 O ATOM 1943 NE2 GLN A 125 20.324 7.535 9.484 0.83 0.00 N ATOM 0 H GLN A 125 15.569 10.152 6.949 1.00 0.00 H new ATOM 0 HA GLN A 125 18.341 9.739 6.583 0.21 0.00 H new ATOM 0 HB2 GLN A 125 17.063 9.239 8.658 0.50 0.00 H new ATOM 0 HB3 GLN A 125 16.198 7.965 7.821 0.50 0.00 H new ATOM 0 HG2 GLN A 125 17.907 6.898 9.084 0.12 0.00 H new ATOM 0 HG3 GLN A 125 18.415 6.825 7.409 0.12 0.00 H new ATOM 0 HE21 GLN A 125 20.022 6.639 9.867 0.83 0.00 H new ATOM 0 HE22 GLN A 125 21.217 7.937 9.770 0.83 0.00 H new ATOM 1952 N ALA A 126 16.327 7.657 4.998 0.33 0.00 N ATOM 1953 CA ALA A 126 16.268 6.658 3.935 0.41 0.00 C ATOM 1954 C ALA A 126 16.935 7.160 2.658 0.53 0.00 C ATOM 1955 O ALA A 126 17.802 6.490 2.096 0.10 0.00 O ATOM 1956 CB ALA A 126 14.823 6.271 3.662 0.08 0.00 C ATOM 0 H ALA A 126 15.418 7.915 5.383 0.33 0.00 H new ATOM 0 HA ALA A 126 16.816 5.778 4.270 0.41 0.00 H new ATOM 0 HB1 ALA A 126 14.790 5.525 2.868 0.08 0.00 H new ATOM 0 HB2 ALA A 126 14.380 5.856 4.568 0.08 0.00 H new ATOM 0 HB3 ALA A 126 14.262 7.154 3.355 0.08 0.00 H new ATOM 1962 N ALA A 127 16.525 8.339 2.205 0.07 0.00 N ATOM 1963 CA ALA A 127 17.077 8.930 0.990 0.12 0.00 C ATOM 1964 C ALA A 127 18.536 9.338 1.180 0.18 0.00 C ATOM 1965 O ALA A 127 19.334 9.269 0.244 0.48 0.00 O ATOM 1966 CB ALA A 127 16.245 10.129 0.562 0.33 0.00 C ATOM 0 H ALA A 127 15.811 8.906 2.661 0.07 0.00 H new ATOM 0 HA ALA A 127 17.042 8.174 0.205 0.12 0.00 H new ATOM 0 HB1 ALA A 127 16.668 10.560 -0.345 0.33 0.00 H new ATOM 0 HB2 ALA A 127 15.220 9.811 0.369 0.33 0.00 H new ATOM 0 HB3 ALA A 127 16.249 10.877 1.355 0.33 0.00 H new ATOM 1972 N GLN A 128 18.877 9.764 2.392 1.00 0.00 N ATOM 1973 CA GLN A 128 20.241 10.191 2.697 0.24 0.00 C ATOM 1974 C GLN A 128 21.219 9.024 2.598 0.67 0.00 C ATOM 1975 O GLN A 128 22.342 9.184 2.122 0.46 0.00 O ATOM 1976 CB GLN A 128 20.301 10.808 4.096 0.06 0.00 C ATOM 1977 CG GLN A 128 21.666 11.374 4.453 0.14 0.00 C ATOM 1978 CD GLN A 128 21.684 12.044 5.815 0.28 0.00 C ATOM 1979 OE1 GLN A 128 20.847 11.562 6.726 0.10 0.00 O flip ATOM 1980 NE2 GLN A 128 22.445 12.984 6.045 0.11 0.00 N flip ATOM 0 H GLN A 128 18.230 9.823 3.179 1.00 0.00 H new ATOM 0 HA GLN A 128 20.532 10.941 1.962 0.24 0.00 H new ATOM 0 HB2 GLN A 128 19.558 11.602 4.166 0.06 0.00 H new ATOM 0 HB3 GLN A 128 20.028 10.050 4.830 0.06 0.00 H new ATOM 0 HG2 GLN A 128 22.403 10.571 4.438 0.14 0.00 H new ATOM 0 HG3 GLN A 128 21.965 12.096 3.693 0.14 0.00 H new ATOM 0 HE21 GLN A 128 23.072 13.323 5.315 0.11 0.00 H new ATOM 0 HE22 GLN A 128 22.448 13.424 6.965 0.11 0.00 H new ATOM 1989 N LEU A 129 20.786 7.851 3.047 0.36 0.00 N ATOM 1990 CA LEU A 129 21.628 6.662 3.009 0.09 0.00 C ATOM 1991 C LEU A 129 21.990 6.295 1.572 0.07 0.00 C ATOM 1992 O LEU A 129 23.032 5.691 1.320 0.98 0.00 O ATOM 1993 CB LEU A 129 20.923 5.487 3.693 1.00 0.00 C ATOM 1994 CG LEU A 129 20.815 5.598 5.216 0.05 0.00 C ATOM 1995 CD1 LEU A 129 19.911 4.506 5.769 0.55 0.00 C ATOM 1996 CD2 LEU A 129 22.193 