USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 822 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 134 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 212 MET CE :methyl -126:sc= -10.8! (180deg=-14!) USER MOD Set 1.3: A 219 GLN : amide:sc= -2.14! X(o=-13!,f=-13) USER MOD Set 2.1: A 159 GLN : amide:sc= 0 K(o=-10,f=-6.3) USER MOD Set 2.2: A 161 TYR OH : rot 180:sc= 0.0523 USER MOD Set 2.3: A 185 GLN : amide:sc= -3.52! K(o=-10!,f=-6.3) USER MOD Set 2.4: A 186 HIS : no HE2:sc= -6.59! C(o=-10!,f=-6.3!) USER MOD Set 3.1: A 172 ASN : amide:sc= -0.121 K(o=-0.14,f=-2.5!) USER MOD Set 3.2: A 176 HIS : no HD1:sc= -0.0181 X(o=-0.14,f=-0.12) USER MOD Set 4.1: A 168 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 173 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Set 5.1: A 162 TYR OH : rot 150:sc= -0.898 USER MOD Set 5.2: A 216 GLN : amide:sc= -3.54 K(o=-4.4,f=-1.2) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl -171:sc= -4.27! (180deg=-4.5!) USER MOD Single : A 131 SER OG : rot 55:sc= 1.01 USER MOD Single : A 133 MET CE :methyl -124:sc= -10.2! (180deg=-11.8!) USER MOD Single : A 139 HIS : no HE2:sc= -0.987 K(o=-0.99,f=-4.2!) USER MOD Single : A 142 ASN : amide:sc= -0.275 K(o=-0.27,f=-1.6!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 TYR OH : rot 180:sc= 1.3 USER MOD Single : A 149 TYR OH : rot 41:sc= -0.619! USER MOD Single : A 152 ASN : amide:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 153 MET CE :methyl -105:sc= -12.8! (180deg=-13.2!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 63:sc= 1.22 USER MOD Single : A 158 ASN : amide:sc= -3.24! C(o=-3.2!,f=-2.8!) USER MOD Single : A 167 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.3) USER MOD Single : A 169 SER OG : rot -32:sc= 0.544 USER MOD Single : A 170 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.049) USER MOD Single : A 171 GLN : amide:sc= -18.6! C(o=-19!,f=-17!) USER MOD Single : A 180 ASN : amide:sc= -0.547 K(o=-0.55,f=-3!) USER MOD Single : A 182 THR OG1 : rot -88:sc= -4.96! USER MOD Single : A 184 LYS NZ :NH3+ 165:sc=-0.00404 (180deg=-0.07) USER MOD Single : A 187 THR OG1 : rot -38:sc= 0.846 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 191 THR OG1 : rot 74:sc= -0.487 USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.17) USER MOD Single : A 196 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.0033) USER MOD Single : A 198 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 MET CE :methyl -159:sc= -6.99! (180deg=-9.91!) USER MOD Single : A 211 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.45) USER MOD Single : A 215 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 218 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.026) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 GLN : amide:sc= -0.0922 K(o=-0.092,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 124 5.036 -12.101 0.221 1.00 1.95 N ATOM 2 CA LEU A 124 4.836 -12.043 1.692 1.00 1.27 C ATOM 3 C LEU A 124 5.886 -12.908 2.388 1.00 1.45 C ATOM 4 O LEU A 124 6.658 -13.594 1.723 1.00 2.10 O ATOM 5 CB LEU A 124 3.424 -12.522 2.073 1.00 1.02 C ATOM 6 CG LEU A 124 2.251 -11.725 1.476 1.00 1.01 C ATOM 7 CD1 LEU A 124 2.485 -10.232 1.609 1.00 1.54 C ATOM 8 CD2 LEU A 124 2.005 -12.107 0.024 1.00 1.39 C ATOM 0 HA LEU A 124 4.944 -11.008 2.016 1.00 1.27 H new ATOM 0 HB2 LEU A 124 3.321 -13.563 1.767 1.00 1.02 H new ATOM 0 HB3 LEU A 124 3.336 -12.499 3.159 1.00 1.02 H new ATOM 0 HG LEU A 124 1.356 -11.980 2.044 1.00 1.01 H new ATOM 0 HD11 LEU A 124 1.641 -9.692 1.179 1.00 1.54 H new ATOM 0 HD12 LEU A 124 2.584 -9.972 2.663 1.00 1.54 H new ATOM 0 HD13 LEU A 124 3.398 -9.958 1.080 1.00 1.54 H new ATOM 0 HD21 LEU A 124 1.170 -11.526 -0.369 1.00 1.39 H new ATOM 0 HD22 LEU A 124 2.899 -11.899 -0.563 1.00 1.39 H new ATOM 0 HD23 LEU A 124 1.769 -13.169 -0.038 1.00 1.39 H new ATOM 20 N GLY A 125 5.925 -12.859 3.715 1.00 1.53 N ATOM 21 CA GLY A 125 6.894 -13.636 4.467 1.00 1.74 C ATOM 22 C GLY A 125 8.262 -12.991 4.456 1.00 1.74 C ATOM 23 O GLY A 125 8.616 -12.239 5.365 1.00 2.56 O ATOM 0 H GLY A 125 5.299 -12.292 4.287 1.00 1.53 H new ATOM 0 HA2 GLY A 125 6.552 -13.745 5.496 1.00 1.74 H new ATOM 0 HA3 GLY A 125 6.962 -14.639 4.045 1.00 1.74 H new ATOM 27 N GLY A 126 9.008 -13.252 3.395 1.00 1.12 N ATOM 28 CA GLY A 126 10.348 -12.700 3.259 1.00 1.08 C ATOM 29 C GLY A 126 10.308 -11.305 2.672 1.00 0.96 C ATOM 30 O GLY A 126 10.981 -11.007 1.685 1.00 1.39 O ATOM 0 H GLY A 126 8.711 -13.841 2.617 1.00 1.12 H new ATOM 0 HA2 GLY A 126 10.834 -12.673 4.234 1.00 1.08 H new ATOM 0 HA3 GLY A 126 10.949 -13.349 2.621 1.00 1.08 H new ATOM 34 N TYR A 127 9.525 -10.453 3.307 1.00 0.57 N ATOM 35 CA TYR A 127 9.182 -9.145 2.802 1.00 0.44 C ATOM 36 C TYR A 127 8.936 -8.254 3.980 1.00 0.40 C ATOM 37 O TYR A 127 7.943 -8.405 4.695 1.00 0.60 O ATOM 38 CB TYR A 127 7.919 -9.182 1.927 1.00 0.46 C ATOM 39 CG TYR A 127 8.082 -9.832 0.569 1.00 0.65 C ATOM 40 CD1 TYR A 127 8.124 -11.214 0.443 1.00 1.09 C ATOM 41 CD2 TYR A 127 8.215 -9.069 -0.581 1.00 1.10 C ATOM 42 CE1 TYR A 127 8.292 -11.810 -0.792 1.00 1.30 C ATOM 43 CE2 TYR A 127 8.385 -9.659 -1.817 1.00 1.26 C ATOM 44 CZ TYR A 127 8.339 -11.025 -1.930 1.00 1.17 C ATOM 45 OH TYR A 127 8.599 -11.617 -3.145 1.00 1.41 O ATOM 0 H TYR A 127 9.101 -10.661 4.211 1.00 0.57 H new ATOM 0 HA TYR A 127 10.000 -8.779 2.182 1.00 0.44 H new ATOM 0 HB2 TYR A 127 7.137 -9.711 2.472 1.00 0.46 H new ATOM 0 HB3 TYR A 127 7.570 -8.160 1.781 1.00 0.46 H new ATOM 0 HD1 TYR A 127 8.024 -11.832 1.323 1.00 1.09 H new ATOM 0 HD2 TYR A 127 8.185 -7.992 -0.508 1.00 1.10 H new ATOM 0 HE1 TYR A 127 8.386 -12.883 -0.869 1.00 1.30 H new ATOM 0 HE2 TYR A 127 8.553 -9.048 -2.691 1.00 1.26 H new ATOM 0 HH TYR A 127 8.598 -10.935 -3.848 1.00 1.41 H new ATOM 55 N MET A 128 9.886 -7.396 4.203 1.00 0.42 N ATOM 56 CA MET A 128 9.822 -6.403 5.233 1.00 0.37 C ATOM 57 C MET A 128 8.518 -5.638 5.174 1.00 0.31 C ATOM 58 O MET A 128 8.273 -4.852 4.259 1.00 0.30 O ATOM 59 CB MET A 128 11.008 -5.486 5.047 1.00 0.45 C ATOM 60 CG MET A 128 11.472 -4.862 6.322 1.00 0.90 C ATOM 61 SD MET A 128 10.597 -3.337 6.731 1.00 1.18 S ATOM 62 CE MET A 128 10.406 -2.601 5.106 1.00 0.45 C ATOM 0 H MET A 128 10.749 -7.367 3.660 1.00 0.42 H new ATOM 0 HA MET A 128 9.858 -6.871 6.217 1.00 0.37 H new ATOM 0 HB2 MET A 128 11.830 -6.050 4.605 1.00 0.45 H new ATOM 0 HB3 MET A 128 10.744 -4.700 4.340 1.00 0.45 H new ATOM 0 HG2 MET A 128 11.343 -5.576 7.136 1.00 0.90 H new ATOM 0 HG3 MET A 128 12.539 -4.652 6.248 1.00 0.90 H new ATOM 0 HE1 MET A 128 10.028 -1.584 5.209 1.00 0.45 H new ATOM 0 HE2 MET A 128 11.371 -2.580 4.601 1.00 0.45 H new ATOM 0 HE3 MET A 128 9.702 -3.192 4.519 1.00 0.45 H new ATOM 72 N LEU A 129 7.661 -5.905 6.140 1.00 0.32 N ATOM 73 CA LEU A 129 6.402 -5.210 6.231 1.00 0.28 C ATOM 74 C LEU A 129 6.673 -3.719 6.191 1.00 0.26 C ATOM 75 O LEU A 129 7.441 -3.205 7.007 1.00 0.30 O ATOM 76 CB LEU A 129 5.668 -5.605 7.522 1.00 0.33 C ATOM 77 CG LEU A 129 4.270 -5.013 7.720 1.00 0.35 C ATOM 78 CD1 LEU A 129 3.451 -5.934 8.596 1.00 0.87 C ATOM 79 CD2 LEU A 129 4.352 -3.638 8.361 1.00 0.80 C ATOM 0 H LEU A 129 7.818 -6.599 6.871 1.00 0.32 H new ATOM 0 HA LEU A 129 5.760 -5.483 5.393 1.00 0.28 H new ATOM 0 HB2 LEU A 129 5.586 -6.692 7.549 1.00 0.33 H new ATOM 0 HB3 LEU A 129 6.287 -5.311 8.370 1.00 0.33 H new ATOM 0 HG LEU A 129 3.794 -4.912 6.745 1.00 0.35 H new ATOM 0 HD11 LEU A 129 2.456 -5.512 8.737 1.00 0.87 H new ATOM 0 HD12 LEU A 129 3.367 -6.911 8.119 1.00 0.87 H new ATOM 0 HD13 LEU A 129 3.939 -6.044 9.565 1.00 0.87 H new ATOM 0 HD21 LEU A 129 3.347 -3.237 8.492 1.00 0.80 H new ATOM 0 HD22 LEU A 129 4.840 -3.718 9.332 1.00 0.80 H new ATOM 0 HD23 LEU A 129 4.928 -2.971 7.719 1.00 0.80 H new ATOM 91 N GLY A 130 6.104 -3.055 5.197 1.00 0.23 N ATOM 92 CA GLY A 130 6.162 -1.618 5.112 1.00 0.25 C ATOM 93 C GLY A 130 5.486 -1.001 6.306 1.00 0.21 C ATOM 94 O GLY A 130 4.317 -0.635 6.216 1.00 0.20 O ATOM 0 H GLY A 130 5.594 -3.501 4.435 1.00 0.23 H new ATOM 0 HA2 GLY A 130 7.201 -1.291 5.063 1.00 0.25 H new ATOM 0 HA3 GLY A 130 5.678 -1.280 4.196 1.00 0.25 H new ATOM 98 N SER A 131 6.231 -1.011 7.421 1.00 0.26 N ATOM 99 CA SER A 131 5.840 -0.488 8.744 1.00 0.31 C ATOM 100 C SER A 131 4.640 0.455 8.731 1.00 0.23 C ATOM 101 O SER A 131 4.797 1.678 8.818 1.00 0.29 O ATOM 102 CB SER A 131 7.045 0.206 9.376 1.00 0.53 C ATOM 103 OG SER A 131 7.673 1.073 8.442 1.00 1.41 O ATOM 0 H SER A 131 7.172 -1.404 7.428 1.00 0.26 H new ATOM 0 HA SER A 131 5.519 -1.348 9.333 1.00 0.31 H new ATOM 0 HB2 SER A 131 6.726 0.774 10.250 1.00 0.53 H new ATOM 0 HB3 SER A 131 7.759 -0.540 9.724 1.00 0.53 H new ATOM 0 HG SER A 131 7.013 1.703 8.085 1.00 1.41 H new ATOM 109 N ALA A 132 3.447 -0.142 8.618 1.00 0.23 N ATOM 110 CA ALA A 132 2.178 0.587 8.606 1.00 0.24 C ATOM 111 C ALA A 132 2.203 1.780 7.656 1.00 0.21 C ATOM 112 O ALA A 132 1.447 2.743 7.835 1.00 0.31 O ATOM 113 CB ALA A 132 1.808 1.015 10.015 1.00 0.33 C ATOM 0 H ALA A 132 3.337 -1.152 8.532 1.00 0.23 H new ATOM 0 HA ALA A 132 1.412 -0.091 8.231 1.00 0.24 H new ATOM 0 HB1 ALA A 132 0.862 1.557 9.994 1.00 0.33 H new ATOM 0 HB2 ALA A 132 1.708 0.134 10.648 1.00 0.33 H new ATOM 0 HB3 ALA A 132 2.588 1.663 10.415 1.00 0.33 H new ATOM 119 N MET A 133 3.041 1.677 6.627 1.00 0.16 N ATOM 120 CA MET A 133 3.141 2.691 5.591 1.00 0.21 C ATOM 121 C MET A 133 3.260 4.085 6.205 1.00 0.29 C ATOM 122 O MET A 133 3.784 4.250 7.308 1.00 0.55 O ATOM 123 CB MET A 133 1.914 2.586 4.676 1.00 0.20 C ATOM 124 CG MET A 133 1.957 1.360 3.774 1.00 0.26 C ATOM 125 SD MET A 133 0.366 0.923 3.037 1.00 0.41 S ATOM 126 CE MET A 133 -0.184 2.474 2.348 1.00 0.22 C ATOM 0 H MET A 133 3.669 0.885 6.492 1.00 0.16 H new ATOM 0 HA MET A 133 4.042 2.525 5.000 1.00 0.21 H new ATOM 0 HB2 MET A 133 1.012 2.551 5.287 1.00 0.20 H new ATOM 0 HB3 MET A 133 1.847 3.483 4.060 1.00 0.20 H new ATOM 0 HG2 MET A 133 2.678 1.536 2.976 1.00 0.26 H new ATOM 0 HG3 MET A 133 2.322 0.511 4.352 1.00 0.26 H new ATOM 0 HE1 MET A 133 -1.166 2.723 2.750 1.00 0.22 H new ATOM 0 HE2 MET A 133 0.525 3.260 2.609 1.00 0.22 H new ATOM 0 HE3 MET A 133 -0.248 2.388 1.263 1.00 0.22 H new ATOM 136 N SER A 134 2.812 5.083 5.477 1.00 0.47 N ATOM 137 CA SER A 134 2.671 6.417 6.024 1.00 0.56 C ATOM 138 C SER A 134 1.191 6.748 6.141 1.00 0.61 C ATOM 139 O SER A 134 0.794 7.903 6.011 1.00 0.74 O ATOM 140 CB SER A 134 3.398 7.423 5.134 1.00 0.65 C ATOM 141 OG SER A 134 4.775 7.096 5.037 1.00 1.52 O ATOM 0 H SER A 134 2.537 4.997 4.499 1.00 0.47 H new ATOM 0 HA SER A 134 3.120 6.467 7.016 1.00 0.56 H new ATOM 0 HB2 SER A 134 2.949 7.430 4.141 1.00 0.65 H new ATOM 0 HB3 SER A 134 3.284 8.427 5.542 1.00 0.65 H new ATOM 0 HG SER A 134 5.227 7.749 4.462 1.00 1.52 H new ATOM 147 N ARG A 135 0.396 5.689 6.387 1.00 0.61 N ATOM 148 CA ARG A 135 -1.078 5.742 6.508 1.00 0.76 C ATOM 149 C ARG A 135 -1.766 6.609 5.457 1.00 0.75 C ATOM 150 O ARG A 135 -2.874 7.043 5.705 1.00 1.14 O ATOM 151 CB ARG A 135 -1.510 6.191 7.922 1.00 1.01 C ATOM 152 CG ARG A 135 -1.069 7.599 8.374 1.00 0.98 C ATOM 153 CD ARG A 135 -1.565 8.681 7.419 1.00 1.57 C ATOM 154 NE ARG A 135 -1.585 10.029 7.983 1.00 2.57 N ATOM 155 CZ ARG A 135 -1.561 11.136 7.235 1.00 3.27 C ATOM 156 NH1 ARG A 135 -1.502 11.041 5.910 1.00 3.37 N ATOM 157 NH2 ARG A 135 -1.604 12.332 7.808 1.00 4.17 N ATOM 0 H ARG A 135 0.769 4.748 6.511 1.00 0.61 H new ATOM 0 HA ARG A 135 -1.408 4.719 6.328 1.00 0.76 H new ATOM 0 HB2 ARG A 135 -2.598 6.143 7.975 1.00 1.01 H new ATOM 0 HB3 ARG A 135 -1.123 5.468 8.640 1.00 1.01 H new ATOM 0 HG2 ARG A 135 -1.451 7.795 9.376 1.00 0.98 H new ATOM 0 HG3 ARG A 135 0.019 7.638 8.434 1.00 0.98 H new ATOM 0 HD2 ARG A 135 -0.932 8.682 6.532 1.00 1.57 H new ATOM 0 HD3 ARG A 135 -2.572 8.424 7.091 1.00 1.57 H new ATOM 0 HE ARG A 135 -1.619 10.130 8.997 1.00 2.57 H new ATOM 0 HH11 ARG A 135 -1.475 10.123 5.465 1.00 3.37 H new ATOM 0 HH12 ARG A 135 -1.484 11.886 5.338 1.00 3.37 H new ATOM 0 HH21 ARG A 135 -1.656 12.409 8.824 1.00 4.17 H new ATOM 0 HH22 ARG A 135 -1.585 13.174 7.233 1.00 4.17 H new ATOM 171 N PRO A 136 -1.202 6.738 4.242 1.00 0.54 N ATOM 172 CA PRO A 136 -1.455 7.848 3.298 1.00 0.50 C ATOM 173 C PRO A 136 -2.802 8.537 3.463 1.00 0.51 C ATOM 174 O PRO A 136 -2.856 9.757 3.614 1.00 0.57 O ATOM 175 CB PRO A 136 -1.375 7.142 1.938 1.00 0.55 C ATOM 176 CG PRO A 136 -1.172 5.708 2.291 1.00 0.62 C ATOM 177 CD PRO A 136 -0.417 5.736 3.567 1.00 0.59 C ATOM 0 HA PRO A 136 -0.745 8.661 3.448 1.00 0.50 H new ATOM 0 HB2 PRO A 136 -2.287 7.286 1.359 1.00 0.55 H new ATOM 0 HB3 PRO A 136 -0.551 7.526 1.336 1.00 0.55 H new ATOM 0 HG2 PRO A 136 -2.124 5.190 2.406 1.00 0.62 H new ATOM 0 HG3 PRO A 136 -0.616 5.184 1.514 1.00 0.62 H new ATOM 0 HD2 PRO A 136 -0.418 4.776 4.083 1.00 0.59 H new ATOM 0 HD3 PRO A 136 0.625 6.028 3.438 1.00 0.59 H new ATOM 185 N LEU A 137 -3.874 7.745 3.457 1.00 0.50 N ATOM 186 CA LEU A 137 -5.221 8.275 3.549 1.00 0.54 C ATOM 187 C LEU A 137 -5.428 9.254 2.419 1.00 0.58 C ATOM 188 O LEU A 137 -5.591 10.448 2.632 1.00 0.99 O ATOM 189 CB LEU A 137 -5.469 8.943 4.903 1.00 0.59 C ATOM 190 CG LEU A 137 -5.494 7.991 6.093 1.00 0.64 C ATOM 191 CD1 LEU A 137 -5.632 8.762 7.390 1.00 0.97 C ATOM 192 CD2 LEU A 137 -6.619 6.988 5.939 1.00 0.90 C ATOM 0 H LEU A 137 -3.828 6.728 3.389 1.00 0.50 H new ATOM 0 HA LEU A 137 -5.936 7.457 3.466 1.00 0.54 H new ATOM 0 HB2 LEU A 137 -4.694 9.690 5.070 1.00 0.59 H new ATOM 0 HB3 LEU A 137 -6.420 9.474 4.861 1.00 0.59 H new ATOM 0 HG LEU A 137 -4.550 7.447 6.123 1.00 0.64 H new ATOM 0 HD11 LEU A 137 -5.648 8.065 8.228 1.00 0.97 H new ATOM 0 HD12 LEU A 137 -4.788 9.443 7.500 1.00 0.97 H new ATOM 0 HD13 LEU A 137 -6.560 9.334 7.376 1.00 0.97 H new ATOM 0 HD21 LEU A 137 -6.625 6.314 6.796 1.00 0.90 H new ATOM 0 HD22 LEU A 137 -7.572 7.515 5.885 1.00 0.90 H new ATOM 0 HD23 LEU A 137 -6.471 6.412 5.026 1.00 0.90 H new ATOM 204 N ILE A 138 -5.409 8.697 1.221 1.00 0.55 N ATOM 205 CA ILE A 138 -5.298 9.446 -0.022 1.00 0.64 C ATOM 206 C ILE A 138 -6.244 10.634 -0.110 1.00 0.61 C ATOM 207 O ILE A 138 -5.885 11.640 -0.717 1.00 1.10 O ATOM 208 CB ILE A 138 -5.545 8.518 -1.227 1.00 0.91 C ATOM 209 CG1 ILE A 138 -4.673 7.267 -1.106 1.00 1.07 C ATOM 210 CG2 ILE A 138 -5.237 9.246 -2.526 1.00 1.17 C ATOM 211 CD1 ILE A 138 -3.193 7.569 -1.147 1.00 0.63 C ATOM 0 H ILE A 138 -5.472 7.689 1.080 1.00 0.55 H new ATOM 0 HA ILE A 138 -4.283 9.843 -0.039 1.00 0.64 H new ATOM 0 HB ILE A 138 -6.594 8.222 -1.235 1.00 0.91 H new ATOM 0 HG12 ILE A 138 -4.908 6.757 -0.172 1.00 1.07 H new ATOM 0 HG13 ILE A 138 -4.920 6.580 -1.915 1.00 1.07 H new ATOM 0 HG21 ILE A 138 -5.416 8.578 -3.369 1.00 1.17 H new ATOM 0 HG22 ILE A 138 -5.880 10.121 -2.614 1.00 1.17 H new ATOM 0 HG23 ILE A 138 -4.193 9.561 -2.528 1.00 1.17 H new ATOM 0 HD11 ILE A 138 -2.630 6.640 -1.057 1.00 0.63 H new ATOM 0 HD12 ILE A 138 -2.946 8.053 -2.092 1.00 0.63 H new ATOM 0 HD13 ILE A 138 -2.934 8.232 -0.322 1.00 0.63 H new ATOM 223 N HIS A 139 -7.434 10.526 0.504 1.00 0.40 N ATOM 224 CA HIS A 139 -8.481 11.527 0.359 1.00 0.41 C ATOM 225 C HIS A 139 -8.606 11.899 -1.103 1.00 0.46 C ATOM 226 O HIS A 139 -8.212 12.980 -1.552 1.00 0.82 O ATOM 227 CB HIS A 139 -8.318 12.752 1.296 1.00 0.53 C ATOM 228 CG HIS A 139 -6.957 13.387 1.286 1.00 0.65 C ATOM 229 ND1 HIS A 139 -5.960 12.999 2.143 1.00 0.86 N ATOM 230 CD2 HIS A 139 -6.406 14.320 0.474 1.00 1.13 C ATOM 231 CE1 HIS A 139 -4.855 13.649 1.860 1.00 1.07 C ATOM 232 NE2 HIS A 139 -5.090 14.461 0.846 1.00 1.28 N ATOM 0 H HIS A 139 -7.687 9.745 1.109 1.00 0.40 H new ATOM 0 HA HIS A 139 -9.421 11.086 0.691 1.00 0.41 H new ATOM 0 HB2 HIS A 139 -9.055 13.505 1.015 1.00 0.53 H new ATOM 0 HB3 HIS A 139 -8.550 12.443 2.315 1.00 0.53 H new ATOM 0 HD1 HIS A 139 -6.061 12.310 2.888 1.00 0.86 H new ATOM 0 HD2 HIS A 139 -6.908 14.855 -0.319 1.00 1.13 H new ATOM 0 HE1 HIS A 139 -3.910 13.538 2.372 1.00 1.07 H new ATOM 241 N PHE A 140 -9.132 10.918 -1.821 1.00 0.45 N ATOM 242 CA PHE A 140 -9.365 10.946 -3.253 1.00 0.41 C ATOM 243 C PHE A 140 -9.832 12.307 -3.747 1.00 0.46 C ATOM 244 O PHE A 140 -9.454 12.766 -4.825 1.00 0.64 O ATOM 245 CB PHE A 140 -10.439 9.900 -3.538 1.00 0.38 C ATOM 246 CG PHE A 140 -10.803 9.773 -4.985 1.00 0.70 C ATOM 247 CD1 PHE A 140 -9.945 9.157 -5.881 1.00 0.74 C ATOM 248 CD2 PHE A 140 -12.004 10.273 -5.447 1.00 1.23 C ATOM 249 CE1 PHE A 140 -10.283 9.039 -7.214 1.00 1.19 C ATOM 250 CE2 PHE A 140 -12.350 10.159 -6.781 1.00 1.74 C ATOM 251 CZ PHE A 140 -11.467 9.535 -7.669 1.00 1.70 C ATOM 0 H PHE A 140 -9.422 10.037 -1.397 1.00 0.45 H new ATOM 0 HA PHE A 140 -8.431 10.737 -3.775 1.00 0.41 H new ATOM 0 HB2 PHE A 140 -10.093 8.932 -3.176 1.00 0.38 H new ATOM 0 HB3 PHE A 140 -11.335 10.151 -2.970 1.00 0.38 H new ATOM 0 HD1 PHE A 140 -9.001 8.765 -5.533 1.00 0.74 H new ATOM 0 HD2 PHE A 140 -12.681 10.758 -4.759 1.00 1.23 H new ATOM 0 HE1 PHE A 140 -9.606 8.551 -7.899 1.00 1.19 H new ATOM 0 HE2 PHE A 140 -13.293 10.548 -7.134 1.00 1.74 H new ATOM 0 HZ PHE A 140 -11.724 9.447 -8.714 1.00 1.70 H new ATOM 261 N GLY A 141 -10.635 12.943 -2.932 1.00 0.47 N ATOM 262 CA GLY A 141 -11.313 14.139 -3.328 1.00 0.53 C ATOM 263 C GLY A 141 -12.785 13.943 -3.132 1.00 0.48 C ATOM 264 O GLY A 141 -13.604 14.748 -3.575 1.00 0.54 O ATOM 0 H GLY A 141 -10.833 12.642 -1.978 1.00 0.47 H new ATOM 0 HA2 GLY A 141 -10.962 14.985 -2.737 1.00 0.53 H new ATOM 0 HA3 GLY A 141 -11.098 14.368 -4.372 1.00 0.53 H new ATOM 268 N ASN A 142 -13.118 12.845 -2.460 1.00 0.41 N ATOM 269 CA ASN A 142 -14.488 12.516 -2.170 1.00 0.45 C ATOM 270 C ASN A 142 -14.534 11.896 -0.820 1.00 0.47 C ATOM 271 O ASN A 142 -14.243 10.729 -0.695 1.00 0.46 O ATOM 272 CB ASN A 142 -15.047 11.526 -3.184 1.00 0.48 C ATOM 273 CG ASN A 142 -16.289 12.046 -3.879 1.00 1.22 C ATOM 274 OD1 ASN A 142 -17.004 12.892 -3.341 1.00 1.71 O ATOM 275 ND2 ASN A 142 -16.579 11.522 -5.058 1.00 1.88 N ATOM 0 H ASN A 142 -12.441 12.168 -2.108 1.00 0.41 H new ATOM 0 HA ASN A 142 -15.089 13.424 -2.215 1.00 0.45 H new ATOM 0 HB2 ASN A 142 -14.283 11.304 -3.930 1.00 0.48 H new ATOM 0 HB3 ASN A 142 -15.282 10.589 -2.680 1.00 0.48 H new ATOM 0 HD21 ASN A 142 -17.420 11.817 -5.554 1.00 1.88 H new ATOM 0 HD22 ASN A 142 -15.962 10.823 -5.471 1.00 1.88 H new ATOM 282 N ASP A 143 -14.874 12.680 0.181 1.00 0.54 N ATOM 283 CA ASP A 143 -14.753 12.257 1.566 1.00 0.57 C ATOM 284 C ASP A 143 -15.474 10.942 1.848 1.00 0.52 C ATOM 285 O ASP A 143 -15.213 10.288 2.847 1.00 0.52 O ATOM 286 CB ASP A 143 -15.230 13.344 2.502 1.00 0.72 C ATOM 287 CG ASP A 143 -16.738 13.366 2.675 1.00 1.04 C ATOM 288 OD1 ASP A 143 -17.444 13.746 1.719 1.00 1.14 O ATOM 289 OD2 ASP A 143 -17.223 12.996 3.766 1.00 1.39 O ATOM 0 H ASP A 143 -15.241 13.624 0.062 1.00 0.54 H new ATOM 0 HA ASP A 143 -13.693 12.077 1.747 1.00 0.57 H new ATOM 0 HB2 ASP A 143 -14.761 13.207 3.476 1.00 0.72 H new ATOM 0 HB3 ASP A 143 -14.900 14.311 2.123 1.00 0.72 H new ATOM 294 N TYR A 144 -16.362 10.560 0.955 1.00 0.53 N ATOM 295 CA TYR A 144 -16.963 9.241 0.977 1.00 0.55 C ATOM 296 C TYR A 144 -15.880 8.175 0.787 1.00 0.45 C ATOM 297 O TYR A 144 -15.789 7.220 1.552 1.00 0.47 O ATOM 298 CB TYR A 144 -18.011 9.187 -0.130 1.00 0.63 C ATOM 299 CG TYR A 144 -18.227 7.819 -0.746 1.00 0.82 C ATOM 300 CD1 TYR A 144 -19.061 6.887 -0.136 1.00 1.15 C ATOM 301 CD2 TYR A 144 -17.600 7.457 -1.932 1.00 0.90 C ATOM 302 CE1 TYR A 144 -19.266 5.640 -0.693 1.00 1.41 C ATOM 303 CE2 TYR A 144 -17.799 6.211 -2.494 1.00 1.19 C ATOM 304 CZ TYR A 144 -18.614 5.307 -1.881 1.00 1.40 C ATOM 305 OH TYR A 144 -18.839 4.064 -2.428 1.00 1.70 O ATOM 0 H TYR A 144 -16.688 11.154 0.193 1.00 0.53 H new ATOM 0 HA TYR A 144 -17.444 9.043 1.935 1.00 0.55 H new ATOM 0 HB2 TYR A 144 -18.960 9.541 0.272 1.00 0.63 H new ATOM 0 HB3 TYR A 144 -17.720 9.881 -0.918 1.00 0.63 H new ATOM 0 HD1 TYR A 144 -19.556 7.143 0.789 1.00 1.15 H new ATOM 0 HD2 TYR A 144 -16.946 8.162 -2.423 1.00 0.90 H new ATOM 0 HE1 TYR A 144 -19.924 4.930 -0.214 1.00 1.41 H new ATOM 0 HE2 TYR A 144 -17.308 5.953 -3.421 1.00 1.19 H new ATOM 0 HH TYR A 144 -18.320 3.971 -3.254 1.00 1.70 H new ATOM 315 N GLU A 145 -15.051 8.369 -0.230 1.00 0.39 N ATOM 316 CA GLU A 145 -13.897 7.518 -0.478 1.00 0.34 C ATOM 317 C GLU A 145 -12.717 7.936 0.353 1.00 0.33 C ATOM 318 O GLU A 145 -11.913 7.103 0.765 1.00 0.34 O ATOM 319 CB GLU A 145 -13.457 7.590 -1.903 1.00 0.34 C ATOM 320 CG GLU A 145 -14.196 6.660 -2.829 1.00 0.43 C ATOM 321 CD GLU A 145 -13.594 6.640 -4.218 1.00 1.12 C ATOM 322 OE1 GLU A 145 -12.558 5.973 -4.408 1.00 2.20 O ATOM 323 OE2 GLU A 145 -14.151 7.297 -5.122 1.00 1.23 O ATOM 0 H GLU A 145 -15.161 9.123 -0.908 1.00 0.39 H new ATOM 0 HA GLU A 145 -14.215 6.507 -0.222 1.00 0.34 H new ATOM 0 HB2 GLU A 145 -13.583 8.613 -2.258 1.00 0.34 H new ATOM 0 HB3 GLU A 145 -12.392 7.363 -1.954 1.00 0.34 H new ATOM 0 HG2 GLU A 145 -14.184 5.652 -2.415 1.00 0.43 H new ATOM 0 HG3 GLU A 145 -15.240 6.966 -2.892 1.00 0.43 H new ATOM 330 N ASP A 146 -12.590 9.232 0.554 1.00 0.37 N ATOM 331 CA ASP A 146 -11.503 9.767 1.332 1.00 0.45 C ATOM 332 C ASP A 146 -11.477 9.059 2.667 1.00 0.45 C ATOM 333 O ASP A 146 -10.469 8.482 3.103 1.00 0.49 O ATOM 334 CB ASP A 146 -11.664 11.267 1.565 1.00 0.56 C ATOM 335 CG ASP A 146 -11.604 12.106 0.306 1.00 1.11 C ATOM 336 OD1 ASP A 146 -11.580 11.523 -0.800 1.00 1.44 O ATOM 337 OD2 ASP A 146 -11.603 13.342 0.409 1.00 1.40 O ATOM 0 H ASP A 146 -13.232 9.933 0.185 1.00 0.37 H new ATOM 0 HA ASP A 146 -10.573 9.610 0.785 1.00 0.45 H new ATOM 0 HB2 ASP A 146 -12.619 11.445 2.060 1.00 0.56 H new ATOM 0 HB3 ASP A 146 -10.883 11.602 2.248 1.00 0.56 H new ATOM 342 N ARG A 147 -12.638 9.073 3.276 1.00 0.47 N ATOM 343 CA ARG A 147 -12.873 8.360 4.507 1.00 0.52 C ATOM 344 C ARG A 147 -12.905 6.869 4.249 1.00 0.50 C ATOM 345 O ARG A 147 -12.567 6.089 5.120 1.00 0.54 O ATOM 346 CB ARG A 147 -14.196 8.801 5.120 1.00 0.57 C ATOM 347 CG ARG A 147 -15.018 7.652 5.692 1.00 0.66 C ATOM 348 CD ARG A 147 -15.993 7.143 4.651 1.00 0.69 C ATOM 349 NE ARG A 147 -17.082 8.096 4.434 1.00 1.11 N ATOM 350 CZ ARG A 147 -18.237 7.801 3.839 1.00 1.15 C ATOM 351 NH1 ARG A 147 -18.454 6.579 3.372 1.00 1.34 N ATOM 352 NH2 ARG A 147 -19.175 8.733 3.712 1.00 1.94 N ATOM 0 H ARG A 147 -13.451 9.582 2.929 1.00 0.47 H new ATOM 0 HA ARG A 147 -12.063 8.584 5.201 1.00 0.52 H new ATOM 0 HB2 ARG A 147 -13.997 9.523 5.912 1.00 0.57 H new ATOM 0 HB3 ARG A 147 -14.785 9.315 4.360 1.00 0.57 H new ATOM 0 HG2 ARG A 147 -14.358 6.845 6.009 1.00 0.66 H new ATOM 0 HG3 ARG A 147 -15.560 7.987 6.576 1.00 0.66 H new ATOM 0 HD2 ARG A 147 -15.468 6.967 3.712 1.00 0.69 H new ATOM 0 HD3 ARG A 147 -16.403 6.185 4.971 1.00 0.69 H new ATOM 0 HE ARG A 147 -16.947 9.053 4.761 1.00 1.11 H new ATOM 0 HH11 ARG A 147 -17.735 5.861 3.468 1.00 1.34 H new ATOM 0 HH12 ARG A 147 -19.339 6.357 2.917 1.00 1.34 H new ATOM 0 HH21 ARG A 147 -19.011 9.674 4.070 1.00 1.94 H new ATOM 0 HH22 ARG A 147 -20.059 8.508 3.257 1.00 1.94 H new ATOM 366 N TYR A 148 -13.340 6.478 3.060 1.00 0.45 N ATOM 367 CA TYR A 148 -13.444 5.069 2.736 1.00 0.46 C ATOM 368 C TYR A 148 -12.111 4.405 2.918 1.00 0.44 C ATOM 369 O TYR A 148 -12.029 3.358 3.510 1.00 0.57 O ATOM 370 CB TYR A 148 -13.977 4.858 1.316 1.00 0.47 C ATOM 371 CG TYR A 148 -14.252 3.419 0.944 1.00 0.49 C ATOM 372 CD1 TYR A 148 -14.936 2.584 1.816 1.00 0.71 C ATOM 373 CD2 TYR A 148 -13.810 2.890 -0.262 1.00 0.38 C ATOM 374 CE1 TYR A 148 -15.177 1.263 1.494 1.00 0.77 C ATOM 375 CE2 TYR A 148 -14.046 1.568 -0.588 1.00 0.43 C ATOM 376 CZ TYR A 148 -14.783 0.787 0.227 1.00 0.60 C ATOM 377 OH TYR A 148 -14.960 -0.558 -0.027 1.00 0.68 O ATOM 0 H TYR A 148 -13.623 7.112 2.313 1.00 0.45 H new ATOM 0 HA TYR A 148 -14.160 4.611 3.418 1.00 0.46 H new ATOM 0 HB2 TYR A 148 -14.898 5.430 1.201 1.00 0.47 H new ATOM 0 HB3 TYR A 148 -13.257 5.269 0.609 1.00 0.47 H new ATOM 0 HD1 TYR A 148 -15.285 2.973 2.761 1.00 0.71 H new ATOM 0 HD2 TYR A 148 -13.274 3.521 -0.955 1.00 0.38 H new ATOM 0 HE1 TYR A 148 -15.660 0.605 2.202 1.00 0.77 H new ATOM 0 HE2 TYR A 148 -13.638 1.158 -1.500 1.00 0.43 H new ATOM 0 HH TYR A 148 -14.651 -0.763 -0.934 1.00 0.68 H new ATOM 387 N TYR A 149 -11.066 5.055 2.471 1.00 0.41 N ATOM 388 CA TYR A 149 -9.722 4.543 2.669 1.00 0.43 C ATOM 389 C TYR A 149 -9.377 4.634 4.144 1.00 0.41 C ATOM 390 O TYR A 149 -8.705 3.778 4.679 1.00 0.40 O ATOM 391 CB TYR A 149 -8.687 5.342 1.903 1.00 0.54 C ATOM 392 CG TYR A 