5.518 5.854 0.16 0.00 C ATOM 0 H LEU A 129 19.858 7.699 3.441 0.36 0.00 H new ATOM 0 HA LEU A 129 22.549 6.883 3.548 0.09 0.00 H new ATOM 0 HB2 LEU A 129 19.919 5.393 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 129 21.457 4.569 3.447 1.00 0.00 H new ATOM 0 HG LEU A 129 20.376 6.565 5.459 0.05 0.00 H new ATOM 0 HD11 LEU A 129 19.847 4.601 6.853 0.55 0.00 H new ATOM 0 HD12 LEU A 129 18.915 4.604 5.336 0.55 0.00 H new ATOM 0 HD13 LEU A 129 20.323 3.529 5.514 0.55 0.00 H new ATOM 0 HD21 LEU A 129 22.098 5.599 6.937 0.16 0.00 H new ATOM 0 HD22 LEU A 129 22.657 4.565 5.600 0.16 0.00 H new ATOM 0 HD23 LEU A 129 22.814 6.333 5.483 0.16 0.00 H new ATOM 2008 N TYR A 130 21.121 6.667 0.637 0.07 0.00 N ATOM 2009 CA TYR A 130 21.348 6.381 -0.776 0.60 0.00 C ATOM 2010 C TYR A 130 22.615 7.068 -1.277 0.35 0.00 C ATOM 2011 O TYR A 130 23.298 6.558 -2.167 0.14 0.00 O ATOM 2012 CB TYR A 130 20.143 6.831 -1.604 0.12 0.00 C ATOM 2013 CG TYR A 130 20.283 6.561 -3.088 1.00 0.00 C ATOM 2014 CD1 TYR A 130 20.012 5.304 -3.615 0.09 0.00 C ATOM 2015 CD2 TYR A 130 20.686 7.566 -3.959 0.06 0.00 C ATOM 2016 CE1 TYR A 130 20.140 5.056 -4.969 0.06 0.00 C ATOM 2017 CE2 TYR A 130 20.815 7.324 -5.313 0.15 0.00 C ATOM 2018 CZ TYR A 130 20.541 6.069 -5.813 0.05 0.00 C ATOM 2019 OH TYR A 130 20.669 5.827 -7.161 0.08 0.00 O ATOM 0 H TYR A 130 20.254 7.167 0.832 0.07 0.00 H new ATOM 0 HA TYR A 130 21.477 5.305 -0.889 0.60 0.00 H new ATOM 0 HB2 TYR A 130 19.251 6.324 -1.235 0.12 0.00 H new ATOM 0 HB3 TYR A 130 19.989 7.899 -1.452 0.12 0.00 H new ATOM 0 HD1 TYR A 130 19.696 4.508 -2.956 0.09 0.00 H new ATOM 0 HD2 TYR A 130 20.902 8.551 -3.572 0.06 0.00 H new ATOM 0 HE1 TYR A 130 19.927 4.073 -5.363 0.06 0.00 H new ATOM 0 HE2 TYR A 130 21.129 8.115 -5.977 0.15 0.00 H new ATOM 0 HH TYR A 130 20.959 6.646 -7.614 0.08 0.00 H new ATOM 2029 N GLN A 131 22.924 8.228 -0.704 1.00 0.00 N ATOM 2030 CA GLN A 131 24.109 8.983 -1.097 0.99 0.00 C ATOM 2031 C GLN A 131 25.222 8.835 -0.063 1.00 0.00 C ATOM 2032 O GLN A 131 26.373 9.183 -0.320 0.81 0.00 O ATOM 2033 CB GLN A 131 23.763 10.463 -1.289 1.00 0.00 C ATOM 2034 CG GLN A 131 23.152 11.113 -0.058 0.12 0.00 C ATOM 2035 CD GLN A 131 22.833 12.581 -0.270 0.24 0.00 C ATOM 2036 OE1 GLN A 131 23.658 13.453 0.000 0.08 0.00 O ATOM 2037 NE2 GLN A 131 21.630 12.860 -0.759 0.09 0.00 N ATOM 0 H GLN A 131 22.371 8.665 0.033 1.00 0.00 H new ATOM 0 HA GLN A 131 24.465 8.578 -2.044 0.99 0.00 H new ATOM 0 HB2 GLN A 131 24.667 11.006 -1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 131 23.067 10.559 -2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 131 22.239 10.582 0.213 0.12 0.00 H new ATOM 0 HG3 GLN A 131 23.841 11.012 0.781 0.12 0.00 H new ATOM 0 HE21 GLN A 131 20.977 12.105 -0.969 0.09 0.00 H new ATOM 0 HE22 GLN A 131 21.359 13.829 -0.925 0.09 0.00 H new ATOM 2046 N GLU A 132 24.867 8.316 1.109 0.06 0.00 N ATOM 2047 CA GLU A 132 25.836 8.119 2.183 1.00 0.00 C ATOM 2048 C GLU A 132 26.382 6.695 2.172 