149 -9.097 5.740 0.499 1.00 0.67 C ATOM 393 CD1 TYR A 149 -9.706 4.827 -0.352 1.00 1.40 C ATOM 394 CD2 TYR A 149 -8.891 7.029 0.032 1.00 0.97 C ATOM 395 CE1 TYR A 149 -10.092 5.190 -1.632 1.00 2.09 C ATOM 396 CE2 TYR A 149 -9.275 7.400 -1.241 1.00 1.54 C ATOM 397 CZ TYR A 149 -9.826 6.458 -2.089 1.00 2.08 C ATOM 398 OH TYR A 149 -10.267 6.857 -3.334 1.00 2.82 O ATOM 0 H TYR A 149 -11.114 5.940 1.967 1.00 0.41 H new ATOM 0 HA TYR A 149 -9.705 3.515 2.308 1.00 0.43 H new ATOM 0 HB2 TYR A 149 -8.456 6.245 2.468 1.00 0.54 H new ATOM 0 HB3 TYR A 149 -7.768 4.758 1.846 1.00 0.54 H new ATOM 0 HD1 TYR A 149 -9.882 3.818 -0.010 1.00 1.40 H new ATOM 0 HD2 TYR A 149 -8.421 7.757 0.677 1.00 0.97 H new ATOM 0 HE1 TYR A 149 -10.600 4.480 -2.268 1.00 2.09 H new ATOM 0 HE2 TYR A 149 -9.146 8.420 -1.572 1.00 1.54 H new ATOM 0 HH TYR A 149 -11.176 6.521 -3.482 1.00 2.82 H new ATOM 408 N ARG A 150 -9.851 5.680 4.815 1.00 0.45 N ATOM 409 CA ARG A 150 -9.638 5.781 6.257 1.00 0.48 C ATOM 410 C ARG A 150 -10.440 4.705 6.980 1.00 0.50 C ATOM 411 O ARG A 150 -10.254 4.438 8.169 1.00 0.60 O ATOM 412 CB ARG A 150 -9.976 7.182 6.786 1.00 0.56 C ATOM 413 CG ARG A 150 -11.241 7.244 7.622 1.00 0.59 C ATOM 414 CD ARG A 150 -11.453 8.629 8.206 1.00 1.15 C ATOM 415 NE ARG A 150 -10.373 8.992 9.123 1.00 1.83 N ATOM 416 CZ ARG A 150 -10.343 10.111 9.843 1.00 2.65 C ATOM 417 NH1 ARG A 150 -11.326 10.997 9.741 1.00 2.97 N ATOM 418 NH2 ARG A 150 -9.328 10.339 10.664 1.00 3.59 N ATOM 0 H ARG A 150 -10.372 6.451 4.398 1.00 0.45 H new ATOM 0 HA ARG A 150 -8.579 5.618 6.456 1.00 0.48 H new ATOM 0 HB2 ARG A 150 -9.140 7.543 7.385 1.00 0.56 H new ATOM 0 HB3 ARG A 150 -10.079 7.862 5.940 1.00 0.56 H new ATOM 0 HG2 ARG A 150 -12.099 6.972 7.007 1.00 0.59 H new ATOM 0 HG3 ARG A 150 -11.182 6.513 8.428 1.00 0.59 H new ATOM 0 HD2 ARG A 150 -11.510 9.361 7.400 1.00 1.15 H new ATOM 0 HD3 ARG A 150 -12.406 8.661 8.733 1.00 1.15 H new ATOM 0 HE ARG A 150 -9.591 8.344 9.217 1.00 1.83 H new ATOM 0 HH11 ARG A 150 -12.107 10.821 9.109 1.00 2.97 H new ATOM 0 HH12 ARG A 150 -11.300 11.854 10.294 1.00 2.97 H new ATOM 0 HH21 ARG A 150 -8.573 9.658 10.743 1.00 3.59 H new ATOM 0 HH22 ARG A 150 -9.302 11.196 11.217 1.00 3.59 H new ATOM 432 N GLU A 151 -11.314 4.084 6.226 1.00 0.44 N ATOM 433 CA GLU A 151 -12.069 2.958 6.675 1.00 0.48 C ATOM 434 C GLU A 151 -11.320 1.730 6.226 1.00 0.44 C ATOM 435 O GLU A 151 -11.408 0.654 6.813 1.00 0.50 O ATOM 436 CB GLU A 151 -13.465 2.986 6.046 1.00 0.54 C ATOM 437 CG GLU A 151 -13.837 1.679 5.352 1.00 0.49 C ATOM 438 CD GLU A 151 -15.326 1.480 5.162 1.00 0.60 C ATOM 439 OE1 GLU A 151 -16.068 2.480 5.138 1.00 0.73 O ATOM 440 OE2 GLU A 151 -15.758 0.309 5.031 1.00 0.83 O ATOM 0 H GLU A 151 -11.519 4.359 5.265 1.00 0.44 H new ATOM 0 HA GLU A 151 -12.190 2.967 7.758 1.00 0.48 H new ATOM 0 HB2 GLU A 151 -14.201 3.201 6.820 1.00 0.54 H new ATOM 0 HB3 GLU A 151 -13.515 3.801 5.324 1.00 0.54 H new ATOM 0 HG2 GLU A 151 -13.350 1.647 4.377 1.00 0.49 H new ATOM 0 HG3 GLU A 151 -13.442 0.846 5.934 1.00 0.49 H new ATOM 447 N ASN A 152 -10.535 1.947 5.185 1.00 0.40 N ATOM 448 CA ASN A 152 -9.906 0.886 4.455 1.00 0.43 C ATOM 449 C ASN A 152 -8.585 0.513 5.017 1.00 0.37 C ATOM 450 O ASN A 152 -7.988 -0.464 4.594 1.00 0.36 O ATOM 451 CB ASN A 152 -9.684 1.231 2.992 1.00 0.62 C ATOM 452 CG ASN A 152 -10.945 1.278 2.182 1.00 0.67 C ATOM 453 OD1 ASN A 152 -11.942 0.632 2.501 1.00 1.69 O ATOM 454 ND2 ASN A 152 -10.886 2.036 1.110 1.00 0.48 N ATOM 0 H ASN A 152 -10.321 2.878 4.828 1.00 0.40 H new ATOM 0 HA ASN A 152 -10.602 0.052 4.542 1.00 0.43 H new ATOM 0 HB2 ASN A 152 -9.186 2.199 2.928 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -9.009 0.496 2.554 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -11.695 2.111 0.493 1.00 0.48 H new ATOM 0 HD22 ASN A 152 -10.031 2.550 0.895 1.00 0.48 H new ATOM 461 N MET A 153 -8.119 1.273 5.954 1.00 0.35 N ATOM 462 CA MET A 153 -6.725 1.196 6.288 1.00 0.34 C ATOM 463 C MET A 153 -6.319 -0.080 6.984 1.00 0.33 C ATOM 464 O MET A 153 -5.148 -0.266 7.303 1.00 0.36 O ATOM 465 CB MET A 153 -6.255 2.403 7.065 1.00 0.36 C ATOM 466 CG MET A 153 -6.138 3.662 6.230 1.00 0.69 C ATOM 467 SD MET A 153 -5.140 3.441 4.743 1.00 0.61 S ATOM 468 CE MET A 153 -6.317 2.650 3.644 1.00 0.34 C ATOM 0 H MET A 153 -8.666 1.943 6.495 1.00 0.35 H new ATOM 0 HA MET A 153 -6.218 1.187 5.323 1.00 0.34 H new ATOM 0 HB2 MET A 153 -6.947 2.586 7.887 1.00 0.36 H new ATOM 0 HB3 MET A 153 -5.285 2.182 7.509 1.00 0.36 H new ATOM 0 HG2 MET A 153 -7.136 3.994 5.944 1.00 0.69 H new ATOM 0 HG3 MET A 153 -5.701 4.454 6.838 1.00 0.69 H new ATOM 0 HE1 MET A 153 -6.079 1.590 3.558 1.00 0.34 H new ATOM 0 HE2 MET A 153 -7.324 2.765 4.046 1.00 0.34 H new ATOM 0 HE3 MET A 153 -6.264 3.114 2.659 1.00 0.34 H new ATOM 478 N TYR A 154 -7.258 -0.955 7.217 1.00 0.33 N ATOM 479 CA TYR A 154 -6.928 -2.231 7.789 1.00 0.36 C ATOM 480 C TYR A 154 -7.310 -3.344 6.830 1.00 0.34 C ATOM 481 O TYR A 154 -7.406 -4.511 7.210 1.00 0.39 O ATOM 482 CB TYR A 154 -7.611 -2.389 9.146 1.00 0.47 C ATOM 483 CG TYR A 154 -7.098 -1.417 10.184 1.00 0.60 C ATOM 484 CD1 TYR A 154 -7.452 -0.074 10.146 1.00 0.68 C ATOM 485 CD2 TYR A 154 -6.268 -1.846 11.215 1.00 0.76 C ATOM 486 CE1 TYR A 154 -6.995 0.811 11.103 1.00 0.83 C ATOM 487 CE2 TYR A 154 -5.807 -0.971 12.172 1.00 0.92 C ATOM 488 CZ TYR A 154 -6.133 0.386 12.070 1.00 0.95 C ATOM 489 OH TYR A 154 -5.717 1.238 13.072 1.00 1.10 O ATOM 0 H TYR A 154 -8.249 -0.811 7.022 1.00 0.33 H new ATOM 0 HA TYR A 154 -5.852 -2.291 7.953 1.00 0.36 H new ATOM 0 HB2 TYR A 154 -8.685 -2.248 9.024 1.00 0.47 H new ATOM 0 HB3 TYR A 154 -7.462 -3.407 9.505 1.00 0.47 H new ATOM 0 HD1 TYR A 154 -8.095 0.284 9.355 1.00 0.68 H new ATOM 0 HD2 TYR A 154 -5.980 -2.886 11.265 1.00 0.76 H new ATOM 0 HE1 TYR A 154 -7.321 1.841 11.085 1.00 0.83 H new ATOM 0 HE2 TYR A 154 -5.201 -1.327 12.992 1.00 0.92 H new ATOM 0 HH TYR A 154 -5.105 0.763 13.672 1.00 1.10 H new ATOM 499 N ARG A 155 -7.494 -2.980 5.565 1.00 0.30 N ATOM 500 CA ARG A 155 -7.882 -3.952 4.564 1.00 0.31 C ATOM 501 C ARG A 155 -7.425 -3.534 3.154 1.00 0.25 C ATOM 502 O ARG A 155 -6.908 -4.351 2.404 1.00 0.26 O ATOM 503 CB ARG A 155 -9.388 -4.177 4.643 1.00 0.41 C ATOM 504 CG ARG A 155 -10.182 -3.286 3.742 1.00 0.60 C ATOM 505 CD ARG A 155 -10.660 -2.038 4.443 1.00 0.43 C ATOM 506 NE ARG A 155 -11.593 -2.309 5.524 1.00 0.95 N ATOM 507 CZ ARG A 155 -12.874 -1.934 5.516 1.00 1.23 C ATOM 508 NH1 ARG A 155 -13.391 -1.328 4.450 1.00 1.36 N ATOM 509 NH2 ARG A 155 -13.636 -2.156 6.579 1.00 1.92 N ATOM 0 H ARG A 155 -7.381 -2.028 5.217 1.00 0.30 H new ATOM 0 HA ARG A 155 -7.379 -4.897 4.769 1.00 0.31 H new ATOM 0 HB2 ARG A 155 -9.604 -5.216 4.393 1.00 0.41 H new ATOM 0 HB3 ARG A 155 -9.715 -4.022 5.671 1.00 0.41 H new ATOM 0 HG2 ARG A 155 -9.572 -3.006 2.883 1.00 0.60 H new ATOM 0 HG3 ARG A 155 -11.041 -3.835 3.357 1.00 0.60 H new ATOM 0 HD2 ARG A 155 -9.799 -1.501 4.841 1.00 0.43 H new ATOM 0 HD3 ARG A 155 -11.138 -1.381 3.716 1.00 0.43 H new ATOM 0 HE ARG A 155 -11.248 -2.817 6.338 1.00 0.95 H new ATOM 0 HH11 ARG A 155 -12.808 -1.148 3.633 1.00 1.36 H new ATOM 0 HH12 ARG A 155 -14.371 -1.044 4.450 1.00 1.36 H new ATOM 0 HH21 ARG A 155 -13.243 -2.613 7.402 1.00 1.92 H new ATOM 0 HH22 ARG A 155 -14.615 -1.870 6.574 1.00 1.92 H new ATOM 523 N TYR A 156 -7.611 -2.270 2.800 1.00 0.26 N ATOM 524 CA TYR A 156 -7.058 -1.711 1.574 1.00 0.24 C ATOM 525 C TYR A 156 -6.070 -0.683 2.045 1.00 0.24 C ATOM 526 O TYR A 156 -6.150 0.493 1.709 1.00 0.29 O ATOM 527 CB TYR A 156 -8.171 -1.068 0.762 1.00 0.28 C ATOM 528 CG TYR A 156 -9.407 -1.932 0.667 1.00 0.33 C ATOM 529 CD1 TYR A 156 -9.308 -3.301 0.504 1.00 0.53 C ATOM 530 CD2 TYR A 156 -10.666 -1.379 0.761 1.00 0.43 C ATOM 531 CE1 TYR A 156 -10.434 -4.095 0.437 1.00 0.62 C ATOM 532 CE2 TYR A 156 -11.804 -2.161 0.693 1.00 0.49 C ATOM 533 CZ TYR A 156 -11.681 -3.520 0.531 1.00 0.56 C ATOM 534 OH TYR A 156 -12.804 -4.314 0.487 1.00 0.65 O ATOM 0 H TYR A 156 -8.149 -1.604 3.354 1.00 0.26 H new ATOM 0 HA TYR A 156 -6.590 -2.458 0.933 1.00 0.24 H new ATOM 0 HB2 TYR A 156 -8.437 -0.112 1.213 1.00 0.28 H new ATOM 0 HB3 TYR A 156 -7.805 -0.856 -0.242 1.00 0.28 H new ATOM 0 HD1 TYR A 156 -8.332 -3.757 0.428 1.00 0.53 H new ATOM 0 HD2 TYR A 156 -10.766 -0.311 0.891 1.00 0.43 H new ATOM 0 HE1 TYR A 156 -10.338 -5.163 0.311 1.00 0.62 H new ATOM 0 HE2 TYR A 156 -12.781 -1.708 0.767 1.00 0.49 H new ATOM 0 HH TYR A 156 -12.805 -4.922 1.256 1.00 0.65 H new ATOM 544 N PRO A 157 -5.098 -1.166 2.811 1.00 0.21 N ATOM 545 CA PRO A 157 -4.743 -0.563 4.064 1.00 0.22 C ATOM 546 C PRO A 157 -3.488 0.277 4.079 1.00 0.23 C ATOM 547 O PRO A 157 -2.902 0.598 3.048 1.00 0.25 O ATOM 548 CB PRO A 157 -4.523 -1.849 4.832 1.00 0.21 C ATOM 549 CG PRO A 157 -3.667 -2.638 3.904 1.00 0.21 C ATOM 550 CD PRO A 157 -4.187 -2.301 2.523 1.00 0.22 C ATOM 0 HA PRO A 157 -5.479 0.157 4.423 1.00 0.22 H new ATOM 0 HB2 PRO A 157 -4.029 -1.671 5.787 1.00 0.21 H new ATOM 0 HB3 PRO A 157 -5.462 -2.358 5.049 1.00 0.21 H new ATOM 0 HG2 PRO A 157 -2.616 -2.368 4.008 1.00 0.21 H new ATOM 0 HG3 PRO A 157 -3.743 -3.706 4.106 1.00 0.21 H new ATOM 0 HD2 PRO A 157 -3.385 -2.019 1.842 1.00 0.22 H new ATOM 0 HD3 PRO A 157 -4.711 -3.141 2.067 1.00 0.22 H new ATOM 558 N ASN A 158 -3.093 0.618 5.295 1.00 0.24 N ATOM 559 CA ASN A 158 -1.862 1.319 5.529 1.00 0.27 C ATOM 560 C ASN A 158 -0.789 0.342 5.971 1.00 0.32 C ATOM 561 O ASN A 158 -0.184 0.505 7.015 1.00 0.57 O ATOM 562 CB ASN A 158 -2.036 2.454 6.557 1.00 0.29 C ATOM 563 CG ASN A 158 -2.722 2.058 7.867 1.00 1.07 C ATOM 564 OD1 ASN A 158 -3.423 2.870 8.469 1.00 1.56 O ATOM 565 ND2 ASN A 158 -2.498 0.844 8.347 1.00 1.86 N ATOM 0 H ASN A 158 -3.624 0.412 6.141 1.00 0.24 H new ATOM 0 HA ASN A 158 -1.553 1.785 4.593 1.00 0.27 H new ATOM 0 HB2 ASN A 158 -1.053 2.862 6.791 1.00 0.29 H new ATOM 0 HB3 ASN A 158 -2.612 3.255 6.094 1.00 0.29 H new ATOM 0 HD21 ASN A 158 -2.911 0.563 9.236 1.00 1.86 H new ATOM 0 HD22 ASN A 158 -1.913 0.190 7.827 1.00 1.86 H new ATOM 572 N GLN A 159 -0.598 -0.707 5.194 1.00 0.22 N ATOM 573 CA GLN A 159 0.555 -1.566 5.369 1.00 0.23 C ATOM 574 C GLN A 159 0.836 -2.369 4.121 1.00 0.21 C ATOM 575 O GLN A 159 -0.075 -2.736 3.377 1.00 0.24 O ATOM 576 CB GLN A 159 0.409 -2.496 6.560 1.00 0.25 C ATOM 577 CG GLN A 159 -0.764 -3.458 6.463 1.00 0.25 C ATOM 578 CD GLN A 159 -0.897 -4.320 7.697 1.00 0.42 C ATOM 579 OE1 GLN A 159 -1.613 -3.974 8.636 1.00 0.87 O ATOM 580 NE2 GLN A 159 -0.188 -5.435 7.713 1.00 0.63 N ATOM 0 H GLN A 159 -1.225 -0.983 4.438 1.00 0.22 H new ATOM 0 HA GLN A 159 1.400 -0.906 5.564 1.00 0.23 H new ATOM 0 HB2 GLN A 159 1.328 -3.072 6.671 1.00 0.25 H new ATOM 0 HB3 GLN A 159 0.298 -1.896 7.463 1.00 0.25 H new ATOM 0 HG2 GLN A 159 -1.684 -2.893 6.315 1.00 0.25 H new ATOM 0 HG3 GLN A 159 -0.638 -4.096 5.588 1.00 0.25 H new ATOM 0 HE21 GLN A 159 0.392 -5.682 6.911 1.00 0.63 H new ATOM 0 HE22 GLN A 159 -0.221 -6.049 8.527 1.00 0.63 H new ATOM 589 N VAL A 160 2.109 -2.649 3.911 1.00 0.20 N ATOM 590 CA VAL A 160 2.557 -3.361 2.744 1.00 0.18 C ATOM 591 C VAL A 160 3.673 -4.294 3.113 1.00 0.20 C ATOM 592 O VAL A 160 4.139 -4.286 4.242 1.00 0.26 O ATOM 593 CB VAL A 160 3.010 -2.441 1.605 1.00 0.20 C ATOM 594 CG1 VAL A 160 1.824 -2.050 0.755 1.00 0.22 C ATOM 595 CG2 VAL A 160 3.713 -1.208 2.131 1.00 0.23 C ATOM 0 H VAL A 160 2.858 -2.385 4.551 1.00 0.20 H new ATOM 0 HA VAL A 160 1.698 -3.920 2.373 1.00 0.18 H new ATOM 0 HB VAL A 160 3.725 -2.990 0.992 1.00 0.20 H new ATOM 0 HG11 VAL A 160 2.155 -1.396 -0.052 1.00 0.22 H new ATOM 0 HG12 VAL A 160 1.368 -2.945 0.333 1.00 0.22 H new ATOM 0 HG13 VAL A 160 1.093 -1.526 1.370 1.00 0.22 H new ATOM 0 HG21 VAL A 160 4.020 -0.580 1.295 1.00 0.23 H new ATOM 0 HG22 VAL A 160 3.034 -0.649 2.775 1.00 0.23 H new ATOM 0 HG23 VAL A 160 4.592 -1.506 2.702 1.00 0.23 H new ATOM 605 N TYR A 161 4.041 -5.154 2.200 1.00 0.20 N ATOM 606 CA TYR A 161 5.143 -6.061 2.433 1.00 0.24 C ATOM 607 C TYR A 161 6.108 -6.031 1.259 1.00 0.31 C ATOM 608 O TYR A 161 5.886 -6.654 0.236 1.00 0.62 O ATOM 609 CB TYR A 161 4.603 -7.468 2.597 1.00 0.26 C ATOM 610 CG TYR A 161 3.583 -7.628 3.700 1.00 0.60 C ATOM 611 CD1 TYR A 161 2.256 -7.312 3.470 1.00 