1.00 0.00 C ATOM 2049 O GLU A 132 27.537 6.467 1.810 0.39 0.00 O ATOM 2050 CB GLU A 132 25.194 8.419 3.539 0.05 0.00 C ATOM 2051 CG GLU A 132 24.868 9.889 3.748 0.06 0.00 C ATOM 2052 CD GLU A 132 26.105 10.765 3.755 0.57 0.00 C ATOM 2053 OE1 GLU A 132 26.700 10.942 4.839 0.49 0.00 O ATOM 2054 OE2 GLU A 132 26.478 11.273 2.677 1.00 0.00 O ATOM 0 H GLU A 132 23.917 8.025 1.339 0.06 0.00 H new ATOM 0 HA GLU A 132 26.665 8.808 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.278 7.836 3.635 0.05 0.00 H new ATOM 0 HB3 GLU A 132 25.867 8.089 4.331 0.05 0.00 H new ATOM 0 HG2 GLU A 132 24.195 10.224 2.959 0.06 0.00 H new ATOM 0 HG3 GLU A 132 24.337 10.009 4.692 0.06 0.00 H new ATOM 2061 N ASN A 133 25.545 5.741 2.571 1.00 0.00 N ATOM 2062 CA ASN A 133 25.943 4.341 2.611 0.64 0.00 C ATOM 2063 C ASN A 133 24.931 3.464 1.879 0.07 0.00 C ATOM 2064 O ASN A 133 23.889 3.107 2.431 0.55 0.00 O ATOM 2065 CB ASN A 133 26.086 3.878 4.063 0.11 0.00 C ATOM 2066 CG ASN A 133 27.212 4.589 4.787 0.92 0.00 C ATOM 2067 OD1 ASN A 133 27.005 5.626 5.416 0.94 0.00 O ATOM 2068 ND2 ASN A 133 28.416 4.034 4.698 1.00 0.00 N ATOM 0 H ASN A 133 24.586 5.915 2.871 1.00 0.00 H new ATOM 0 HA ASN A 133 26.905 4.245 2.107 0.64 0.00 H new ATOM 0 HB2 ASN A 133 25.149 4.054 4.592 0.11 0.00 H new ATOM 0 HB3 ASN A 133 26.266 2.803 4.083 0.11 0.00 H new ATOM 0 HD21 ASN A 133 29.214 4.469 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 133 28.543 3.173 4.166 1.00 0.00 H new ATOM 2075 N LYS A 134 25.243 3.123 0.633 1.00 0.00 N ATOM 2076 CA LYS A 134 24.363 2.290 -0.178 0.64 0.00 C ATOM 2077 C LYS A 134 24.402 0.840 0.297 0.06 0.00 C ATOM 2078 O LYS A 134 23.469 0.073 0.061 0.12 0.00 O ATOM 2079 CB LYS A 134 24.767 2.369 -1.653 1.00 0.00 C ATOM 2080 CG LYS A 134 23.828 1.621 -2.587 0.42 0.00 C ATOM 2081 CD LYS A 134 24.288 1.718 -4.033 1.00 0.00 C ATOM 2082 CE LYS A 134 23.362 0.954 -4.967 0.74 0.00 C ATOM 2083 NZ LYS A 134 21.967 1.472 -4.914 0.11 0.00 N ATOM 0 H LYS A 134 26.101 3.412 0.162 1.00 0.00 H new ATOM 0 HA LYS A 134 23.345 2.663 -0.069 0.64 0.00 H new ATOM 0 HB2 LYS A 134 24.806 3.416 -1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 134 25.774 1.967 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 134 23.776 0.574 -2.290 0.42 0.00 H new ATOM 0 HG3 LYS A 134 22.821 2.029 -2.496 0.42 0.00 H new ATOM 0 HD2 LYS A 134 24.326 2.765 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 134 25.300 1.324 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 134 23.737 1.025 -5.988 0.74 0.00 H new ATOM 0 HE3 LYS A 134 23.367 -0.102 -4.699 0.74 0.00 H new ATOM 0 HZ1 LYS A 134 21.422 1.083 -5.710 0.11 0.00 H new ATOM 0 HZ2 LYS A 134 21.524 1.185 -4.018 0.11 0.00 H new ATOM 0 HZ3 LYS A 134 21.980 2.510 -4.977 0.11 0.00 H new ATOM 2097 N ARG A 135 25.488 0.473 0.971 1.00 0.00 N ATOM 2098 CA ARG A 135 25.649 -0.883 1.482 0.05 0.00 C ATOM 2099 C ARG A 135 24.684 -1.148 2.632 0.31 0.00 C ATOM 2100 O ARG A 135 24.246 -2.280 2.839 0.59 