1.05 C ATOM 612 CD2 TYR A 161 3.938 -8.107 4.955 1.00 0.71 C ATOM 613 CE1 TYR A 161 1.308 -7.457 4.451 1.00 1.60 C ATOM 614 CE2 TYR A 161 2.989 -8.262 5.948 1.00 1.25 C ATOM 615 CZ TYR A 161 1.673 -7.936 5.691 1.00 1.70 C ATOM 616 OH TYR A 161 0.719 -8.095 6.674 1.00 2.25 O ATOM 0 H TYR A 161 3.596 -5.249 1.287 1.00 0.20 H new ATOM 0 HA TYR A 161 5.671 -5.754 3.335 1.00 0.24 H new ATOM 0 HB2 TYR A 161 4.152 -7.782 1.655 1.00 0.26 H new ATOM 0 HB3 TYR A 161 5.437 -8.142 2.791 1.00 0.26 H new ATOM 0 HD1 TYR A 161 1.960 -6.944 2.499 1.00 1.05 H new ATOM 0 HD2 TYR A 161 4.968 -8.361 5.157 1.00 0.71 H new ATOM 0 HE1 TYR A 161 0.279 -7.197 4.252 1.00 1.60 H new ATOM 0 HE2 TYR A 161 3.276 -8.636 6.920 1.00 1.25 H new ATOM 0 HH TYR A 161 1.142 -8.443 7.487 1.00 2.25 H new ATOM 626 N TYR A 162 7.187 -5.334 1.417 1.00 0.27 N ATOM 627 CA TYR A 162 8.192 -5.266 0.385 1.00 0.35 C ATOM 628 C TYR A 162 9.520 -5.524 1.043 1.00 0.41 C ATOM 629 O TYR A 162 9.616 -5.508 2.250 1.00 0.46 O ATOM 630 CB TYR A 162 8.174 -3.896 -0.325 1.00 0.41 C ATOM 631 CG TYR A 162 8.758 -2.751 0.488 1.00 0.47 C ATOM 632 CD1 TYR A 162 8.373 -2.539 1.813 1.00 0.62 C ATOM 633 CD2 TYR A 162 9.672 -1.868 -0.072 1.00 0.79 C ATOM 634 CE1 TYR A 162 8.878 -1.480 2.541 1.00 0.78 C ATOM 635 CE2 TYR A 162 10.185 -0.816 0.655 1.00 0.92 C ATOM 636 CZ TYR A 162 9.869 -0.693 1.997 1.00 0.83 C ATOM 637 OH TYR A 162 10.284 0.443 2.680 1.00 1.03 O ATOM 0 H TYR A 162 7.403 -4.796 2.256 1.00 0.27 H new ATOM 0 HA TYR A 162 7.998 -6.011 -0.387 1.00 0.35 H new ATOM 0 HB2 TYR A 162 8.728 -3.979 -1.260 1.00 0.41 H new ATOM 0 HB3 TYR A 162 7.144 -3.651 -0.585 1.00 0.41 H new ATOM 0 HD1 TYR A 162 7.669 -3.214 2.276 1.00 0.62 H new ATOM 0 HD2 TYR A 162 9.986 -2.008 -1.096 1.00 0.79 H new ATOM 0 HE1 TYR A 162 8.499 -1.270 3.530 1.00 0.78 H new ATOM 0 HE2 TYR A 162 10.830 -0.091 0.180 1.00 0.92 H new ATOM 0 HH TYR A 162 11.227 0.619 2.480 1.00 1.03 H new ATOM 647 N ARG A 163 10.542 -5.754 0.292 1.00 0.49 N ATOM 648 CA ARG A 163 11.837 -5.883 0.918 1.00 0.56 C ATOM 649 C ARG A 163 12.515 -4.543 0.766 1.00 0.60 C ATOM 650 O ARG A 163 12.079 -3.738 -0.056 1.00 0.68 O ATOM 651 CB ARG A 163 12.665 -7.033 0.330 1.00 0.71 C ATOM 652 CG ARG A 163 12.770 -7.012 -1.171 1.00 0.89 C ATOM 653 CD ARG A 163 11.740 -7.930 -1.812 1.00 1.18 C ATOM 654 NE ARG A 163 12.166 -8.359 -3.146 1.00 1.82 N ATOM 655 CZ ARG A 163 11.344 -8.585 -4.170 1.00 2.23 C ATOM 656 NH1 ARG A 163 10.038 -8.414 -4.032 1.00 2.21 N ATOM 657 NH2 ARG A 163 11.834 -8.979 -5.338 1.00 3.01 N ATOM 0 H ARG A 163 10.524 -5.856 -0.723 1.00 0.49 H new ATOM 0 HA ARG A 163 11.731 -6.144 1.971 1.00 0.56 H new ATOM 0 HB2 ARG A 163 13.669 -6.997 0.754 1.00 0.71 H new ATOM 0 HB3 ARG A 163 12.222 -7.980 0.639 1.00 0.71 H new ATOM 0 HG2 ARG A 163 12.628 -5.994 -1.533 1.00 0.89 H new ATOM 0 HG3 ARG A 163 13.771 -7.320 -1.472 1.00 0.89 H new ATOM 0 HD2 ARG A 163 11.585 -8.804 -1.179 1.00 1.18 H new ATOM 0 HD3 ARG A 163 10.783 -7.413 -1.882 1.00 1.18 H new ATOM 0 HE ARG A 163 13.165 -8.495 -3.303 1.00 1.82 H new ATOM 0 HH11 ARG A 163 9.656 -8.107 -3.138 1.00 2.21 H new ATOM 0 HH12 ARG A 163 9.415 -8.589 -4.820 1.00 2.21 H new ATOM 0 HH21 ARG A 163 12.839 -9.109 -5.452 1.00 3.01 H new ATOM 0 HH22 ARG A 163 11.205 -9.152 -6.122 1.00 3.01 H new ATOM 671 N PRO A 164 13.582 -4.254 1.501 1.00 0.61 N ATOM 672 CA PRO A 164 13.975 -2.897 1.732 1.00 0.66 C ATOM 673 C PRO A 164 14.977 -2.430 0.709 1.00 0.65 C ATOM 674 O PRO A 164 15.996 -3.062 0.432 1.00 0.73 O ATOM 675 CB PRO A 164 14.603 -2.953 3.137 1.00 0.72 C ATOM 676 CG PRO A 164 14.659 -4.412 3.494 1.00 0.71 C ATOM 677 CD PRO A 164 14.477 -5.152 2.202 1.00 0.62 C ATOM 0 HA PRO A 164 13.144 -2.195 1.657 1.00 0.66 H new ATOM 0 HB2 PRO A 164 15.599 -2.510 3.140 1.00 0.72 H new ATOM 0 HB3 PRO A 164 14.004 -2.395 3.857 1.00 0.72 H new ATOM 0 HG2 PRO A 164 15.612 -4.665 3.960 1.00 0.71 H new ATOM 0 HG3 PRO A 164 13.877 -4.671 4.207 1.00 0.71 H new ATOM 0 HD2 PRO A 164 15.418 -5.295 1.671 1.00 0.62 H new ATOM 0 HD3 PRO A 164 14.040 -6.140 2.349 1.00 0.62 H new ATOM 685 N VAL A 165 14.624 -1.311 0.147 1.00 0.60 N ATOM 686 CA VAL A 165 15.330 -0.699 -0.930 1.00 0.63 C ATOM 687 C VAL A 165 16.158 0.407 -0.353 1.00 0.59 C ATOM 688 O VAL A 165 15.650 1.332 0.258 1.00 0.62 O ATOM 689 CB VAL A 165 14.304 -0.143 -1.937 1.00 0.72 C ATOM 690 CG1 VAL A 165 13.122 0.394 -1.175 1.00 0.63 C ATOM 691 CG2 VAL A 165 14.883 0.964 -2.807 1.00 0.82 C ATOM 0 H VAL A 165 13.803 -0.782 0.442 1.00 0.60 H new ATOM 0 HA VAL A 165 15.975 -1.410 -1.447 1.00 0.63 H new ATOM 0 HB VAL A 165 14.010 -0.957 -2.599 1.00 0.72 H new ATOM 0 HG11 VAL A 165 12.387 0.791 -1.876 1.00 0.63 H new ATOM 0 HG12 VAL A 165 12.670 -0.408 -0.591 1.00 0.63 H new ATOM 0 HG13 VAL A 165 13.451 1.189 -0.505 1.00 0.63 H new ATOM 0 HG21 VAL A 165 14.119 1.320 -3.498 1.00 0.82 H new ATOM 0 HG22 VAL A 165 15.213 1.788 -2.175 1.00 0.82 H new ATOM 0 HG23 VAL A 165 15.731 0.577 -3.371 1.00 0.82 H new ATOM 701 N ASP A 166 17.435 0.286 -0.479 1.00 0.68 N ATOM 702 CA ASP A 166 18.306 1.291 0.047 1.00 0.72 C ATOM 703 C ASP A 166 18.483 2.375 -0.987 1.00 0.94 C ATOM 704 O ASP A 166 19.595 2.719 -1.393 1.00 1.54 O ATOM 705 CB ASP A 166 19.598 0.654 0.488 1.00 1.14 C ATOM 706 CG ASP A 166 20.358 -0.025 -0.638 1.00 1.67 C ATOM 707 OD1 ASP A 166 19.771 -0.880 -1.330 1.00 2.37 O ATOM 708 OD2 ASP A 166 21.545 0.314 -0.852 1.00 2.09 O ATOM 0 H ASP A 166 17.902 -0.495 -0.940 1.00 0.68 H new ATOM 0 HA ASP A 166 17.880 1.764 0.932 1.00 0.72 H new ATOM 0 HB2 ASP A 166 20.235 1.417 0.936 1.00 1.14 H new ATOM 0 HB3 ASP A 166 19.385 -0.080 1.265 1.00 1.14 H new ATOM 713 N GLN A 167 17.326 2.900 -1.380 1.00 1.12 N ATOM 714 CA GLN A 167 17.183 3.889 -2.428 1.00 1.74 C ATOM 715 C GLN A 167 18.047 3.558 -3.632 1.00 1.81 C ATOM 716 O GLN A 167 19.039 4.222 -3.931 1.00 2.58 O ATOM 717 CB GLN A 167 17.431 5.297 -1.889 1.00 2.18 C ATOM 718 CG GLN A 167 18.848 5.574 -1.401 1.00 2.69 C ATOM 719 CD GLN A 167 19.107 7.044 -1.150 1.00 3.47 C ATOM 720 OE1 GLN A 167 18.932 7.541 -0.039 1.00 4.04 O ATOM 721 NE2 GLN A 167 19.521 7.751 -2.190 1.00 3.91 N ATOM 0 H GLN A 167 16.435 2.635 -0.959 1.00 1.12 H new ATOM 0 HA GLN A 167 16.152 3.863 -2.780 1.00 1.74 H new ATOM 0 HB2 GLN A 167 17.189 6.015 -2.673 1.00 2.18 H new ATOM 0 HB3 GLN A 167 16.740 5.479 -1.066 1.00 2.18 H new ATOM 0 HG2 GLN A 167 19.026 5.017 -0.481 1.00 2.69 H new ATOM 0 HG3 GLN A 167 19.560 5.206 -2.140 1.00 2.69 H new ATOM 0 HE21 GLN A 167 19.653 7.298 -3.094 1.00 3.91 H new ATOM 0 HE22 GLN A 167 19.708 8.748 -2.087 1.00 3.91 H new ATOM 730 N TYR A 168 17.650 2.509 -4.337 1.00 1.22 N ATOM 731 CA TYR A 168 18.384 2.094 -5.521 1.00 1.24 C ATOM 732 C TYR A 168 17.695 2.677 -6.747 1.00 1.21 C ATOM 733 O TYR A 168 17.898 2.242 -7.879 1.00 1.69 O ATOM 734 CB TYR A 168 18.568 0.553 -5.562 1.00 1.31 C ATOM 735 CG TYR A 168 17.483 -0.298 -6.206 1.00 1.32 C ATOM 736 CD1 TYR A 168 17.464 -0.529 -7.578 1.00 1.80 C ATOM 737 CD2 TYR A 168 16.520 -0.925 -5.431 1.00 1.79 C ATOM 738 CE1 TYR A 168 16.511 -1.348 -8.153 1.00 2.42 C ATOM 739 CE2 TYR A 168 15.560 -1.739 -5.999 1.00 2.41 C ATOM 740 CZ TYR A 168 15.560 -1.947 -7.359 1.00 2.62 C ATOM 741 OH TYR A 168 14.607 -2.763 -7.923 1.00 3.47 O ATOM 0 H TYR A 168 16.835 1.937 -4.114 1.00 1.22 H new ATOM 0 HA TYR A 168 19.401 2.487 -5.500 1.00 1.24 H new ATOM 0 HB2 TYR A 168 19.503 0.346 -6.083 1.00 1.31 H new ATOM 0 HB3 TYR A 168 18.692 0.208 -4.536 1.00 1.31 H new ATOM 0 HD1 TYR A 168 18.208 -0.060 -8.205 1.00 1.80 H new ATOM 0 HD2 TYR A 168 16.520 -0.774 -4.362 1.00 1.79 H new ATOM 0 HE1 TYR A 168 16.513 -1.517 -9.220 1.00 2.42 H new ATOM 0 HE2 TYR A 168 14.812 -2.210 -5.378 1.00 2.41 H new ATOM 0 HH TYR A 168 14.013 -3.105 -7.222 1.00 3.47 H new ATOM 751 N SER A 169 16.904 3.719 -6.467 1.00 1.36 N ATOM 752 CA SER A 169 16.193 4.502 -7.470 1.00 1.47 C ATOM 753 C SER A 169 14.944 3.779 -7.962 1.00 1.09 C ATOM 754 O SER A 169 14.213 4.306 -8.800 1.00 1.13 O ATOM 755 CB SER A 169 17.112 4.868 -8.649 1.00 1.88 C ATOM 756 OG SER A 169 16.466 5.740 -9.565 1.00 2.77 O ATOM 0 H SER A 169 16.740 4.044 -5.514 1.00 1.36 H new ATOM 0 HA SER A 169 15.875 5.428 -6.991 1.00 1.47 H new ATOM 0 HB2 SER A 169 18.018 5.342 -8.271 1.00 1.88 H new ATOM 0 HB3 SER A 169 17.420 3.959 -9.166 1.00 1.88 H new ATOM 0 HG SER A 169 15.506 5.542 -9.584 1.00 2.77 H new ATOM 762 N ASN A 170 14.665 2.597 -7.420 1.00 0.82 N ATOM 763 CA ASN A 170 13.517 1.834 -7.883 1.00 0.65 C ATOM 764 C ASN A 170 12.725 1.291 -6.714 1.00 0.56 C ATOM 765 O ASN A 170 12.934 0.167 -6.268 1.00 0.77 O ATOM 766 CB ASN A 170 13.923 0.681 -8.810 1.00 0.84 C ATOM 767 CG ASN A 170 14.448 1.138 -10.161 1.00 1.23 C ATOM 768 OD1 ASN A 170 15.335 0.508 -10.733 1.00 1.94 O ATOM 769 ND2 ASN A 170 13.885 2.209 -10.695 1.00 1.70 N ATOM 0 H ASN A 170 15.206 2.157 -6.676 1.00 0.82 H new ATOM 0 HA ASN A 170 12.894 2.522 -8.455 1.00 0.65 H new ATOM 0 HB2 ASN A 170 14.689 0.082 -8.316 1.00 0.84 H new ATOM 0 HB3 ASN A 170 13.062 0.031 -8.966 1.00 0.84 H new ATOM 0 HD21 ASN A 170 14.184 2.539 -11.613 1.00 1.70 H new ATOM 0 HD22 ASN A 170 13.151 2.705 -10.189 1.00 1.70 H new ATOM 776 N GLN A 171 11.834 2.114 -6.208 1.00 0.41 N ATOM 777 CA GLN A 171 10.898 1.691 -5.198 1.00 0.37 C ATOM 778 C GLN A 171 9.688 1.164 -5.907 1.00 0.29 C ATOM 779 O GLN A 171 9.122 0.169 -5.521 1.00 0.34 O ATOM 780 CB GLN A 171 10.495 2.857 -4.297 1.00 0.57 C ATOM 781 CG GLN A 171 9.415 3.783 -4.874 1.00 1.32 C ATOM 782 CD GLN A 171 9.785 4.438 -6.209 1.00 2.56 C ATOM 783 OE1 GLN A 171 8.920 4.749 -7.017 1.00 3.22 O ATOM 784 NE2 GLN A 171 11.068 4.663 -6.439 1.00 3.29 N ATOM 0 H GLN A 171 11.740 3.091 -6.486 1.00 0.41 H new ATOM 0 HA GLN A 171 11.354 0.929 -4.566 1.00 0.37 H new ATOM 0 HB2 GLN A 171 10.139 2.456 -3.348 1.00 0.57 H new ATOM 0 HB3 GLN A 171 11.382 3.451 -4.079 1.00 0.57 H new ATOM 0 HG2 GLN A 171 8.497 3.211 -5.007 1.00 1.32 H new ATOM 0 HG3 GLN A 171 9.200 4.566 -4.147 1.00 1.32 H new ATOM 0 HE21 GLN A 171 11.766 4.392 -5.746 1.00 3.29 H new ATOM 0 HE22 GLN A 171 11.360 5.107 -7.310 1.00 3.29 H new ATOM 793 N ASN A 172 9.367 1.855 -6.996 1.00 0.35 N ATOM 794 CA ASN A 172 8.242 1.582 -7.861 1.00 0.42 C ATOM 795 C ASN A 172 8.323 0.174 -8.384 1.00 0.42 C ATOM 796 O ASN A 172 7.333 -0.428 -8.806 1.00 0.48 O ATOM 797 CB ASN A 172 8.285 2.619 -8.978 1.00 0.47 C ATOM 798 CG ASN A 172 7.431 2.267 -10.182 1.00 0.54 C ATOM 799 OD1 ASN A 172 6.230 2.534 -10.202 1.00 1.24 O ATOM 800 ND2 ASN A 172 8.043 1.691 -11.207 1.00 1.02 N ATOM 0 H ASN A 172 9.915 2.657 -7.308 1.00 0.35 H new ATOM 0 HA ASN A 172 7.293 1.656 -7.330 1.00 0.42 H new ATOM 0 HB2 ASN A 172 7.956 3.579 -8.581 1.00 0.47 H new ATOM 0 HB3 ASN A 172 9.318 2.745 -9.303 1.00 0.47 H new ATOM 0 HD21 ASN A 172 7.516 1.454 -12.048 1.00 1.02 H new ATOM 0 HD22 ASN A 172 9.040 1.484 -11.155 1.00 1.02 H new ATOM 807 N ASN A 173 9.515 -0.350 -8.271 1.00 0.40 N ATOM 808 CA ASN A 173 9.774 -1.727 -8.627 1.00 0.50 C ATOM 809 C ASN A 173 9.241 -2.608 -7.503 1.00 0.44 C ATOM 810 O ASN A 173 8.399 -3.497 -7.712 1.00 0.46 O ATOM 811 CB ASN A 173 11.272 -1.924 -8.811 1.00 0.63 C ATOM 812 CG ASN A 173 11.607 -3.086 -9.731 1.00 0.77 C ATOM 813 OD1 ASN A 173 10.849 -4.052 -9.845 1.00 1.33 O ATOM 814 ND2 ASN A 173 12.749 -3.005 -10.393 1.00 1.44 N ATOM 0 H ASN A 173 10.331 0.159 -7.932 1.00 0.40 H new ATOM 0 HA ASN A 173 9.281 -1.993 -9.562 1.00 0.50 H new ATOM 0 HB2 ASN A 173 11.707 -1.010 -9.216 1.00 0.63 H new ATOM 0 HB3 ASN A 173 11.733 -2.093 -7.838 1.00 0.63 H new ATOM 0 HD21 ASN A 173 13.028 -3.757 -11.023 1.00 1.44 H new ATOM 0 HD22 ASN A 173 13.351 -2.190 -10.274 1.00 1.44 H new ATOM 821 N PHE A 174 9.667 -2.280 -6.284 1.00 0.42 N ATOM 822 CA PHE A 174 9.210 -2.987 -5.103 1.00 0.42 C ATOM 823 C PHE A 174 7.744 -2.702 -4.848 1.00 0.33 C ATOM 824 O PHE A 174 7.079 -3.432 -4.131 1.00 0.34 O ATOM 825 CB PHE A 174 10.022 -2.565 -3.889 1.00 0.49 C ATOM 826 CG PHE A 174 11.373 -3.206 -3.829 1.00 0.60 C ATOM 827 CD1 PHE A 174 11.520 -4.568 -4.018 1.00 1.03 C ATOM 828 CD2 PHE A 174 12.501 -2.445 -3.572 1.00 1.56 C ATOM 829 CE1 PHE A 174 12.768 -5.159 -3.955 1.00 1.38 C ATOM 830 CE2 PHE A 174 13.749 -3.031 -3.507 1.00 1.90 C ATOM 831 CZ PHE