0.00 O ATOM 2101 CB ARG A 135 27.092 -1.111 1.940 0.88 0.00 C ATOM 2102 CG ARG A 135 27.347 -2.512 2.475 1.00 0.00 C ATOM 2103 CD ARG A 135 28.769 -2.663 2.990 0.51 0.00 C ATOM 2104 NE ARG A 135 29.758 -2.525 1.924 0.45 0.00 N ATOM 2105 CZ ARG A 135 31.061 -2.735 2.097 0.43 0.00 C ATOM 2106 NH1 ARG A 135 31.528 -3.082 3.289 0.62 0.00 N ATOM 2107 NH2 ARG A 135 31.897 -2.596 1.078 0.34 0.00 N ATOM 0 H ARG A 135 26.269 1.096 1.176 1.00 0.00 H new ATOM 0 HA ARG A 135 25.421 -1.580 0.675 0.05 0.00 H new ATOM 0 HB2 ARG A 135 27.764 -0.923 1.103 0.88 0.00 H new ATOM 0 HB3 ARG A 135 27.337 -0.385 2.715 0.88 0.00 H new ATOM 0 HG2 ARG A 135 26.643 -2.729 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 135 27.165 -3.242 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 135 28.957 -1.913 3.758 0.51 0.00 H new ATOM 0 HD3 ARG A 135 28.881 -3.638 3.463 0.51 0.00 H new ATOM 0 HE ARG A 135 29.432 -2.253 0.996 0.45 0.00 H new ATOM 0 HH11 ARG A 135 30.888 -3.189 4.076 0.62 0.00 H new ATOM 0 HH12 ARG A 135 32.527 -3.242 3.418 0.62 0.00 H new ATOM 0 HH21 ARG A 135 31.542 -2.328 0.160 0.34 0.00 H new ATOM 0 HH22 ARG A 135 32.895 -2.757 1.212 0.34 0.00 H new ATOM 2121 N GLU A 136 24.355 -0.100 3.383 1.00 0.00 N ATOM 2122 CA GLU A 136 23.441 -0.230 4.510 0.34 0.00 C ATOM 2123 C GLU A 136 21.997 -0.303 4.024 0.15 0.00 C ATOM 2124 O GLU A 136 21.138 -0.893 4.679 0.80 0.00 O ATOM 2125 CB GLU A 136 23.611 0.944 5.475 1.00 0.00 C ATOM 2126 CG GLU A 136 22.897 0.751 6.803 0.13 0.00 C ATOM 2127 CD GLU A 136 23.005 1.963 7.706 0.08 0.00 C ATOM 2128 OE1 GLU A 136 24.039 2.104 8.391 1.00 0.00 O ATOM 2129 OE2 GLU A 136 22.053 2.773 7.727 1.00 0.00 O ATOM 0 H GLU A 136 24.707 0.845 3.231 1.00 0.00 H new ATOM 0 HA GLU A 136 23.679 -1.154 5.037 0.34 0.00 H new ATOM 0 HB2 GLU A 136 24.674 1.098 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 136 23.237 1.851 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 136 21.845 0.534 6.617 0.13 0.00 H new ATOM 0 HG3 GLU A 136 23.316 -0.116 7.314 0.13 0.00 H new ATOM 2136 N TYR A 137 21.741 0.301 2.867 1.00 0.00 N ATOM 2137 CA TYR A 137 20.404 0.308 2.282 1.00 0.00 C ATOM 2138 C TYR A 137 20.035 -1.076 1.755 0.28 0.00 C ATOM 2139 O TYR A 137 18.940 -1.575 2.012 0.29 0.00 O ATOM 2140 CB TYR A 137 20.327 1.338 1.151 0.10 0.00 C ATOM 2141 CG TYR A 137 18.948 1.473 0.539 0.87 0.00 C ATOM 2142 CD1 TYR A 137 18.009 2.338 1.086 1.00 0.00 C ATOM 2143 CD2 TYR A 137 18.588 0.736 -0.582 0.08 0.00 C ATOM 2144 CE1 TYR A 137 16.748 2.466 0.531 1.00 0.00 C ATOM 2145 CE2 TYR A 137 17.329 0.859 -1.143 0.50 0.00 C ATOM 2146 CZ TYR A 137 16.415 1.725 -0.582 1.00 0.00 C ATOM 2147 OH TYR A 137 15.161 1.849 -1.136 0.06 0.00 O ATOM 0 H TYR A 137 22.444 0.793 2.315 1.00 0.00 H new ATOM 0 HA TYR A 137 19.692 0.581 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 137 20.641 2.309 1.535 0.10 0.00 H new ATOM 0 HB3 TYR A 137 21.035 1.060 0.370 0.10 0.00 H new ATOM 0 HD1 TYR A 137 18.267 2.920 