A 174 13.881 -4.397 -3.737 1.00 1.53 C ATOM 0 H PHE A 174 10.329 -1.527 -6.095 1.00 0.42 H new ATOM 0 HA PHE A 174 9.343 -4.055 -5.274 1.00 0.42 H new ATOM 0 HB2 PHE A 174 10.142 -1.482 -3.899 1.00 0.49 H new ATOM 0 HB3 PHE A 174 9.468 -2.816 -2.985 1.00 0.49 H new ATOM 0 HD1 PHE A 174 10.650 -5.177 -4.217 1.00 1.03 H new ATOM 0 HD2 PHE A 174 12.403 -1.380 -3.421 1.00 1.56 H new ATOM 0 HE1 PHE A 174 12.864 -6.228 -4.079 1.00 1.38 H new ATOM 0 HE2 PHE A 174 14.619 -2.432 -3.279 1.00 1.90 H new ATOM 0 HZ PHE A 174 14.860 -4.853 -3.743 1.00 1.53 H new ATOM 841 N VAL A 175 7.261 -1.622 -5.433 1.00 0.29 N ATOM 842 CA VAL A 175 5.884 -1.225 -5.279 1.00 0.25 C ATOM 843 C VAL A 175 4.967 -2.174 -5.985 1.00 0.25 C ATOM 844 O VAL A 175 4.177 -2.832 -5.352 1.00 0.28 O ATOM 845 CB VAL A 175 5.604 0.148 -5.844 1.00 0.26 C ATOM 846 CG1 VAL A 175 4.149 0.496 -5.602 1.00 0.26 C ATOM 847 CG2 VAL A 175 6.515 1.163 -5.227 1.00 0.33 C ATOM 0 H VAL A 175 7.813 -1.001 -6.025 1.00 0.29 H new ATOM 0 HA VAL A 175 5.706 -1.224 -4.204 1.00 0.25 H new ATOM 0 HB VAL A 175 5.793 0.149 -6.918 1.00 0.26 H new ATOM 0 HG11 VAL A 175 3.939 1.486 -6.007 1.00 0.26 H new ATOM 0 HG12 VAL A 175 3.512 -0.240 -6.094 1.00 0.26 H new ATOM 0 HG13 VAL A 175 3.947 0.492 -4.531 1.00 0.26 H new ATOM 0 HG21 VAL A 175 6.300 2.146 -5.645 1.00 0.33 H new ATOM 0 HG22 VAL A 175 6.358 1.185 -4.149 1.00 0.33 H new ATOM 0 HG23 VAL A 175 7.551 0.898 -5.438 1.00 0.33 H new ATOM 857 N HIS A 176 5.066 -2.220 -7.306 1.00 0.27 N ATOM 858 CA HIS A 176 4.236 -3.123 -8.093 1.00 0.33 C ATOM 859 C HIS A 176 4.273 -4.520 -7.494 1.00 0.28 C ATOM 860 O HIS A 176 3.295 -5.248 -7.545 1.00 0.29 O ATOM 861 CB HIS A 176 4.684 -3.147 -9.555 1.00 0.41 C ATOM 862 CG HIS A 176 4.322 -1.897 -10.300 1.00 1.16 C ATOM 863 ND1 HIS A 176 5.236 -1.134 -10.992 1.00 2.23 N ATOM 864 CD2 HIS A 176 3.126 -1.281 -10.459 1.00 1.62 C ATOM 865 CE1 HIS A 176 4.620 -0.105 -11.542 1.00 2.89 C ATOM 866 NE2 HIS A 176 3.339 -0.169 -11.234 1.00 2.52 N ATOM 0 H HIS A 176 5.708 -1.647 -7.853 1.00 0.27 H new ATOM 0 HA HIS A 176 3.209 -2.758 -8.068 1.00 0.33 H new ATOM 0 HB2 HIS A 176 5.764 -3.288 -9.596 1.00 0.41 H new ATOM 0 HB3 HIS A 176 4.232 -4.004 -10.054 1.00 0.41 H new ATOM 0 HD2 HIS A 176 2.180 -1.605 -10.051 1.00 1.62 H new ATOM 0 HE1 HIS A 176 5.086 0.661 -12.144 1.00 2.89 H new ATOM 0 HE2 HIS A 176 2.624 0.498 -11.524 1.00 2.52 H new ATOM 875 N ASP A 177 5.398 -4.844 -6.874 1.00 0.26 N ATOM 876 CA ASP A 177 5.561 -6.109 -6.174 1.00 0.27 C ATOM 877 C ASP A 177 4.851 -6.094 -4.812 1.00 0.24 C ATOM 878 O ASP A 177 4.233 -7.078 -4.414 1.00 0.31 O ATOM 879 CB ASP A 177 7.051 -6.410 -5.997 1.00 0.36 C ATOM 880 CG ASP A 177 7.321 -7.727 -5.300 1.00 0.49 C ATOM 881 OD1 ASP A 177 7.376 -7.745 -4.055 1.00 0.64 O ATOM 882 OD2 ASP A 177 7.528 -8.743 -6.000 1.00 0.66 O ATOM 0 H ASP A 177 6.220 -4.241 -6.842 1.00 0.26 H new ATOM 0 HA ASP A 177 5.101 -6.895 -6.774 1.00 0.27 H new ATOM 0 HB2 ASP A 177 7.530 -6.421 -6.976 1.00 0.36 H new ATOM 0 HB3 ASP A 177 7.511 -5.604 -5.425 1.00 0.36 H new ATOM 887 N CYS A 178 4.918 -4.964 -4.124 1.00 0.26 N ATOM 888 CA CYS A 178 4.300 -4.810 -2.811 1.00 0.29 C ATOM 889 C CYS A 178 2.779 -4.699 -2.949 1.00 0.27 C ATOM 890 O CYS A 178 2.035 -5.232 -2.147 1.00 0.32 O ATOM 891 CB CYS A 178 4.834 -3.576 -2.075 1.00 0.41 C ATOM 892 SG CYS A 178 3.935 -2.040 -2.479 1.00 0.64 S ATOM 0 H CYS A 178 5.400 -4.129 -4.457 1.00 0.26 H new ATOM 0 HA CYS A 178 4.554 -5.695 -2.227 1.00 0.29 H new ATOM 0 HB2 CYS A 178 4.775 -3.750 -1.001 1.00 0.41 H new ATOM 0 HB3 CYS A 178 5.888 -3.445 -2.319 1.00 0.41 H new ATOM 897 N VAL A 179 2.294 -4.002 -3.962 1.00 0.23 N ATOM 898 CA VAL A 179 0.866 -3.993 -4.197 1.00 0.20 C ATOM 899 C VAL A 179 0.474 -5.393 -4.650 1.00 0.21 C ATOM 900 O VAL A 179 -0.602 -5.886 -4.353 1.00 0.28 O ATOM 901 CB VAL A 179 0.398 -2.928 -5.251 1.00 0.19 C ATOM 902 CG1 VAL A 179 -0.676 -2.027 -4.693 1.00 0.67 C ATOM 903 CG2 VAL A 179 1.525 -2.049 -5.733 1.00 0.57 C ATOM 0 H VAL A 179 2.850 -3.451 -4.616 1.00 0.23 H new ATOM 0 HA VAL A 179 0.370 -3.709 -3.269 1.00 0.20 H new ATOM 0 HB VAL A 179 0.011 -3.509 -6.088 1.00 0.19 H new ATOM 0 HG11 VAL A 179 -0.974 -1.303 -5.452 1.00 0.67 H new ATOM 0 HG12 VAL A 179 -1.539 -2.626 -4.404 1.00 0.67 H new ATOM 0 HG13 VAL A 179 -0.291 -1.500 -3.820 1.00 0.67 H new ATOM 0 HG21 VAL A 179 1.142 -1.332 -6.460 1.00 0.57 H new ATOM 0 HG22 VAL A 179 1.956 -1.513 -4.887 1.00 0.57 H new ATOM 0 HG23 VAL A 179 2.293 -2.665 -6.201 1.00 0.57 H new ATOM 913 N ASN A 180 1.397 -6.071 -5.297 1.00 0.23 N ATOM 914 CA ASN A 180 1.159 -7.439 -5.711 1.00 0.24 C ATOM 915 C ASN A 180 1.109 -8.388 -4.536 1.00 0.25 C ATOM 916 O ASN A 180 0.549 -9.469 -4.645 1.00 0.26 O ATOM 917 CB ASN A 180 2.244 -7.927 -6.667 1.00 0.25 C ATOM 918 CG ASN A 180 1.878 -7.762 -8.130 1.00 0.48 C ATOM 919 OD1 ASN A 180 0.702 -7.753 -8.494 1.00 1.17 O ATOM 920 ND2 ASN A 180 2.888 -7.663 -8.980 1.00 1.33 N ATOM 0 H ASN A 180 2.314 -5.701 -5.547 1.00 0.23 H new ATOM 0 HA ASN A 180 0.191 -7.435 -6.213 1.00 0.24 H new ATOM 0 HB2 ASN A 180 3.166 -7.381 -6.467 1.00 0.25 H new ATOM 0 HB3 ASN A 180 2.447 -8.979 -6.468 1.00 0.25 H new ATOM 0 HD21 ASN A 180 2.706 -7.575 -9.980 1.00 1.33 H new ATOM 0 HD22 ASN A 180 3.848 -7.675 -8.635 1.00 1.33 H new ATOM 927 N ILE A 181 1.738 -8.029 -3.441 1.00 0.28 N ATOM 928 CA ILE A 181 1.702 -8.880 -2.272 1.00 0.29 C ATOM 929 C ILE A 181 0.660 -8.434 -1.254 1.00 0.27 C ATOM 930 O ILE A 181 0.156 -9.245 -0.506 1.00 0.36 O ATOM 931 CB ILE A 181 3.075 -9.005 -1.577 1.00 0.34 C ATOM 932 CG1 ILE A 181 3.714 -7.659 -1.256 1.00 0.42 C ATOM 933 CG2 ILE A 181 4.034 -9.853 -2.394 1.00 0.52 C ATOM 934 CD1 ILE A 181 3.016 -6.887 -0.161 1.00 0.77 C ATOM 0 H ILE A 181 2.273 -7.167 -3.334 1.00 0.28 H new ATOM 0 HA ILE A 181 1.420 -9.862 -2.652 1.00 0.29 H new ATOM 0 HB ILE A 181 2.878 -9.501 -0.627 1.00 0.34 H new ATOM 0 HG12 ILE A 181 4.752 -7.822 -0.965 1.00 0.42 H new ATOM 0 HG13 ILE A 181 3.729 -7.051 -2.161 1.00 0.42 H new ATOM 0 HG21 ILE A 181 4.991 -9.921 -1.877 1.00 0.52 H new ATOM 0 HG22 ILE A 181 3.618 -10.853 -2.521 1.00 0.52 H new ATOM 0 HG23 ILE A 181 4.182 -9.395 -3.372 1.00 0.52 H new ATOM 0 HD11 ILE A 181 3.534 -5.942 0.005 1.00 0.77 H new ATOM 0 HD12 ILE A 181 1.985 -6.689 -0.456 1.00 0.77 H new ATOM 0 HD13 ILE A 181 3.024 -7.472 0.759 1.00 0.77 H new ATOM 946 N THR A 182 0.379 -7.142 -1.223 1.00 0.27 N ATOM 947 CA THR A 182 -0.357 -6.526 -0.129 1.00 0.24 C ATOM 948 C THR A 182 -1.826 -6.402 -0.411 1.00 0.26 C ATOM 949 O THR A 182 -2.667 -6.565 0.473 1.00 0.30 O ATOM 950 CB THR A 182 0.244 -5.146 0.163 1.00 0.22 C ATOM 951 OG1 THR A 182 0.788 -5.122 1.484 1.00 0.46 O ATOM 952 CG2 THR A 182 -0.780 -4.038 -0.004 1.00 0.30 C ATOM 0 H THR A 182 0.655 -6.489 -1.956 1.00 0.27 H new ATOM 0 HA THR A 182 -0.263 -7.176 0.741 1.00 0.24 H new ATOM 0 HB THR A 182 1.039 -4.968 -0.561 1.00 0.22 H new ATOM 0 HG1 THR A 182 0.090 -4.861 2.121 1.00 0.46 H new ATOM 0 HG21 THR A 182 -0.314 -3.077 0.212 1.00 0.30 H new ATOM 0 HG22 THR A 182 -1.153 -4.039 -1.028 1.00 0.30 H new ATOM 0 HG23 THR A 182 -1.609 -4.202 0.684 1.00 0.30 H new ATOM 960 N VAL A 183 -2.142 -6.096 -1.629 1.00 0.26 N ATOM 961 CA VAL A 183 -3.508 -6.017 -2.006 1.00 0.28 C ATOM 962 C VAL A 183 -3.952 -7.444 -2.114 1.00 0.29 C ATOM 963 O VAL A 183 -5.027 -7.831 -1.691 1.00 0.32 O ATOM 964 CB VAL A 183 -3.639 -5.222 -3.313 1.00 0.28 C ATOM 965 CG1 VAL A 183 -2.572 -4.173 -3.334 1.00 0.26 C ATOM 966 CG2 VAL A 183 -3.569 -6.102 -4.548 1.00 0.29 C ATOM 0 H VAL A 183 -1.473 -5.898 -2.373 1.00 0.26 H new ATOM 0 HA VAL A 183 -4.138 -5.485 -1.293 1.00 0.28 H new ATOM 0 HB VAL A 183 -4.625 -4.759 -3.341 1.00 0.28 H new ATOM 0 HG11 VAL A 183 -2.647 -3.596 -4.256 1.00 0.26 H new ATOM 0 HG12 VAL A 183 -2.698 -3.509 -2.479 1.00 0.26 H new ATOM 0 HG13 VAL A 183 -1.593 -4.649 -3.283 1.00 0.26 H new ATOM 0 HG21 VAL A 183 -3.667 -5.484 -5.441 1.00 0.29 H new ATOM 0 HG22 VAL A 183 -2.611 -6.622 -4.570 1.00 0.29 H new ATOM 0 HG23 VAL A 183 -4.378 -6.832 -4.521 1.00 0.29 H new ATOM 976 N LYS A 184 -2.992 -8.237 -2.540 1.00 0.30 N ATOM 977 CA LYS A 184 -3.124 -9.658 -2.638 1.00 0.32 C ATOM 978 C LYS A 184 -3.184 -10.294 -1.273 1.00 0.32 C ATOM 979 O LYS A 184 -3.975 -11.196 -1.035 1.00 0.38 O ATOM 980 CB LYS A 184 -1.946 -10.183 -3.414 1.00 0.34 C ATOM 981 CG LYS A 184 -2.290 -10.498 -4.845 1.00 0.37 C ATOM 982 CD LYS A 184 -2.833 -9.274 -5.549 1.00 1.01 C ATOM 983 CE LYS A 184 -1.907 -8.801 -6.657 1.00 1.37 C ATOM 984 NZ LYS A 184 -1.853 -9.768 -7.785 1.00 2.14 N ATOM 0 H LYS A 184 -2.078 -7.893 -2.833 1.00 0.30 H new ATOM 0 HA LYS A 184 -4.054 -9.906 -3.149 1.00 0.32 H new ATOM 0 HB2 LYS A 184 -1.143 -9.446 -3.391 1.00 0.34 H new ATOM 0 HB3 LYS A 184 -1.568 -11.083 -2.929 1.00 0.34 H new ATOM 0 HG2 LYS A 184 -1.403 -10.859 -5.366 1.00 0.37 H new ATOM 0 HG3 LYS A 184 -3.028 -11.300 -4.878 1.00 0.37 H new ATOM 0 HD2 LYS A 184 -3.814 -9.501 -5.967 1.00 1.01 H new ATOM 0 HD3 LYS A 184 -2.973 -8.471 -4.825 1.00 1.01 H new ATOM 0 HE2 LYS A 184 -2.246 -7.833 -7.025 1.00 1.37 H new ATOM 0 HE3 LYS A 184 -0.904 -8.656 -6.255 1.00 1.37 H new ATOM 0 HZ1 LYS A 184 -1.427 -9.309 -8.615 1.00 2.14 H new ATOM 0 HZ2 LYS A 184 -1.278 -10.590 -7.510 1.00 2.14 H new ATOM 0 HZ3 LYS A 184 -2.816 -10.082 -8.020 1.00 2.14 H new ATOM 998 N GLN A 185 -2.355 -9.803 -0.375 1.00 0.31 N ATOM 999 CA GLN A 185 -2.379 -10.231 1.010 1.00 0.39 C ATOM 1000 C GLN A 185 -3.815 -10.206 1.515 1.00 0.38 C ATOM 1001 O GLN A 185 -4.230 -11.043 2.305 1.00 0.44 O ATOM 1002 CB GLN A 185 -1.497 -9.293 1.855 1.00 0.56 C ATOM 1003 CG GLN A 185 -2.291 -8.350 2.745 1.00 1.32 C ATOM 1004 CD GLN A 185 -1.769 -8.270 4.163 1.00 1.75 C ATOM 1005 OE1 GLN A 185 -1.890 -7.235 4.814 1.00 2.11 O ATOM 1006 NE2 GLN A 185 -1.205 -9.360 4.657 1.00 2.02 N ATOM 0 H GLN A 185 -1.647 -9.098 -0.583 1.00 0.31 H new ATOM 0 HA GLN A 185 -1.989 -11.245 1.093 1.00 0.39 H new ATOM 0 HB2 GLN A 185 -0.834 -9.894 2.477 1.00 0.56 H new ATOM 0 HB3 GLN A 185 -0.865 -8.705 1.190 1.00 0.56 H new ATOM 0 HG2 GLN A 185 -2.278 -7.353 2.306 1.00 1.32 H new ATOM 0 HG3 GLN A 185 -3.331 -8.675 2.768 1.00 1.32 H new ATOM 0 HE21 GLN A 185 -1.125 -10.198 4.082 1.00 2.02 H new ATOM 0 HE22 GLN A 185 -0.850 -9.362 5.613 1.00 2.02 H new ATOM 1015 N HIS A 186 -4.557 -9.232 1.006 1.00 0.36 N ATOM 1016 CA HIS A 186 -5.915 -8.971 1.418 1.00 0.44 C ATOM 1017 C HIS A 186 -6.961 -9.577 0.484 1.00 0.51 C ATOM 1018 O HIS A 186 -8.121 -9.704 0.852 1.00 0.67 O ATOM 1019 CB HIS A 186 -6.102 -7.473 1.510 1.00 0.49 C ATOM 1020 CG HIS A 186 -5.724 -6.927 2.849 1.00 0.55 C ATOM 1021 ND1 HIS A 186 -4.612 -6.136 3.050 1.00 0.73 N ATOM 1022 CD2 HIS A 186 -6.298 -7.079 4.067 1.00 1.09 C ATOM 1023 CE1 HIS A 186 -4.519 -5.826 4.330 1.00 0.65 C ATOM 1024 NE2 HIS A 186 -5.530 -6.385 4.969 1.00 0.91 N ATOM 0 H HIS A 186 -4.220 -8.595 0.284 1.00 0.36 H new ATOM 0 HA HIS A 186 -6.069 -9.449 2.386 1.00 0.44 H new ATOM 0 HB2 HIS A 186 -5.501 -6.988 0.741 1.00 0.49 H new ATOM 0 HB3 HIS A 186 -7.143 -7.227 1.303 1.00 0.49 H new ATOM 0 HD1 HIS A 186 -3.962 -5.837 2.323 1.00 0.73 H new ATOM 0 HD2 HIS A 186 -7.193 -7.642 4.287 1.00 1.09 H new ATOM 0 HE1 HIS A 186 -3.747 -5.218 4.778 1.00 0.65 H new ATOM 1033 N THR A 187 -6.562 -9.956 -0.708 1.00 0.48 N ATOM 1034 CA THR A 187 -7.522 -10.434 -1.685 1.00 0.59 C ATOM 1035 C THR A 187 -7.160 -11.824 -2.178 1.00 0.62 C ATOM 1036 O THR A 187 -7.722 -12.309 -3.161 1.00 0.80 O ATOM 1037 CB THR A 187 -7.641 -9.467 -2.886 1.00 0.72 C ATOM 1038 OG1 THR A 187 -8.709 -9.875 -3.750 1.00 0.89 O ATOM 1039 CG2 THR A 187 -6.344 -9.412 -3.679 1.00 0.75 C ATOM 0 H THR A 187 -5.593 -9.945 -1.025 1.00 0.48 H new ATOM 0 HA THR A 187 -8.488 -10.480 -1.183 1.00 0.59 H new ATOM 0 HB THR A 187 -7.851 -8.473 -2.491 1.00 0.72 H new ATOM 0 HG1 THR A 187 -8.732 -10.853 -3.802 1.00 0.89 H new ATOM 0 HG21 THR A 187 -6.459 -8.724 -4.517 1.00 0.75 H new ATOM 0 HG22 THR A 187 -5.537 -9.066 -3.033 1.00 0.75 H new ATOM 0 HG23 THR A 187 -6.106 -10.407 -4.056 1.00 0.75 H new ATOM 1047 N VAL A 188 -6.229 -12.479 -1.493 1.00 0.55 N ATOM 1048 CA VAL A 188 -5.810 -13.816 -1.910 1.00 0.63 C ATOM 1049 C VAL A 188 -5.479 -14.685 -0.709 1.00 0.66 C ATOM 1050 O VAL A 188 -5.765 -15.879 -0.692 1.00 0.78 O ATOM 1051 CB VAL A 188 -4.614 -13.794 -2.909 1.00 0.69 C ATOM 1052 CG1 VAL A 188 -4.723 -12.605 -3.844 1.00 0.66 C ATOM 1053 CG2 VAL A 188 -3.260 -13.798 -2.207 1.00 0.84 C ATOM 0 H VAL A 188 -5.758 -12.118 -0.664 1.00 0.55 H new ATOM 0 HA VAL A 188 -6.659 -14.249 -2.439 1.00 0.63 H new ATOM 0 HB VAL A 188 -4.672 -14.714 -3.490 1.00 0.69 H new ATOM 0 HG11 VAL A 188 -3.879 -12.606 -4.534 1.00 0.66 H new ATOM 0 HG12 VAL A 188 -5.653 -12.670 -4.408 1.00 0.66 H new ATOM 0 HG13 VAL A 188 -4.715 -11.683 -3.263 1.00 0.66 H new ATOM 0 HG21 VAL A 188 -2.464 -13.782 -2.952 1.00 0.84 H new ATOM 0 HG22 VAL A 188 -3.178 -12.918 -1.569 1.00 0.84 H new ATOM 0 HG23 VAL A 188 -3.169 -14.697 -1.598 1.00 0.84 H new ATOM 1063 N THR A 189 -4.877 -14.078 0.294 1.00 0.65 N ATOM 1064 CA THR A 189 -4.662 -14.739 1.561 1.00 0.79 C ATOM 1065 C THR A 189 -5.719 -14.236 2.529 1.00 0.83 C ATOM 1066 O THR A 189 -5.724 -14.561 3.715 1.00 1.04 O ATOM 1067 CB THR A 189 -3.251 -14.428 2.104 1.00 0.88 C ATOM 1068 OG1 THR A 189 -2.304 -14.491 1.028 1.00 0.90 O ATOM 1069 CG2 THR A 189 -2.840 -15.414 3.188 1.00 1.12 C ATOM 0 H THR A 189 -4.527 -13.121 0.253 1.00 0.65 H new ATOM 0 HA THR A 189 -4.738 -15.819 1.438 1.00 0.79 H new ATOM 0 HB THR A 189 -3.269 -13.429 2.540 1.00 0.88 H new ATOM 0 HG1 THR A 189 -1.407 -14.292 1.369 1.00 0.90 H new ATOM 0 HG21 THR A 189 -1.841 -15.165 3.547 1.00 1.12 H new ATOM 0 HG22 THR A 189 -3.547 -15.360 4.016 1.00 1.12 H new ATOM 0 HG23 THR A 189 -2.837 -16.424 2.779 1.00 1.12 H new ATOM 1077 N THR A 190 -6.633 -13.439 1.986 1.00 0.73 N ATOM 1078 CA THR A 190 -7.600 -12.741 2.791 1.00 0.76 C ATOM 1079 C THR A 190 -8.961 -12.597 2.076 1.00 0.80 C ATOM 1080 O THR A 190 -9.920 -12.070 2.633 1.00 1.06 O ATOM 1081 CB THR A 190 -7.004 -11.376 3.230 1.00 0.90 C ATOM 1082 OG1 THR A 190 -5.960 -11.589 4.189 1.00 1.00 O ATOM 1083 CG2 THR A 190 -8.029 -10.422 3.810 1.00 0.93 C ATOM 0 H THR A 190 -6.716 -13.267 0.984 1.00 0.73 H new ATOM 0 HA THR A 190 -7.811 -13.329 3.684 1.00 0.76 H new ATOM 0 HB THR A 190 -6.614 -10.908 2.326 1.00 0.90 H new ATOM 0 HG1 THR A 190 -5.091 -11.577 3.735 1.00 1.00 H new ATOM 0 HG21 THR A 190 -7.539 -9.490 4.094 1.00 0.93 H new ATOM 0 HG22 THR A 190 -8.797 -10.216 3.064 1.00 0.93 H new ATOM 0 HG23 THR A 190 -8.489 -10.873 4.689 1.00 0.93 H new ATOM 1091 N THR A 191 -9.088 -13.159 0.880 1.00 0.99 N ATOM 1092 CA THR A 191 -10.356 -13.093 0.154 1.00 1.23 C ATOM 1093 C THR A 191 -11.437 -13.881 0.883 1.00 1.92 C ATOM 1094 O THR A 191 -12.628 -13.767 0.595 1.00 2.15 O ATOM 1095 CB THR A 191 -10.213 -13.654 -1.267 1.00 1.39 C ATOM 1096 OG1 THR A 191 -8.869 -14.097 -1.478 1.00 1.97 O ATOM 1097 CG2 THR A 191 -10.596 -12.608 -2.302 1.00 1.11 C ATOM 0 H THR A 191 -8.342 -13.659 0.396 1.00 0.99 H new ATOM 0 HA THR A 191 -10.640 -12.042 0.099 1.00 1.23 H new ATOM 0 HB THR A 191 -10.890 -14.501 -1.379 1.00 1.39 H new ATOM 0 HG1 THR A 191 -8.720 -14.934 -0.991 1.00 1.97 H new ATOM 0 HG21 THR A 191 -10.487 -13.028 -3.302 1.00 1.11 H new ATOM 0 HG22 THR A 191 -11.631 -12.305 -2.147 1.00 1.11 H new ATOM 0 HG23 THR A 191 -9.945 -11.740 -2.200 1.00 1.11 H new ATOM 1105 N THR A 192 -10.995 -14.642 1.856 1.00 2.28 N ATOM 1106 CA THR A 192 -11.826 -15.605 2.543 1.00 3.04 C ATOM 1107 C THR A 192 -12.600 -14.991 3.715 1.00 2.58 C ATOM 1108 O THR A 192 -13.677 -15.474 4.064 1.00 3.13 O ATOM 1109 CB THR A 192 -10.949 -16.769 3.024 1.00 3.85 C ATOM 1110 OG1 THR A 192 -11.753 -17.893 3.399 1.00 4.36 O ATOM 1111 CG2 THR A 192 -10.053 -16.359 4.186 1.00 3.79 C ATOM 0 H THR A 192 -10.035 -14.610 2.198 1.00 2.28 H new ATOM 0 HA THR A 192 -12.576 -15.965 1.838 1.00 3.04 H new ATOM 0 HB THR A 192 -10.309 -17.054 2.189 1.00 3.85 H new ATOM 0 HG1 THR A 192 -11.174 -18.624 3.701 1.00 4.36 H new ATOM 0 HG21 THR A 192 -9.448 -17.211 4.497 1.00 3.79 H new ATOM 0 HG22 THR A 192 -9.399 -15.545 3.872 1.00 3.79 H new ATOM 0 HG23 THR A 192 -10.670 -16.027 5.021 1.00 3.79 H new ATOM 1119 N LYS A 193 -12.079 -13.913 4.302 1.00 1.64 N ATOM 1120 CA LYS A 193 -12.757 -13.271 5.427 1.00 1.28 C ATOM 1121 C LYS A 193 -13.979 -12.520 4.931 1.00 0.90 C ATOM 1122 O LYS A 193 -14.865 -12.153 5.698 1.00 0.99 O ATOM 1123 CB LYS A 193 -11.821 -12.301 6.151 1.00 1.60 C ATOM 1124 CG LYS A 193 -11.072 -11.379 5.205 1.00 1.66 C ATOM 1125 CD LYS A 193 -11.211 -9.912 5.571 1.00 1.62 C ATOM 1126 CE LYS A 193 -12.630 -9.406 5.381 1.00 1.60 C ATOM 1127 NZ LYS A 193 -12.744 -7.955 5.674 1.00 2.07 N ATOM 0 H LYS A 193 -11.203 -13.472 4.022 1.00 1.64 H new ATOM 0 HA LYS A 193 -13.061 -14.048 6.129 1.00 1.28 H new ATOM 0 HB2 LYS A 193 -12.401 -11.700 6.851 1.00 1.60 H new ATOM 0 HB3 LYS A 193 -11.102 -12.870 6.739 1.00 1.60 H new ATOM 0 HG2 LYS A 193 -10.016 -11.649 5.204 1.00 1.66 H new ATOM 0 HG3 LYS A 193 -11.441 -11.531 4.191 1.00 1.66 H new ATOM 0 HD2 LYS A 193 -10.912 -9.768 6.609 1.00 1.62 H new ATOM 0 HD3 LYS A 193 -10.531 -9.320 4.958 1.00 1.62 H new ATOM 0 HE2 LYS A 193 -12.949 -9.596 4.356 1.00 1.60 H new ATOM 0 HE3 LYS A 193 -13.304 -9.962 6.033 1.00 1.60 H new ATOM 0 HZ1 LYS A 193 -13.619 -7.584 5.253 1.00 2.07 H new ATOM 0 HZ2 LYS A 193 -12.766 -7.809 6.704 1.00 2.07 H new ATOM 0 HZ3 LYS A 193 -11.927 -7.454 5.271 1.00 2.07 H new ATOM 1141 N GLY A 194 -14.001 -12.294 3.631 1.00 0.89 N ATOM 1142 CA GLY A 194 -15.054 -11.523 3.027 1.00 0.84 C ATOM 1143 C GLY A 194 -14.477 -10.302 2.370 1.00 0.70 C ATOM 1144 O GLY A 194 -15.155 -9.293 2.198 1.00 0.98 O ATOM 0 H GLY A 194 -13.297 -12.637 2.978 1.00 0.89 H new ATOM 0 HA2 GLY A 194 -15.584 -12.128 2.291 1.00 0.84 H new ATOM 0 HA3 GLY A 194 -15.783 -11.231 3.783 1.00 0.84 H new ATOM 1148 N GLU A 195 -13.210 -10.405 1.991 1.00 0.54 N ATOM 1149 CA GLU A 195 -12.502 -9.279 1.421 1.00 0.62 C ATOM 1150 C GLU A 195 -12.429 -9.444 -0.086 1.00 0.62 C ATOM 1151 O GLU A 195 -11.778 -10.352 -0.593 1.00 0.88 O ATOM 1152 CB GLU A 195 -11.102 -9.195 2.029 1.00 0.91 C ATOM 1153 CG GLU A 195 -10.491 -7.821 1.991 1.00 1.17 C ATOM 1154 CD GLU A 195 -11.281 -6.828 2.814 1.00 1.69 C ATOM 1155 OE1 GLU A 195 -11.024 -6.729 4.037 1.00 2.30 O ATOM 1156 OE2 GLU A 195 -12.174 -6.162 2.255 1.00 1.98 O ATOM 0 H GLU A 195 -12.657 -11.258 2.070 1.00 0.54 H new ATOM 0 HA GLU A 195 -13.031 -8.353 1.645 1.00 0.62 H new ATOM 0 HB2 GLU A 195 -11.148 -9.531 3.065 1.00 0.91 H new ATOM 0 HB3 GLU A 195 -10.447 -9.886 1.499 1.00 0.91 H new ATOM 0 HG2 GLU A 195 -9.468 -7.869 2.364 1.00 1.17 H new ATOM 0 HG3 GLU A 195 -10.438 -7.476 0.958 1.00 1.17 H new ATOM 1163 N ASN A 196 -13.146 -8.586 -0.791 1.00 0.61 N ATOM 1164 CA ASN A 196 -13.232 -8.639 -2.239 1.00 0.66 C ATOM 1165 C ASN A 196 -12.930 -7.277 -2.801 1.00 0.54 C ATOM 1166 O ASN A 196 -13.362 -6.265 -2.255 1.00 0.57 O ATOM 1167 CB ASN A 196 -14.621 -9.069 -2.704 1.00 0.92 C ATOM 1168 CG ASN A 196 -14.799 -10.578 -2.806 1.00 1.42 C ATOM 1169 OD1 ASN A 196 -15.639 -11.060 -3.567 1.00 2.09 O ATOM 1170 ND2 ASN A 196 -14.008 -11.338 -2.062 1.00 2.16 N ATOM 0 H ASN A 196 -13.687 -7.830 -0.372 1.00 0.61 H new ATOM 0 HA ASN A 196 -12.509 -9.374 -2.594 1.00 0.66 H new ATOM 0 HB2 ASN A 196 -15.364 -8.672 -2.012 1.00 0.92 H new ATOM 0 HB3 ASN A 196 -14.821 -8.623 -3.678 1.00 0.92 H new ATOM 0 HD21 ASN A 196 -14.085 -12.354 -2.110 1.00 2.16 H new ATOM 0 HD22 ASN A 196 -13.322 -10.907 -1.442 1.00 2.16 H new ATOM 1177 N PHE A 197 -12.200 -7.245 -3.885 1.00 0.51 N ATOM 1178 CA PHE A 197 -11.719 -6.005 -4.422 1.00 0.42 C ATOM 1179 C PHE A 197 -12.406 -5.659 -5.728 1.00 0.43 C ATOM 1180 O PHE A 197 -12.489 -6.480 -6.643 1.00 0.47 O ATOM 1181 CB PHE A 197 -10.223 -6.109 -4.661 1.00 0.55 C ATOM 1182 CG PHE A 197 -9.382 -6.205 -3.419 1.00 1.16 C ATOM 1183 CD1 PHE A 197 -9.982 -6.419 -2.198 1.00 1.81 C ATOM 1184 CD2 PHE A 197 -8.007 -6.059 -3.466 1.00 2.03 C ATOM 1185 CE1 PHE A 197 -9.231 -6.489 -1.048 1.00 2.73 C ATOM 1186 CE2 PHE A 197 -7.250 -6.122 -2.318 1.00 2.99 C ATOM 1187 CZ PHE A 197 -7.800 -6.429 -1.156 1.00 3.21 C ATOM 0 H PHE A 197 -11.925 -8.072 -4.415 1.00 0.51 H new ATOM 0 HA PHE A 197 -11.939 -5.217 -3.701 1.00 0.42 H new ATOM 0 HB2 PHE A 197 -10.030 -6.985 -5.280 1.00 0.55 H new ATOM 0 HB3 PHE A 197 -9.901 -5.238 -5.232 1.00 0.55 H new ATOM 0 HD1 PHE A 197 -11.055 -6.533 -2.143 1.00 1.81 H new ATOM 0 HD2 PHE A 197 -7.521 -5.893 -4.416 1.00 2.03 H new ATOM 0 HE1 PHE A 197 -9.707 -6.587 -0.084 1.00 2.73 H new ATOM 0 HE2 PHE A 197 -6.191 -5.917 -2.368 1.00 2.99 H new ATOM 0 HZ PHE A 197 -7.179 -6.633 -0.296 1.00 3.21 H new ATOM 1197 N THR A 198 -12.890 -4.439 -5.811 1.00 0.47 N ATOM 1198 CA THR A 198 -13.347 -3.898 -7.068 1.00 0.50 C ATOM 1199 C THR A 198 -12.266 -2.961 -7.579 1.00 0.48 C ATOM 1200 O THR A 198 -11.367 -2.623 -6.823 1.00 0.45 O ATOM 1201 CB THR A 198 -14.704 -3.169 -6.909 1.00 0.54 C ATOM 1202 OG1 THR A 198 -15.249 -2.838 -8.189 1.00 0.61 O ATOM 1203 CG2 THR A 198 -14.558 -1.901 -6.087 1.00 0.49 C ATOM 0 H THR A 198 -12.977 -3.803 -5.019 1.00 0.47 H new ATOM 0 HA THR A 198 -13.518 -4.700 -7.786 1.00 0.50 H new ATOM 0 HB THR A 198 -15.379 -3.849 -6.388 1.00 0.54 H new ATOM 0 HG1 THR A 198 -16.107 -2.380 -8.071 1.00 0.61 H new ATOM 0 HG21 THR A 198 -15.529 -1.414 -5.994 1.00 0.49 H new ATOM 0 HG22 THR A 198 -14.182 -2.152 -5.095 1.00 0.49 H new ATOM 0 HG23 THR A 198 -13.859 -1.226 -6.580 1.00 0.49 H new ATOM 1211 N GLU A 199 -12.306 -2.567 -8.844 1.00 0.51 N ATOM 1212 CA GLU A 199 -11.275 -1.683 -9.384 1.00 0.50 C ATOM 1213 C GLU A 199 -11.250 -0.349 -8.652 1.00 0.44 C ATOM 1214 O GLU A 199 -10.354 0.443 -8.850 1.00 0.43 O ATOM 1215 CB GLU A 199 -11.455 -1.409 -10.868 1.00 0.53 C ATOM 1216 CG GLU A 199 -10.155 -1.014 -11.545 1.00 0.54 C ATOM 1217 CD GLU A 199 -10.360 -0.479 -12.946 1.00 0.58 C ATOM 1218 OE1 GLU A 199 -10.883 0.648 -13.086 1.00 0.62 O ATOM 1219 OE2 GLU A 199 -10.004 -1.182 -13.914 1.00 0.76 O ATOM 0 H GLU A 199 -13.029 -2.839 -9.510 1.00 0.51 H new ATOM 0 HA GLU A 199 -10.333 -2.211 -9.237 1.00 0.50 H new ATOM 0 HB2 GLU A 199 -11.858 -2.298 -11.353 1.00 0.53 H new ATOM 0 HB3 GLU A 199 -12.188 -0.613 -11.002 1.00 0.53 H new ATOM 0 HG2 GLU A 199 -9.653 -0.257 -10.942 1.00 0.54 H new ATOM 0 HG3 GLU A 199 -9.494 -1.880 -11.585 1.00 0.54 H new ATOM 1226 N THR A 200 -12.256 -0.094 -7.843 1.00 0.44 N ATOM 1227 CA THR A 200 -12.259 1.036 -6.948 1.00 0.38 C ATOM 1228 C THR A 200 -11.527 0.670 -5.681 1.00 0.33 C ATOM 1229 O THR A 200 -10.692 1.408 -5.220 1.00 0.28 O ATOM 1230 CB THR A 200 -13.677 1.476 -6.569 1.00 0.42 C ATOM 1231 OG1 THR A 200 -14.428 1.796 -7.746 1.00 0.51 O ATOM 1232 CG2 THR A 200 -13.620 2.669 -5.632 1.00 0.45 C ATOM 0 H THR A 200 -13.097 -0.669 -7.790 1.00 0.44 H new ATOM 0 HA THR A 200 -11.771 1.860 -7.468 1.00 0.38 H new ATOM 0 HB THR A 200 -14.176 0.654 -6.055 1.00 0.42 H new ATOM 0 HG1 THR A 200 -15.333 2.074 -7.491 1.00 0.51 H new ATOM 0 HG21 THR A 200 -14.633 2.974 -5.369 1.00 0.45 H new ATOM 0 HG22 THR A 200 -13.077 2.396 -4.727 1.00 0.45 H new ATOM 0 HG23 THR A 200 -13.109 3.496 -6.126 1.00 0.45 H new ATOM 1240 N ASP A 201 -11.796 -0.520 -5.167 1.00 0.37 N ATOM 1241 CA ASP A 201 -11.175 -0.970 -3.926 1.00 0.34 C ATOM 1242 C ASP A 201 -9.729 -1.220 -4.214 1.00 0.31 C ATOM 1243 O ASP A 201 -8.859 -1.216 -3.349 1.00 0.28 O ATOM 1244 CB ASP A 201 -11.805 -2.251 -3.378 1.00 0.37 C ATOM 1245 CG ASP A 201 -13.186 -2.035 -2.808 1.00 0.41 C ATOM 1246 OD1 ASP A 201 -13.328 -1.232 -1.872 1.00 0.56 O ATOM 1247 OD2 ASP A 201 -14.135 -2.683 -3.291 1.00 0.50 O ATOM 0 H ASP A 201 -12.438 -1.192 -5.587 1.00 0.37 H new ATOM 0 HA ASP A 201 -11.318 -0.200 -3.168 1.00 0.34 H new ATOM 0 HB2 ASP A 201 -11.859 -2.992 -4.176 1.00 0.37 H new ATOM 0 HB3 ASP A 201 -11.159 -2.664 -2.603 1.00 0.37 H new ATOM 1252 N ILE A 202 -9.500 -1.415 -5.475 1.00 0.35 N ATOM 1253 CA ILE A 202 -8.211 -1.685 -5.980 1.00 0.36 C ATOM 1254 C ILE A 202 -7.567 -0.440 -6.424 1.00 0.33 C ATOM 1255 O ILE A 202 -6.360 -0.282 -6.295 1.00 0.34 O ATOM 1256 CB ILE A 202 -8.324 -2.638 -7.150 1.00 0.44 C ATOM 1257 CG1 ILE A 202 -7.301 -3.723 -7.037 1.00 0.50 C ATOM 1258 CG2 ILE A 202 -8.118 -1.926 -8.477 1.00 0.48 C ATOM 1259 CD1 ILE A 202 -6.806 -3.886 -5.644 1.00 0.59 C ATOM 0 H ILE A 202 -10.228 -1.388 -6.189 1.00 0.35 H new ATOM 0 HA ILE