1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 137 19.302 0.056 -1.023 0.08 0.00 H new ATOM 0 HE1 TYR A 137 16.029 3.143 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 137 17.064 0.280 -2.015 0.50 0.00 H new ATOM 0 HH TYR A 137 15.088 1.259 -1.915 0.06 0.00 H new ATOM 2157 N GLU A 138 20.956 -1.689 1.016 0.09 0.00 N ATOM 2158 CA GLU A 138 20.727 -3.014 0.448 1.00 0.00 C ATOM 2159 C GLU A 138 20.613 -4.070 1.543 1.00 0.00 C ATOM 2160 O GLU A 138 19.864 -5.039 1.406 0.87 0.00 O ATOM 2161 CB GLU A 138 21.857 -3.382 -0.519 0.92 0.00 C ATOM 2162 CG GLU A 138 23.243 -3.289 0.099 0.28 0.00 C ATOM 2163 CD GLU A 138 24.340 -3.694 -0.867 1.00 0.00 C ATOM 2164 OE1 GLU A 138 24.761 -2.842 -1.676 0.08 0.00 O ATOM 2165 OE2 GLU A 138 24.780 -4.861 -0.811 0.81 0.00 O ATOM 0 H GLU A 138 21.868 -1.289 0.797 0.09 0.00 H new ATOM 0 HA GLU A 138 19.785 -2.986 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 138 21.697 -4.398 -0.881 0.92 0.00 H new ATOM 0 HB3 GLU A 138 21.810 -2.723 -1.386 0.92 0.00 H new ATOM 0 HG2 GLU A 138 23.419 -2.267 0.435 0.28 0.00 H new ATOM 0 HG3 GLU A 138 23.287 -3.927 0.981 0.28 0.00 H new ATOM 2172 N LYS A 139 21.363 -3.887 2.623 0.05 0.00 N ATOM 2173 CA LYS A 139 21.333 -4.826 3.740 1.00 0.00 C ATOM 2174 C LYS A 139 20.061 -4.655 4.564 0.20 0.00 C ATOM 2175 O LYS A 139 19.536 -5.622 5.117 0.33 0.00 O ATOM 2176 CB LYS A 139 22.565 -4.643 4.627 1.00 0.00 C ATOM 2177 CG LYS A 139 23.853 -5.120 3.977 0.24 0.00 C ATOM 2178 CD LYS A 139 25.030 -5.013 4.931 0.41 0.00 C ATOM 2179 CE LYS A 139 26.321 -5.483 4.280 0.50 0.00 C ATOM 2180 NZ LYS A 139 27.488 -5.340 5.195 1.00 0.00 N ATOM 0 H LYS A 139 21.998 -3.099 2.750 0.05 0.00 H new ATOM 0 HA LYS A 139 21.342 -5.836 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 139 22.665 -3.588 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 139 22.415 -5.185 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 139 23.738 -6.155 3.654 0.24 0.00 H new ATOM 0 HG3 LYS A 139 24.052 -4.528 3.084 0.24 0.00 H new ATOM 0 HD2 LYS A 139 25.142 -3.979 5.258 0.41 0.00 H new ATOM 0 HD3 LYS A 139 24.833 -5.609 5.822 0.41 0.00 H new ATOM 0 HE2 LYS A 139 26.219 -6.527 3.982 0.50 0.00 H new ATOM 0 HE3 LYS A 139 26.500 -4.908 3.371 0.50 0.00 H new ATOM 0 HZ1 LYS A 139 28.349 -5.671 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 27.602 -4.341 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 27.329 -5.909 6.051 1.00 0.00 H new ATOM 2194 N ARG A 140 19.571 -3.422 4.642 0.10 0.00 N ATOM 2195 CA ARG A 140 18.361 -3.127 5.399 0.26 0.00 C ATOM 2196 C ARG A 140 17.125 -3.666 4.683 0.90 0.00 C ATOM 2197 O ARG A 140 16.212 -4.196 5.315 1.00 0.00 O ATOM 2198 CB ARG A 140 18.220 -1.616 5.616 0.77 0.00 C ATOM 2199 CG ARG A 140 16.950 -1.219 6.355 0.13 0.00 C ATOM 2200 CD ARG A 140 16.966 -1.704 7.796 0.05 0.00 C ATOM 2201 NE ARG A 140 17.923 -0.963 8.615 0.16 0.00 N ATOM 2202 CZ ARG A 140 18.425 -1.420 9.758 0.11 0.00 C ATOM 2203 NH1 ARG A 140 18.080 -2.620 10.206 1.00 0.00 N ATOM 2204 NH2 ARG A 140 19.278 -0.678 10.453 1.00 0.00 N ATOM 0 H ARG A 140 19.994 -2.611 4.190 0.10 0.00 H new ATOM 0 HA ARG A 140 18.443 -3.619 6.368 0.26 0.00 H new ATOM 0 HB2 ARG A 140 19.083 -1.256 6.176 0.77 0.00 H new ATOM 0 HB3 ARG A 140 18.238 -1.116 4.648 0.77 0.00 H new ATOM 0 HG2 ARG A 140 16.842 -0.135 6.337 0.13 0.00 H new ATOM 0 HG3 ARG A 140 16.084 -1.635 5.840 0.13 0.00 H new ATOM 0 HD2 ARG A 140 15.968 -1.602 8.223 0.05 0.00 H new ATOM 0 HD3 ARG A 140 17.215 -2.765 7.818 0.05 0.00 H new ATOM 0 HE ARG A 140 18.223 -0.043 8.291 0.16 0.00 H new ATOM 0 HH11 ARG A 140 17.428 -3.195 9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 140 18.467 -2.968 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 140 19.549 0.244 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 140 19.663 -1.029 11.330 1.00 0.00 H new ATOM 2218 N VAL A 141 17.104 -3.526 3.360 0.08 0.00 N ATOM 2219 CA VAL A 141 15.979 -3.999 2.562 1.00 0.00 C ATOM 2220 C VAL A 141 15.965 -5.524 2.481 0.17 0.00 C ATOM 2221 O VAL A 141 14.903 -6.141 2.426 0.08 0.00 O ATOM 2222 CB VAL A 141 16.012 -3.414 1.137 0.08 0.00 C ATOM 2223 CG1 VAL A 141 17.304 -3.785 0.427 1.00 0.00 C ATOM 2224 CG2 VAL A 141 14.807 -3.884 0.337 0.05 0.00 C ATOM 0 H VAL A 141 17.852 -3.090 2.820 0.08 0.00 H new ATOM 0 HA VAL A 141 15.072 -3.658 3.061 1.00 0.00 H new ATOM 0 HB VAL A 141 15.970 -2.328 1.216 0.08 0.00 H new ATOM 0 HG11 VAL A 141 17.303 -3.360 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 141 18.153 -3.391 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 141 17.385 -4.870 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 141 14.849 -3.460 -0.666 0.05 0.00 H new ATOM 0 HG22 VAL A 141 14.815 -4.972 0.272 0.05 0.00 H new ATOM 0 HG23 VAL A 141 13.892 -3.557 0.831 0.05 0.00 H new ATOM 2234 N SER A 142 17.150 -6.124 2.475 0.08 0.00 N ATOM 2235 CA SER A 142 17.269 -7.576 2.404 0.53 0.00 C ATOM 2236 C SER A 142 16.699 -8.224 3.661 1.00 0.00 C ATOM 2237 O SER A 142 16.192 -9.344 3.616 0.10 0.00 O ATOM 2238 CB SER A 142 18.731 -7.984 2.223 0.19 0.00 C ATOM 2239 OG SER A 142 18.861 -9.393 2.160 1.00 0.00 O ATOM 0 H SER A 142 18.041 -5.629 2.518 0.08 0.00 H new ATOM 0 HA SER A 142 16.697 -7.922 1.543 0.53 0.00 H new ATOM 0 HB2 SER A 142 19.126 -7.538 1.311 0.19 0.00 H new ATOM 0 HB3 SER A 142 19.325 -7.597 3.051 0.19 0.00 H new ATOM 0 HG SER A 142 19.805 -9.630 2.043 1.00 0.00 H new ATOM 2245 N ALA A 143 16.789 -7.512 4.779 0.90 0.00 N ATOM 2246 CA ALA A 143 16.285 -8.016 6.050 0.31 0.00 C ATOM 2247 C ALA A 143 14.759 -8.013 6.077 0.24 0.00 C ATOM 2248 O ALA A 143 14.134 -9.040 6.345 0.21 0.00 O ATOM 2249 CB ALA A 143 16.838 -7.189 7.201 0.09 0.00 C ATOM 0 H ALA A 143 17.207 -6.583 4.830 0.90 0.00 H new ATOM 0 HA ALA A 143 16.621 -9.047 6.163 0.31 0.00 H new ATOM 0 HB1 ALA A 143 16.454 -7.576 8.145 0.09 0.00 H new ATOM 0 HB2 ALA A 143 17.926 -7.248 7.201 0.09 0.00 H new ATOM 0 HB3 ALA A 143 16.531 -6.150 7.083 0.09 0.00 H new ATOM 2255 N ILE