A 202 -7.606 -2.134 -5.192 1.00 0.36 H new ATOM 0 HB ILE A 202 -9.330 -3.057 -7.123 1.00 0.44 H new ATOM 0 HG12 ILE A 202 -7.732 -4.664 -7.380 1.00 0.50 H new ATOM 0 HG13 ILE A 202 -6.462 -3.498 -7.695 1.00 0.50 H new ATOM 0 HG21 ILE A 202 -8.207 -2.644 -9.293 1.00 0.48 H new ATOM 0 HG22 ILE A 202 -8.873 -1.149 -8.594 1.00 0.48 H new ATOM 0 HG23 ILE A 202 -7.126 -1.474 -8.497 1.00 0.48 H new ATOM 0 HD11 ILE A 202 -6.065 -4.685 -5.612 1.00 0.59 H new ATOM 0 HD12 ILE A 202 -6.350 -2.955 -5.309 1.00 0.59 H new ATOM 0 HD13 ILE A 202 -7.640 -4.138 -4.989 1.00 0.59 H new ATOM 1271 N LYS A 203 -8.379 0.473 -6.920 1.00 0.33 N ATOM 1272 CA LYS A 203 -7.840 1.712 -7.331 1.00 0.33 C ATOM 1273 C LYS A 203 -7.318 2.378 -6.098 1.00 0.28 C ATOM 1274 O LYS A 203 -6.513 3.292 -6.126 1.00 0.32 O ATOM 1275 CB LYS A 203 -8.851 2.589 -8.029 1.00 0.33 C ATOM 1276 CG LYS A 203 -9.808 3.291 -7.097 1.00 0.29 C ATOM 1277 CD LYS A 203 -10.875 4.055 -7.857 1.00 0.34 C ATOM 1278 CE LYS A 203 -10.319 5.304 -8.515 1.00 1.13 C ATOM 1279 NZ LYS A 203 -11.378 6.059 -9.226 1.00 1.93 N ATOM 0 H LYS A 203 -9.387 0.367 -7.038 1.00 0.33 H new ATOM 0 HA LYS A 203 -7.051 1.545 -8.064 1.00 0.33 H new ATOM 0 HB2 LYS A 203 -8.321 3.337 -8.619 1.00 0.33 H new ATOM 0 HB3 LYS A 203 -9.423 1.979 -8.728 1.00 0.33 H new ATOM 0 HG2 LYS A 203 -10.281 2.559 -6.443 1.00 0.29 H new ATOM 0 HG3 LYS A 203 -9.254 3.979 -6.458 1.00 0.29 H new ATOM 0 HD2 LYS A 203 -11.312 3.408 -8.618 1.00 0.34 H new ATOM 0 HD3 LYS A 203 -11.678 4.332 -7.174 1.00 0.34 H new ATOM 0 HE2 LYS A 203 -9.861 5.942 -7.759 1.00 1.13 H new ATOM 0 HE3 LYS A 203 -9.533 5.027 -9.218 1.00 1.13 H new ATOM 0 HZ1 LYS A 203 -10.965 6.907 -9.665 1.00 1.93 H new ATOM 0 HZ2 LYS A 203 -11.798 5.457 -9.963 1.00 1.93 H new ATOM 0 HZ3 LYS A 203 -12.115 6.343 -8.550 1.00 1.93 H new ATOM 1293 N ILE A 204 -7.814 1.821 -5.016 1.00 0.24 N ATOM 1294 CA ILE A 204 -7.442 2.142 -3.700 1.00 0.22 C ATOM 1295 C ILE A 204 -6.069 1.608 -3.464 1.00 0.22 C ATOM 1296 O ILE A 204 -5.140 2.361 -3.382 1.00 0.25 O ATOM 1297 CB ILE A 204 -8.407 1.492 -2.715 1.00 0.24 C ATOM 1298 CG1 ILE A 204 -9.769 2.149 -2.798 1.00 0.27 C ATOM 1299 CG2 ILE A 204 -7.852 1.519 -1.327 1.00 0.32 C ATOM 1300 CD1 ILE A 204 -10.727 1.699 -1.744 1.00 0.30 C ATOM 0 H ILE A 204 -8.527 1.093 -5.058 1.00 0.24 H new ATOM 0 HA ILE A 204 -7.466 3.223 -3.559 1.00 0.22 H new ATOM 0 HB ILE A 204 -8.532 0.444 -2.986 1.00 0.24 H new ATOM 0 HG12 ILE A 204 -9.645 3.229 -2.724 1.00 0.27 H new ATOM 0 HG13 ILE A 204 -10.200 1.944 -3.778 1.00 0.27 H new ATOM 0 HG21 ILE A 204 -8.559 1.049 -0.643 1.00 0.32 H new ATOM 0 HG22 ILE A 204 -6.908 0.975 -1.302 1.00 0.32 H new ATOM 0 HG23 ILE A 204 -7.684 2.552 -1.022 1.00 0.32 H new ATOM 0 HD11 ILE A 204 -11.678 2.216 -1.872 1.00 0.30 H new ATOM 0 HD12 ILE A 204 -10.884 0.624 -1.830 1.00 0.30 H new ATOM 0 HD13 ILE A 204 -10.319 1.929 -0.760 1.00 0.30 H new ATOM 1312 N MET A 205 -5.905 0.301 -3.459 1.00 0.21 N ATOM 1313 CA MET A 205 -4.617 -0.235 -3.127 1.00 0.21 C ATOM 1314 C MET A 205 -3.576 0.178 -4.117 1.00 0.22 C ATOM 1315 O MET A 205 -2.400 0.071 -3.873 1.00 0.26 O ATOM 1316 CB MET A 205 -4.631 -1.744 -2.953 1.00 0.22 C ATOM 1317 CG MET A 205 -4.523 -2.139 -1.492 1.00 0.27 C ATOM 1318 SD MET A 205 -5.550 -3.552 -1.086 1.00 0.32 S ATOM 1319 CE MET A 205 -7.076 -3.039 -1.864 1.00 0.42 C ATOM 0 H MET A 205 -6.628 -0.386 -3.675 1.00 0.21 H new ATOM 0 HA MET A 205 -4.355 0.192 -2.159 1.00 0.21 H new ATOM 0 HB2 MET A 205 -5.551 -2.151 -3.373 1.00 0.22 H new ATOM 0 HB3 MET A 205 -3.804 -2.183 -3.511 1.00 0.22 H new ATOM 0 HG2 MET A 205 -3.484 -2.369 -1.257 1.00 0.27 H new ATOM 0 HG3 MET A 205 -4.811 -1.293 -0.868 1.00 0.27 H new ATOM 0 HE1 MET A 205 -7.911 -3.581 -1.420 1.00 0.42 H new ATOM 0 HE2 MET A 205 -7.218 -1.969 -1.715 1.00 0.42 H new ATOM 0 HE3 MET A 205 -7.030 -3.254 -2.932 1.00 0.42 H new ATOM 1329 N GLU A 206 -4.001 0.734 -5.201 1.00 0.23 N ATOM 1330 CA GLU A 206 -3.064 1.166 -6.169 1.00 0.28 C ATOM 1331 C GLU A 206 -2.775 2.625 -5.943 1.00 0.30 C ATOM 1332 O GLU A 206 -1.704 3.121 -6.235 1.00 0.38 O ATOM 1333 CB GLU A 206 -3.558 0.835 -7.551 1.00 0.32 C ATOM 1334 CG GLU A 206 -3.776 -0.655 -7.633 1.00 0.34 C ATOM 1335 CD GLU A 206 -3.783 -1.193 -9.049 1.00 0.49 C ATOM 1336 OE1 GLU A 206 -4.833 -1.122 -9.718 1.00 0.54 O ATOM 1337 OE2 GLU A 206 -2.731 -1.695 -9.499 1.00 0.90 O ATOM 0 H GLU A 206 -4.981 0.897 -5.433 1.00 0.23 H new ATOM 0 HA GLU A 206 -2.116 0.638 -6.069 1.00 0.28 H new ATOM 0 HB2 GLU A 206 -4.487 1.366 -7.759 1.00 0.32 H new ATOM 0 HB3 GLU A 206 -2.833 1.154 -8.300 1.00 0.32 H new ATOM 0 HG2 GLU A 206 -2.993 -1.159 -7.066 1.00 0.34 H new ATOM 0 HG3 GLU A 206 -4.724 -0.901 -7.156 1.00 0.34 H new ATOM 1344 N ARG A 207 -3.698 3.287 -5.298 1.00 0.26 N ATOM 1345 CA ARG A 207 -3.513 4.675 -4.990 1.00 0.30 C ATOM 1346 C ARG A 207 -2.926 4.834 -3.615 1.00 0.31 C ATOM 1347 O ARG A 207 -2.258 5.811 -3.330 1.00 0.40 O ATOM 1348 CB ARG A 207 -4.833 5.421 -5.073 1.00 0.33 C ATOM 1349 CG ARG A 207 -5.786 5.104 -3.935 1.00 0.38 C ATOM 1350 CD ARG A 207 -7.167 5.638 -4.204 1.00 0.84 C ATOM 1351 NE ARG A 207 -7.138 6.919 -4.920 1.00 1.28 N ATOM 1352 CZ ARG A 207 -7.188 7.040 -6.251 1.00 1.93 C ATOM 1353 NH1 ARG A 207 -7.304 5.958 -7.015 1.00 2.42 N ATOM 1354 NH2 ARG A 207 -7.097 8.236 -6.813 1.00 2.55 N ATOM 0 H ARG A 207 -4.581 2.888 -4.978 1.00 0.26 H new ATOM 0 HA ARG A 207 -2.823 5.096 -5.722 1.00 0.30 H new ATOM 0 HB2 ARG A 207 -4.635 6.493 -5.081 1.00 0.33 H new ATOM 0 HB3 ARG A 207 -5.318 5.180 -6.019 1.00 0.33 H new ATOM 0 HG2 ARG A 207 -5.834 4.025 -3.790 1.00 0.38 H new ATOM 0 HG3 ARG A 207 -5.403 5.533 -3.009 1.00 0.38 H new ATOM 0 HD2 ARG A 207 -7.728 4.910 -4.789 1.00 0.84 H new ATOM 0 HD3 ARG A 207 -7.696 5.764 -3.259 1.00 0.84 H new ATOM 0 HE ARG A 207 -7.076 7.773 -4.366 1.00 1.28 H new ATOM 0 HH11 ARG A 207 -7.355 5.034 -6.586 1.00 2.42 H new ATOM 0 HH12 ARG A 207 -7.342 6.052 -8.030 1.00 2.42 H new ATOM 0 HH21 ARG A 207 -6.989 9.066 -6.231 1.00 2.55 H new ATOM 0 HH22 ARG A 207 -7.135 8.327 -7.828 1.00 2.55 H new ATOM 1368 N VAL A 208 -3.187 3.877 -2.755 1.00 0.29 N ATOM 1369 CA VAL A 208 -2.729 3.970 -1.399 1.00 0.31 C ATOM 1370 C VAL A 208 -1.436 3.244 -1.242 1.00 0.34 C ATOM 1371 O VAL A 208 -0.537 3.700 -0.572 1.00 0.50 O ATOM 1372 CB VAL A 208 -3.749 3.416 -0.389 1.00 0.44 C ATOM 1373 CG1 VAL A 208 -3.644 4.151 0.928 1.00 0.30 C ATOM 1374 CG2 VAL A 208 -5.142 3.514 -0.948 1.00 0.80 C ATOM 0 H VAL A 208 -3.712 3.031 -2.974 1.00 0.29 H new ATOM 0 HA VAL A 208 -2.595 5.030 -1.185 1.00 0.31 H new ATOM 0 HB VAL A 208 -3.526 2.365 -0.208 1.00 0.44 H new ATOM 0 HG11 VAL A 208 -4.373 3.746 1.630 1.00 0.30 H new ATOM 0 HG12 VAL A 208 -2.640 4.027 1.335 1.00 0.30 H new ATOM 0 HG13 VAL A 208 -3.843 5.211 0.770 1.00 0.30 H new ATOM 0 HG21 VAL A 208 -5.854 3.119 -0.223 1.00 0.80 H new ATOM 0 HG22 VAL A 208 -5.378 4.558 -1.156 1.00 0.80 H new ATOM 0 HG23 VAL A 208 -5.205 2.937 -1.871 1.00 0.80 H new ATOM 1384 N VAL A 209 -1.358 2.135 -1.910 1.00 0.28 N ATOM 1385 CA VAL A 209 -0.267 1.222 -1.766 1.00 0.31 C ATOM 1386 C VAL A 209 0.748 1.417 -2.875 1.00 0.29 C ATOM 1387 O VAL A 209 1.948 1.436 -2.611 1.00 0.30 O ATOM 1388 CB VAL A 209 -0.778 -0.217 -1.760 1.00 0.38 C ATOM 1389 CG1 VAL A 209 0.358 -1.187 -1.883 1.00 0.89 C ATOM 1390 CG2 VAL A 209 -1.613 -0.492 -0.524 1.00 0.88 C ATOM 0 H VAL A 209 -2.063 1.834 -2.582 1.00 0.28 H new ATOM 0 HA VAL A 209 0.225 1.423 -0.814 1.00 0.31 H new ATOM 0 HB VAL A 209 -1.423 -0.353 -2.628 1.00 0.38 H new ATOM 0 HG11 VAL A 209 -0.031 -2.205 -1.876 1.00 0.89 H new ATOM 0 HG12 VAL A 209 0.890 -1.008 -2.817 1.00 0.89 H new ATOM 0 HG13 VAL A 209 1.042 -1.054 -1.045 1.00 0.89 H new ATOM 0 HG21 VAL A 209 -1.965 -1.524 -0.545 1.00 0.88 H new ATOM 0 HG22 VAL A 209 -1.006 -0.333 0.368 1.00 0.88 H new ATOM 0 HG23 VAL A 209 -2.469 0.183 -0.506 1.00 0.88 H new ATOM 1400 N GLU A 210 0.288 1.596 -4.117 1.00 0.28 N ATOM 1401 CA GLU A 210 1.224 1.793 -5.201 1.00 0.29 C ATOM 1402 C GLU A 210 1.853 3.149 -5.040 1.00 0.24 C ATOM 1403 O GLU A 210 3.027 3.359 -5.332 1.00 0.25 O ATOM 1404 CB GLU A 210 0.562 1.678 -6.561 1.00 0.34 C ATOM 1405 CG GLU A 210 1.546 1.779 -7.716 1.00 0.63 C ATOM 1406 CD GLU A 210 0.885 1.715 -9.073 1.00 0.87 C ATOM 1407 OE1 GLU A 210 0.417 0.622 -9.455 1.00 1.16 O ATOM 1408 OE2 GLU A 210 0.804 2.761 -9.747 1.00 1.62 O ATOM 0 H GLU A 210 -0.697 1.607 -4.381 1.00 0.28 H new ATOM 0 HA GLU A 210 1.980 1.009 -5.156 1.00 0.29 H new ATOM 0 HB2 GLU A 210 0.036 0.725 -6.623 1.00 0.34 H new ATOM 0 HB3 GLU A 210 -0.187 2.463 -6.661 1.00 0.34 H new ATOM 0 HG2 GLU A 210 2.098 2.715 -7.633 1.00 0.63 H new ATOM 0 HG3 GLU A 210 2.274 0.971 -7.636 1.00 0.63 H new ATOM 1415 N GLN A 211 1.061 4.067 -4.534 1.00 0.23 N ATOM 1416 CA GLN A 211 1.558 5.373 -4.227 1.00 0.23 C ATOM 1417 C GLN A 211 2.388 5.334 -2.968 1.00 0.22 C ATOM 1418 O GLN A 211 3.352 6.073 -2.842 1.00 0.25 O ATOM 1419 CB GLN A 211 0.428 6.349 -4.011 1.00 0.29 C ATOM 1420 CG GLN A 211 0.878 7.771 -3.719 1.00 0.34 C ATOM 1421 CD GLN A 211 1.669 8.392 -4.856 1.00 0.79 C ATOM 1422 OE1 GLN A 211 1.453 8.085 -6.030 1.00 1.49 O ATOM 1423 NE2 GLN A 211 2.595 9.269 -4.513 1.00 1.68 N ATOM 0 H GLN A 211 0.072 3.926 -4.329 1.00 0.23 H new ATOM 0 HA GLN A 211 2.164 5.697 -5.073 1.00 0.23 H new ATOM 0 HB2 GLN A 211 -0.206 6.356 -4.898 1.00 0.29 H new ATOM 0 HB3 GLN A 211 -0.187 5.997 -3.183 1.00 0.29 H new ATOM 0 HG2 GLN A 211 0.003 8.388 -3.514 1.00 0.34 H new ATOM 0 HG3 GLN A 211 1.488 7.774 -2.816 1.00 0.34 H new ATOM 0 HE21 GLN A 211 2.743 9.496 -3.530 1.00 1.68 H new ATOM 0 HE22 GLN A 211 3.162 9.719 -5.231 1.00 1.68 H new ATOM 1432 N MET A 212 2.008 4.501 -2.009 1.00 0.27 N ATOM 1433 CA MET A 212 2.747 4.476 -0.774 1.00 0.32 C ATOM 1434 C MET A 212 4.083 3.813 -0.961 1.00 0.25 C ATOM 1435 O MET A 212 5.100 4.325 -0.530 1.00 0.22 O ATOM 1436 CB MET A 212 2.008 3.827 0.362 1.00 0.48 C ATOM 1437 CG MET A 212 1.919 4.726 1.589 1.00 1.72 C ATOM 1438 SD MET A 212 3.457 4.861 2.505 1.00 1.89 S ATOM 1439 CE MET A 212 4.197 3.290 2.105 1.00 0.30 C ATOM 0 H MET A 212 1.219 3.857 -2.065 1.00 0.27 H new ATOM 0 HA MET A 212 2.889 5.521 -0.498 1.00 0.32 H new ATOM 0 HB2 MET A 212 1.002 3.564 0.034 1.00 0.48 H new ATOM 0 HB3 MET A 212 2.508 2.897 0.632 1.00 0.48 H new ATOM 0 HG2 MET A 212 1.606 5.722 1.276 1.00 1.72 H new ATOM 0 HG3 MET A 212 1.144 4.342 2.253 1.00 1.72 H new ATOM 0 HE1 MET A 212 4.463 2.769 3.024 1.00 0.30 H new ATOM 0 HE2 MET A 212 3.487 2.687 1.539 1.00 0.30 H new ATOM 0 HE3 MET A 212 5.094 3.452 1.507 1.00 0.30 H new ATOM 1449 N CYS A 213 4.102 2.678 -1.597 1.00 0.27 N ATOM 1450 CA CYS A 213 5.361 2.060 -1.888 1.00 0.24 C ATOM 1451 C CYS A 213 6.182 2.985 -2.803 1.00 0.23 C ATOM 1452 O CYS A 213 7.405 2.920 -2.822 1.00 0.25 O ATOM 1453 CB CYS A 213 5.159 0.682 -2.490 1.00 0.27 C ATOM 1454 SG CYS A 213 4.750 -0.620 -1.293 1.00 0.68 S ATOM 0 H CYS A 213 3.278 2.170 -1.918 1.00 0.27 H new ATOM 0 HA CYS A 213 5.921 1.914 -0.965 1.00 0.24 H new ATOM 0 HB2 CYS A 213 4.362 0.738 -3.231 1.00 0.27 H new ATOM 0 HB3 CYS A 213 6.067 0.396 -3.020 1.00 0.27 H new ATOM 1459 N ILE A 214 5.494 3.855 -3.558 1.00 0.23 N ATOM 1460 CA ILE A 214 6.159 4.926 -4.305 1.00 0.24 C ATOM 1461 C ILE A 214 6.648 5.993 -3.348 1.00 0.25 C ATOM 1462 O ILE A 214 7.690 6.584 -3.551 1.00 0.30 O ATOM 1463 CB ILE A 214 5.230 5.586 -5.350 1.00 0.24 C ATOM 1464 CG1 ILE A 214 5.676 5.244 -6.763 1.00 0.30 C ATOM 1465 CG2 ILE A 214 5.209 7.099 -5.177 1.00 0.26 C ATOM 1466 CD1 ILE A 214 5.885 3.776 -6.965 1.00 0.34 C ATOM 0 H ILE A 214 4.480 3.836 -3.665 1.00 0.23 H new ATOM 0 HA ILE A 214 6.994 4.469 -4.836 1.00 0.24 H new ATOM 0 HB ILE A 214 4.225 5.196 -5.190 1.00 0.24 H new ATOM 0 HG12 ILE A 214 4.929 5.601 -7.472 1.00 0.30 H new ATOM 0 HG13 ILE A 214 6.603 5.772 -6.985 1.00 0.30 H new ATOM 0 HG21 ILE A 214 4.549 7.541 -5.923 1.00 0.26 H new ATOM 0 HG22 ILE A 214 4.846 7.346 -4.179 1.00 0.26 H new ATOM 0 HG23 ILE A 214 6.217 7.494 -5.305 1.00 0.26 H new ATOM 0 HD11 ILE A 214 6.202 3.592 -7.991 1.00 0.34 H new ATOM 0 HD12 ILE A 214 6.653 3.420 -6.278 1.00 0.34 H new ATOM 0 HD13 ILE A 214 4.952 3.246 -6.773 1.00 0.34 H new ATOM 1478 N THR A 215 5.867 6.266 -2.323 1.00 0.25 N ATOM 1479 CA THR A 215 6.287 7.179 -1.297 1.00 0.27 C ATOM 1480 C THR A 215 7.600 6.669 -0.731 1.00 0.26 C ATOM 1481 O THR A 215 8.481 7.442 -0.414 1.00 0.33 O ATOM 1482 CB THR A 215 5.231 7.307 -0.179 1.00 0.29 C ATOM 1483 OG1 THR A 215 5.003 8.686 0.135 1.00 0.37 O ATOM 1484 CG2 THR A 215 5.689 6.572 1.061 1.00 0.31 C ATOM 0 H THR A 215 4.939 5.865 -2.184 1.00 0.25 H new ATOM 0 HA THR A 215 6.412 8.173 -1.725 1.00 0.27 H new ATOM 0 HB THR A 215 4.300 6.864 -0.533 1.00 0.29 H new ATOM 0 HG1 THR A 215 4.330 8.753 0.844 1.00 0.37 H new ATOM 0 HG21 THR A 215 4.935 6.670 1.842 1.00 0.31 H new ATOM 0 HG22 THR A 215 5.833 5.517 0.826 1.00 0.31 H new ATOM 0 HG23 THR A 215 6.630 6.998 1.410 1.00 0.31 H new ATOM 1492 N GLN A 216 7.703 5.349 -0.595 1.00 0.23 N ATOM 1493 CA GLN A 216 8.965 4.715 -0.263 1.00 0.25 C ATOM 1494 C GLN A 216 10.106 5.188 -1.170 1.00 0.31 C ATOM 1495 O GLN A 216 11.188 5.385 -0.667 1.00 0.39 O ATOM 1496 CB GLN A 216 8.871 3.194 -0.296 1.00 0.25 C ATOM 1497 CG GLN A 216 7.707 2.620 0.501 1.00 0.28 C ATOM 1498 CD GLN A 216 8.075 2.226 1.919 1.00 0.88 C ATOM 1499 OE1 GLN A 216 7.454 1.343 2.507 1.00 1.69 O ATOM 1500 NE2 GLN A 216 9.100 2.854 2.473 1.00 1.58 N ATOM 0 H GLN A 216 6.923 4.702 -0.711 1.00 0.23 H new ATOM 0 HA GLN A 216 9.192 5.021 0.758 1.00 0.25 H new ATOM 0 HB2 GLN A 216 8.781 2.870 -1.333 1.00 0.25 H new ATOM 0 HB3 GLN A 216 9.801 2.776 0.089 1.00 0.25 H new ATOM 0 HG2 GLN A 216 6.903 3.356 0.535 1.00 0.28 H new ATOM 0 HG3 GLN A 216 7.317 1.746 -0.020 1.00 0.28 H new ATOM 0 HE21 GLN A 216 9.592 3.582 1.955 1.00 1.58 H new ATOM 0 HE22 GLN A 216 9.398 2.610 3.418 1.00 1.58 H new ATOM 1509 N TYR A 217 9.859 5.409 -2.478 1.00 0.38 N ATOM 1510 CA TYR A 217 10.895 5.983 -3.388 1.00 0.49 C ATOM 1511 C TYR A 217 11.714 6.999 -2.603 1.00 0.49 C ATOM 1512 O TYR A 217 12.941 7.038 -2.602 1.00 0.57 O ATOM 1513 CB TYR A 217 10.246 6.804 -4.516 1.00 0.73 C ATOM 1514 CG TYR A 217 11.196 7.741 -5.249 1.00 0.85 C ATOM 1515 CD1 TYR A 217 12.323 7.241 -5.891 1.00 0.97 C ATOM 1516 CD2 TYR A 217 10.967 9.110 -5.303 1.00 1.07 C ATOM 1517 CE1 TYR A 217 13.190 8.079 -6.562 1.00 1.18 C ATOM 1518 CE2 TYR A 217 11.831 9.953 -5.970 1.00 1.29 C ATOM 1519 CZ TYR A 217 12.924 9.467 -6.579 1.00 1.31 C ATOM 1520 OH TYR A 217 13.808 10.270 -7.263 1.00 1.56 O ATOM 0 H TYR A 217 8.968 5.205 -2.931 1.00 0.38 H new ATOM 0 HA TYR A 217 11.481 5.154 -3.785 1.00 0.49 H new ATOM 0 HB2 TYR A 217 9.805 6.118 -5.239 1.00 0.73 H new ATOM 0 HB3 TYR A 217 9.430 7.392 -4.096 1.00 0.73 H new ATOM 0 HD1 TYR A 217 12.523 6.180 -5.864 1.00 0.97 H new ATOM 0 HD2 TYR A 217 10.097 9.522 -4.814 1.00 1.07 H new ATOM 0 HE1 TYR A 217 14.058 7.681 -7.066 1.00 1.18 H new ATOM 0 HE2 TYR A 217 11.626 11.013 -6.003 1.00 1.29 H new ATOM 0 HH TYR A 217 13.516 11.204 -7.202 1.00 1.56 H new ATOM 1530 N GLN A 218 10.920 7.847 -1.956 1.00 0.46 N ATOM 1531 CA GLN A 218 11.388 8.972 -1.167 1.00 0.51 C ATOM 1532 C GLN A 218 11.472 8.671 0.344 1.00 0.50 C ATOM 1533 O GLN A 218 12.267 9.284 1.041 1.00 0.61 O ATOM 1534 CB GLN A 218 10.457 10.168 -1.412 1.00 0.53 C ATOM 1535 CG GLN A 218 9.080 9.791 -1.930 1.00 0.48 C ATOM 1536 CD GLN A 218 8.159 10.987 -2.086 1.00 0.72 C ATOM 1537 OE1 GLN A 218 7.268 10.994 -2.935 1.00 1.31 O ATOM 1538 NE2 GLN A 218 8.362 12.007 -1.264 1.00 1.52 N ATOM 0 H GLN A 218 9.903 7.764 -1.969 1.00 0.46 H new ATOM 0 HA GLN A 218 12.406 9.194 -1.488 1.00 0.51 H new ATOM 0 HB2 GLN A 218 10.343 10.722 -0.480 1.00 0.53 H new ATOM 0 HB3 GLN A 218 10.930 10.841 -2.127 1.00 0.53 H new ATOM 0 HG2 GLN A 218 9.184 9.291 -2.893 1.00 0.48 H new ATOM 0 HG3 GLN A 218 8.624 9.075 -1.247 1.00 0.48 H new ATOM 0 HE21 GLN A 218 9.111 11.964 -0.573 1.00 1.52 H new ATOM 0 HE22 GLN A 218 7.769 12.835 -1.322 1.00 1.52 H new ATOM 1547 N GLN A 219 10.656 7.741 0.851 1.00 0.40 N ATOM 1548 CA GLN A 219 10.561 7.520 2.299 1.00 0.41 C ATOM 1549 C GLN A 219 11.435 6.370 2.738 1.00 0.39 C ATOM 1550 O GLN A 219 11.896 6.295 3.876 1.00 0.46 O ATOM 1551 CB GLN A 219 9.122 7.306 2.780 1.00 0.45 C ATOM 1552 CG GLN A 219 8.630 5.878 2.665 1.00 0.44 C ATOM 1553 CD GLN A 219 7.543 5.555 3.673 1.00 0.81 C ATOM 1554 OE1 GLN A 219 6.667 4.733 3.420 1.00 1.64 O ATOM 1555 NE2 GLN A 219 7.604 6.180 4.835 1.00 1.26 N ATOM 0 H GLN A 219 10.058 7.135 0.289 1.00 0.40 H new ATOM 0 HA GLN A 219 10.922 8.437 2.765 1.00 0.41 H new ATOM 0 HB2 GLN A 219 9.049 7.620 3.821 1.00 0.45 H new ATOM 0 HB3 GLN A 219 8.460 7.953 2.205 1.00 0.45 H new ATOM 0 HG2 GLN A 219 8.249 5.708 1.658 1.00 0.44 H new ATOM 0 HG3 GLN A 219 9.468 5.196 2.808 1.00 0.44 H new ATOM 0 HE21 GLN A 219 8.346 6.857 5.011 1.00 1.26 H new ATOM 0 HE22 GLN A 219 6.909 5.985 5.556 1.00 1.26 H new ATOM 1564 N GLU A 220 11.640 5.472 1.824 1.00 0.35 N ATOM 1565 CA GLU A 220 12.529 4.370 1.995 1.00 0.39 C ATOM 1566 C GLU A 220 13.935 4.850 1.880 1.00 0.48 C ATOM 1567 O GLU A 220 14.821 4.413 2.595 1.00 0.55 O ATOM 1568 CB GLU A 220 12.242 3.390 0.913 1.00 0.50 C ATOM 1569 CG GLU A 220 13.455 3.026 0.102 1.00 1.11 C ATOM 1570 CD GLU A 220 13.477 3.655 -1.284 1.00 2.32 C ATOM 1571 OE1 GLU A 220 12.581 3.352 -2.088 1.00 2.80 O ATOM 1572 OE2 GLU A 220 14.388 4.461 -1.558 1.00 3.07 O ATOM 0 H GLU A 220 11.179 5.488 0.914 1.00 0.35 H new ATOM 0 HA GLU A 220 12.394 3.908 2.973 1.00 0.39 H new ATOM 0 HB2 GLU A 220 11.823 2.485 1.354 1.00 0.50 H new ATOM 0 HB3 GLU A 220 11.481 3.803 0.251 1.00 0.50 H new ATOM 0 HG2 GLU A 220 14.349 3.333 0.645 1.00 1.11 H new ATOM 0 HG3 GLU A 220 13.501 1.942 -0.000 1.00 1.11 H new ATOM 1579 N SER A 221 14.130 5.771 0.974 1.00 0.52 N ATOM 1580 CA SER A 221 15.430 6.318 0.767 1.00 0.63 C ATOM 1581 C SER A 221 15.850 7.076 2.024 1.00 0.68 C ATOM 1582 O SER A 221 16.982 7.540 2.171 1.00 0.81 O ATOM 1583 CB SER A 221 15.422 7.196 -0.466 1.00 0.70 C ATOM 1584 OG SER A 221 14.722 8.407 -0.250 1.00 0.86 O ATOM 0 H SER A 221 13.401 6.153 0.372 1.00 0.52 H new ATOM 0 HA SER A 221 16.161 5.529 0.592 1.00 0.63 H new ATOM 0 HB2 SER A 221 16.448 7.418 -0.760 1.00 0.70 H new ATOM 0 HB3 SER A 221 14.963 6.655 -1.294 1.00 0.70 H new ATOM 0 HG SER A 221 14.741 8.946 -1.068 1.00 0.86 H new ATOM 1590 N GLN A 222 14.883 7.197 2.919 1.00 0.62 N ATOM 1591 CA GLN A 222 15.094 7.675 4.258 1.00 0.66 C ATOM 1592 C GLN A 222 15.260 6.495 5.220 1.00 0.60 C ATOM 1593 O GLN A 222 16.349 6.255 5.752 1.00 0.63 O ATOM 1594 CB GLN A 222 13.887 8.510 4.668 1.00 0.71 C ATOM 1595 CG GLN A 222 13.556 9.619 3.688 1.00 0.88 C ATOM 1596 CD GLN A 222 12.448 10.527 4.179 1.00 0.95 C ATOM 1597 OE1 GLN A 222 11.558 10.106 4.920 1.00 1.36 O ATOM 1598 NE2 GLN A 222 12.488 11.780 3.758 1.00 1.60 N ATOM 0 H GLN A 222 13.911 6.958 2.721 1.00 0.62 H new ATOM 0 HA GLN A 222 16.000 8.280 4.295 1.00 0.66 H new ATOM 0 HB2 GLN A 222 13.021 7.856 4.770 1.00 0.71 H new ATOM 0 HB3 GLN A 222 14.074 8.947 5.649 1.00 0.71 H new ATOM 0 HG2 GLN A 222 14.451 10.213 3.503 1.00 0.88 H new ATOM 0 HG3 GLN A 222 13.263 9.179 2.735 1.00 0.88 H new ATOM 0 HE21 GLN A 222 13.243 12.088 3.145 1.00 1.60 H new ATOM 0 HE22 GLN A 222 11.764 12.438 4.046 1.00 1.60 H new ATOM 1607 N ALA A 223 14.183 5.732 5.403 1.00 0.56 N ATOM 1608 CA ALA A 223 14.179 4.639 6.370 1.00 0.54 C ATOM 1609 C ALA A 223 14.924 3.431 5.863 1.00 0.53 C ATOM 1610 O ALA A 223 15.802 2.930 6.539 1.00 0.60 O ATOM 1611 CB ALA A 223 12.776 4.215 6.732 1.00 0.59 C ATOM 0 H ALA A 223 13.306 5.851 4.896 1.00 0.56 H new ATOM 0 HA ALA A 223 14.683 5.028 7.255 1.00 0.54 H new ATOM 0 HB1 ALA A 223 12.817 3.399 7.454 1.00 0.59 H new ATOM 0 HB2 ALA A 223 12.242 5.059 7.168 1.00 0.59 H new ATOM 0 HB3 ALA A 223 12.254 3.880 5.835 1.00 0.59 H new ATOM 1617 N ALA A 224 14.588 2.962 4.667 1.00 0.54 N ATOM 1618 CA ALA A 224 15.185 1.745 4.142 1.00 0.64 C ATOM 1619 C ALA A 224 16.604 2.025 3.706 1.00 0.74 C ATOM 1620 O ALA A 224 17.310 1.147 3.239 1.00 0.89 O ATOM 1621 CB ALA A 224 14.389 1.173 2.991 1.00 0.77 C ATOM 0 H ALA A 224 13.909 3.405 4.047 1.00 0.54 H new ATOM 0 HA ALA A 224 15.183 1.000 4.938 1.00 0.64 H new ATOM 0 HB1 ALA A 224 14.872 0.265 2.631 1.00 0.77 H new ATOM 0 HB2 ALA A 224 13.379 0.938 3.328 1.00 0.77 H new ATOM 0 HB3 ALA A 224 14.341 1.903 2.183 1.00 0.77 H new ATOM 1627 N TYR A 225 16.985 3.273 3.822 1.00 0.72 N ATOM 1628 CA TYR A 225 18.357 3.656 3.647 1.00 0.85 C ATOM 1629 C TYR A 225 19.107 3.341 4.914 1.00 0.89 C ATOM 1630 O TYR A 225 20.186 2.747 4.900 1.00 1.06 O ATOM 1631 CB TYR A 225 18.462 5.136 3.312 1.00 0.85 C ATOM 1632 CG TYR A 225 19.881 5.627 3.262 1.00 0.97 C ATOM 1633 CD1 TYR A 225 20.648 5.435 2.125 1.00 1.21 C ATOM 1634 CD2 TYR A 225 20.451 6.276 4.348 1.00 0.95 C ATOM 1635 CE1 TYR A 225 21.955 5.879 2.066 1.00 1.36 C ATOM 1636 CE2 TYR A 225 21.757 6.725 4.297 1.00 1.11 C ATOM 1637 CZ TYR A 225 22.504 6.525 3.154 1.00 1.29 C ATOM 1638 OH TYR A 225 23.806 6.971 3.100 1.00 1.47 O ATOM 0 H TYR A 225 16.355 4.045 4.039 1.00 0.72 H new ATOM 0 HA TYR A 225 18.792 3.100 2.816 1.00 0.85 H new ATOM 0 HB2 TYR A 225 17.986 5.320 2.349 1.00 0.85 H new ATOM 0 HB3 TYR A 225 17.910 5.711 4.055 1.00 0.85 H new ATOM 0 HD1 TYR A 225 20.218 4.931 1.272 1.00 1.21 H new ATOM 0 HD2 TYR A 225 19.867 6.432 5.243 1.00 0.95 H new ATOM 0 HE1 TYR A 225 22.543 5.721 1.174 1.00 1.36 H new ATOM 0 HE2 TYR A 225 22.191 7.230 5.147 1.00 1.11 H new ATOM 0 HH TYR A 225 24.038 7.405 3.947 1.00 1.47 H new ATOM 1648 N GLN A 226 18.509 3.752 6.003 1.00 0.77 N ATOM 1649 CA GLN A 226 18.948 3.358 7.313 1.00 0.84 C ATOM 1650 C GLN A 226 18.876 1.829 7.458 1.00 0.88 C ATOM 1651 O GLN A 226 19.839 1.182 7.870 1.00 0.96 O ATOM 1652 CB GLN A 226 18.066 4.049 8.338 1.00 0.81 C ATOM 1653 CG GLN A 226 17.710 3.165 9.489 1.00 1.19 C ATOM 1654 CD GLN A 226 18.856 2.947 10.466 1.00 1.90 C ATOM 1655 OE1 GLN A 226 19.714 3.812 10.638 1.00 2.75 O ATOM 1656 NE2 GLN A 226 18.882 1.791 11.106 1.00 2.24 N ATOM 0 H GLN A 226 17.700 4.373 6.003 1.00 0.77 H new ATOM 0 HA GLN A 226 19.985 3.653 7.471 1.00 0.84 H new ATOM 0 HB2 GLN A 226 18.578 4.935 8.712 1.00 0.81 H new ATOM 0 HB3 GLN A 226 17.152 4.390 7.852 1.00 0.81 H new ATOM 0 HG2 GLN A 226 16.866 3.601 10.023 1.00 1.19 H new ATOM 0 HG3 GLN A 226 17.381 2.199 9.106 1.00 1.19 H new ATOM 0 HE21 GLN A 226 18.153 1.098 10.937 1.00 2.24 H new ATOM 0 HE22 GLN A 226 19.631 1.592 11.769 1.00 2.24 H new ATOM 1665 N ARG A 227 17.720 1.278 7.103 1.00 0.86 N ATOM 1666 CA ARG A 227 17.459 -0.157 7.176 1.00 0.95 C ATOM 1667 C ARG A 227 18.368 -0.907 6.234 1.00 1.02 C ATOM 1668 O ARG A 227 19.251 -1.658 6.648 1.00 1.10 O ATOM 1669 CB ARG A 227 16.004 -0.426 6.770 1.00 0.98 C ATOM 1670 CG ARG A 227 15.004 0.298 7.633 1.00 0.90 C ATOM 1671 CD ARG A 227 13.629 0.355 6.986 1.00 0.98 C ATOM 1672 NE ARG A 227 12.586 0.746 7.937 1.00 1.84 N ATOM 1673 CZ ARG A 227 11.281 0.736 7.662 1.00 2.35 C ATOM 1674 NH1 ARG A 227 10.853 0.385 6.453 1.00 2.51 N ATOM 1675 NH2 ARG A 227 10.404 1.080 8.596 1.00 3.26 N ATOM 0 H ARG A 227 16.930 1.819 6.753 1.00 0.86 H new ATOM 0 HA ARG A 227 17.641 -0.494 8.197 1.00 0.95 H new ATOM 0 HB2 ARG A 227 15.862 -0.127 5.732 1.00 0.98 H new ATOM 0 HB3 ARG A 227 15.811 -1.498 6.822 1.00 0.98 H new ATOM 0 HG2 ARG A 227 14.930 -0.202 8.599 1.00 0.90 H new ATOM 0 HG3 ARG A 227 15.357 1.311 7.825 1.00 0.90 H new ATOM 0 HD2 ARG A 227 13.648 1.064 6.158 1.00 0.98 H new ATOM 0 HD3 ARG A 227 13.387 -0.621 6.565 1.00 0.98 H new ATOM 0 HE ARG A 227 12.876 1.045 8.868 1.00 1.84 H new ATOM 0 HH11 ARG A 227 11.524 0.122 5.731 1.00 2.51 H new ATOM 0 HH12 ARG A 227 9.854 0.379 6.248 1.00 2.51 H new ATOM 0 HH21 ARG A 227 10.728 1.352 9.524 1.00 3.26 H new ATOM 0 HH22 ARG A 227 9.406 1.072 8.386 1.00 3.26 H new ATOM 1689 N ALA A 228 18.140 -0.636 4.966 1.00 1.03 N ATOM 1690 CA ALA A 228 18.815 -1.290 3.860 1.00 1.15 C ATOM 1691 C ALA A 228 18.736 -2.810 3.989 1.00 1.22 C ATOM 1692 O ALA A 228 17.736 -3.398 3.533 1.00 1.61 O ATOM 1693 CB ALA A 228 20.261 -0.824 3.756 1.00 1.25 C ATOM 0 H ALA A 228 17.462 0.064 4.666 1.00 1.03 H new ATOM 0 HA ALA A 228 18.303 -1.008 2.940 1.00 1.15 H new ATOM 0 HB1 ALA A 228 20.746 -1.328 2.920 1.00 1.25 H new ATOM 0 HB2 ALA A 228 20.285 0.254 3.594 1.00 1.25 H new ATOM 0 HB3 ALA A 228 20.788 -1.064 4.680 1.00 1.25 H new TER 1699 ALA A 228