A 144 14.165 -6.855 5.796 0.06 0.00 N ATOM 2256 CA ILE A 144 12.713 -6.724 5.790 1.00 0.00 C ATOM 2257 C ILE A 144 12.080 -7.669 4.774 0.12 0.00 C ATOM 2258 O ILE A 144 10.960 -8.143 4.964 0.30 0.00 O ATOM 2259 CB ILE A 144 12.277 -5.276 5.476 1.00 0.00 C ATOM 2260 CG1 ILE A 144 12.778 -4.856 4.091 1.00 0.00 C ATOM 2261 CG2 ILE A 144 12.792 -4.326 6.547 0.17 0.00 C ATOM 2262 CD1 ILE A 144 12.274 -3.499 3.645 1.00 0.00 C ATOM 0 H ILE A 144 14.667 -5.996 5.570 0.06 0.00 H new ATOM 0 HA ILE A 144 12.368 -6.987 6.790 1.00 0.00 H new ATOM 0 HB ILE A 144 11.188 -5.231 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 144 13.868 -4.845 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 144 12.471 -5.605 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 144 12.477 -3.309 6.313 0.17 0.00 H new ATOM 0 HG22 ILE A 144 12.388 -4.617 7.516 0.17 0.00 H new ATOM 0 HG23 ILE A 144 13.881 -4.370 6.580 0.17 0.00 H new ATOM 0 HD11 ILE A 144 12.671 -3.271 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 144 11.185 -3.510 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 144 12.603 -2.738 4.353 1.00 0.00 H new ATOM 2274 N VAL A 145 12.806 -7.937 3.693 0.21 0.00 N ATOM 2275 CA VAL A 145 12.323 -8.829 2.647 0.11 0.00 C ATOM 2276 C VAL A 145 12.473 -10.290 3.062 1.00 0.00 C ATOM 2277 O VAL A 145 11.597 -11.112 2.797 1.00 0.00 O ATOM 2278 CB VAL A 145 13.068 -8.589 1.316 0.16 0.00 C ATOM 2279 CG1 VAL A 145 12.811 -9.720 0.331 0.15 0.00 C ATOM 2280 CG2 VAL A 145 12.661 -7.255 0.712 1.00 0.00 C ATOM 0 H VAL A 145 13.733 -7.548 3.519 0.21 0.00 H new ATOM 0 HA VAL A 145 11.266 -8.609 2.499 0.11 0.00 H new ATOM 0 HB VAL A 145 14.137 -8.565 1.528 0.16 0.00 H new ATOM 0 HG11 VAL A 145 13.348 -9.524 -0.597 0.15 0.00 H new ATOM 0 HG12 VAL A 145 13.157 -10.661 0.759 0.15 0.00 H new ATOM 0 HG13 VAL A 145 11.743 -9.787 0.124 0.15 0.00 H new ATOM 0 HG21 VAL A 145 13.195 -7.102 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 145 11.588 -7.254 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 145 12.908 -6.451 1.406 1.00 0.00 H new ATOM 2290 N GLU A 146 13.587 -10.603 3.717 0.17 0.00 N ATOM 2291 CA GLU A 146 13.853 -11.965 4.170 0.06 0.00 C ATOM 2292 C GLU A 146 12.792 -12.424 5.168 0.06 0.00 C ATOM 2293 O GLU A 146 12.458 -13.608 5.232 1.00 0.00 O ATOM 2294 CB GLU A 146 15.242 -12.050 4.809 0.94 0.00 C ATOM 2295 CG GLU A 146 15.634 -13.457 5.233 0.06 0.00 C ATOM 2296 CD GLU A 146 15.675 -14.427 4.068 0.16 0.00 C ATOM 2297 OE1 GLU A 146 16.740 -14.539 3.425 0.06 0.00 O ATOM 2298 OE2 GLU A 146 14.641 -15.075 3.798 0.99 0.00 O ATOM 0 H GLU A 146 14.320 -9.932 3.946 0.17 0.00 H new ATOM 0 HA GLU A 146 13.819 -12.623 3.302 0.06 0.00 H new ATOM 0 HB2 GLU A 146 15.981 -11.674 4.102 0.94 0.00 H new ATOM 0 HB3 GLU A 146 15.272 -11.396 5.680 0.94 0.00 H new ATOM 0 HG2 GLU A 146 16.613 -13.429 5.712 0.06 0.00 H new ATOM 0 HG3 GLU A 146 14.925 -13.819 5.978 0.06 0.00 H new ATOM 2305 N GLN A 147 12.268 -11.480 5.945 0.09 0.00 N ATOM 2306 CA GLN A 147 11.245 -11.788 6.940 0.49 0.00 C ATOM 2307 C GLN A 147 9.942 -12.211 6.267 0.34 0.00 C ATOM 2308 O GLN A 147 9.275 -13.144 6.716 0.05 0.00 O ATOM 2309 CB GLN A 147 10.997 -10.576 7.840 1.00 0.00 C ATOM 2310 CG GLN A 147 12.202 -10.181 8.678 0.17 0.00 C ATOM 2311 CD GLN A 147 12.586 -11.245 9.687 1.00 0.00 C ATOM 2312 OE1 GLN A 147 13.385 -12.136 9.394 0.18 0.00 O ATOM 2313 NE2 GLN A 147 12.019 -11.159 10.884 1.00 0.00 N ATOM 0 H GLN A 147 12.535 -10.496 5.905 0.09 0.00 H new ATOM 0 HA GLN A 147 11.605 -12.617 7.550 0.49 0.00 H new ATOM 0 HB2 GLN A 147 10.703 -9.729 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 147 10.159 -10.792 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 147 13.049 -9.987 8.020 0.17 0.00 H new ATOM 0 HG3 GLN A 147 11.986 -9.250 9.202 0.17 0.00 H new ATOM 0 HE21 GLN A 147 11.362 -10.405 11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 147 12.240 -11.847 11.604 1.00 0.00 H new ATOM 2322 N SER A 148 9.587 -11.522 5.187 0.07 0.00 N ATOM 2323 CA SER A 148 8.363 -11.825 4.454 0.25 0.00 C ATOM 2324 C SER A 148 8.658 -12.676 3.225 1.00 0.00 C ATOM 2325 O SER A 148 7.815 -12.818 2.339 0.30 0.00 O ATOM 2326 CB SER A 148 7.663 -10.531 4.034 0.43 0.00 C ATOM 2327 OG SER A 148 7.328 -9.740 5.161 0.67 0.00 O ATOM 0 H SER A 148 10.130 -10.750 4.800 0.07 0.00 H new ATOM 0 HA SER A 148 7.706 -12.390 5.115 0.25 0.00 H new ATOM 0 HB2 SER A 148 8.312 -9.963 3.368 0.43 0.00 H new ATOM 0 HB3 SER A 148 6.760 -10.769 3.472 0.43 0.00 H new ATOM 0 HG SER A 148 6.884 -8.919 4.864 0.67 0.00 H new ATOM 2333 N TRP A 149 9.860 -13.244 3.176 1.00 0.00 N ATOM 2334 CA TRP A 149 10.264 -14.081 2.050 0.16 0.00 C ATOM 2335 C TRP A 149 9.731 -15.500 2.214 1.00 0.00 C ATOM 2336 O TRP A 149 10.278 -16.297 2.977 0.05 0.00 O ATOM 2337 CB TRP A 149 11.790 -14.105 1.926 0.24 0.00 C ATOM 2338 CG TRP A 149 12.270 -14.318 0.521 0.43 0.00 C ATOM 2339 CD1 TRP A 149 12.430 -13.363 -0.441 0.07 0.00 C ATOM 2340 CD2 TRP A 149 12.652 -15.561 -0.078 1.00 0.00 C ATOM 2341 NE1 TRP A 149 12.888 -13.936 -1.602 1.00 0.00 N ATOM 2342 CE2 TRP A 149 13.033 -15.285 -1.404 1.00 0.00 C ATOM 2343 CE3 TRP A 149 12.711 -16.883 0.378 0.15 0.00 C ATOM 2344 CZ2 TRP A 149 13.466 -16.279 -2.278 1.00 0.00 C ATOM 2345 CZ3 TRP A 149 13.141 -17.869 -0.492 1.00 0.00 C ATOM 2346 CH2 TRP A 149 13.514 -17.562 -1.807 0.15 0.00 C ATOM 0 H TRP A 149 10.570 -13.140 3.901 1.00 0.00 H new ATOM 0 HA TRP A 149 9.842 -13.655 1.140 0.16 0.00 H new ATOM 0 HB2 TRP A 149 12.192 -13.164 2.301 0.24 0.00 H new ATOM 0 HB3 TRP A 149 12.186 -14.897 2.562 0.24 0.00 H new ATOM 0 HD1 TRP A 149 12.226 -12.311 -0.309 0.07 0.00 H new ATOM 0 HE1 TRP A 149 13.088 -13.439 -2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 149 12.426 -17.129 1.390 0.15 0.00 H new ATOM 0 HZ2 TRP A 149 13.754 -16.045 -3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 13.190 -18.893 -0.152 1.00 0.00 H new ATOM 0 HH2 TRP A 149 13.846 -18.354 -2.462 0.15 0.00 H new