USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 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 135 HIS : no HE2:sc= 0.529 K(o=1.1,f=-3.3!) USER MOD Set 1.2: A 139 ASN : amide:sc= 0.588 K(o=1.1,f=0.21) USER MOD Set 2.1: A 109 LYS NZ :NH3+ -171:sc= 0.923 (180deg=0) USER MOD Set 2.2: A 110 TYR OH : rot -146:sc= 1.94 USER MOD Set 2.3: A 121 HIS : no HE2:sc= 0.793 K(o=3.7,f=-1.2) USER MOD Set 3.1: A 116 SER OG : rot 180:sc= 0.916 USER MOD Set 3.2: A 120 LYS NZ :NH3+ 156:sc= 0.208 (180deg=-0.599) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.3 USER MOD Single : A 97 LYS NZ :NH3+ -112:sc= -0.066 (180deg=-0.775) USER MOD Single : A 101 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.29) USER MOD Single : A 108 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 162:sc= -0.0121 (180deg=-0.266) USER MOD Single : A 123 LYS NZ :NH3+ 140:sc= -0.0537 (180deg=-0.373) USER MOD Single : A 128 LYS NZ :NH3+ -176:sc= 1.07 (180deg=0.899) USER MOD Single : A 129 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.2!) USER MOD Single : A 130 CYS SG : rot 180:sc= -0.239 USER MOD Single : A 136 ASN : amide:sc= 0.424 K(o=0.42,f=-0.17) USER MOD Single : A 137 HIS : no HD1:sc= -0.0043 X(o=-0.0043,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 13.385 2.781 -10.862 1.00 0.00 N ATOM 2 CA LEU A 90 14.434 2.509 -9.864 1.00 0.00 C ATOM 3 C LEU A 90 14.453 1.020 -9.517 1.00 0.00 C ATOM 4 O LEU A 90 15.394 0.315 -9.870 1.00 0.00 O ATOM 5 CB LEU A 90 14.207 3.365 -8.606 1.00 0.00 C ATOM 6 CG LEU A 90 15.405 3.244 -7.650 1.00 0.00 C ATOM 7 CD1 LEU A 90 16.536 4.171 -8.108 1.00 0.00 C ATOM 8 CD2 LEU A 90 14.970 3.639 -6.237 1.00 0.00 C ATOM 0 HA LEU A 90 15.404 2.775 -10.284 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.064 4.408 -8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.296 3.044 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 90 15.761 2.214 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.381 4.079 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.850 3.892 -9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.183 5.202 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.818 3.554 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.611 4.668 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.171 2.977 -5.904 1.00 0.00 H new ATOM 22 N ILE A 91 13.407 0.546 -8.828 1.00 0.00 N ATOM 23 CA ILE A 91 13.303 -0.853 -8.441 1.00 0.00 C ATOM 24 C ILE A 91 12.778 -1.667 -9.624 1.00 0.00 C ATOM 25 O ILE A 91 12.064 -1.138 -10.477 1.00 0.00 O ATOM 26 CB ILE A 91 12.362 -0.981 -7.228 1.00 0.00 C ATOM 27 CG1 ILE A 91 12.789 -0.018 -6.098 1.00 0.00 C ATOM 28 CG2 ILE A 91 12.371 -2.425 -6.709 1.00 0.00 C ATOM 29 CD1 ILE A 91 14.259 -0.231 -5.715 1.00 0.00 C ATOM 0 H ILE A 91 12.620 1.121 -8.529 1.00 0.00 H new ATOM 0 HA ILE A 91 14.284 -1.237 -8.161 1.00 0.00 H new ATOM 0 HB ILE A 91 11.354 -0.716 -7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.640 1.013 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.156 -0.175 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.703 -2.508 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 91 12.033 -3.097 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.383 -2.697 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.531 0.461 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.401 -1.256 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.891 -0.050 -6.584 1.00 0.00 H new ATOM 41 N LYS A 92 13.135 -2.955 -9.670 1.00 0.00 N ATOM 42 CA LYS A 92 12.702 -3.850 -10.731 1.00 0.00 C ATOM 43 C LYS A 92 12.643 -5.269 -10.183 1.00 0.00 C ATOM 44 O LYS A 92 13.643 -5.982 -10.181 1.00 0.00 O ATOM 45 CB LYS A 92 13.679 -3.741 -11.910 1.00 0.00 C ATOM 46 CG LYS A 92 13.317 -4.738 -13.031 1.00 0.00 C ATOM 47 CD LYS A 92 12.095 -4.251 -13.824 1.00 0.00 C ATOM 48 CE LYS A 92 12.516 -3.170 -14.827 1.00 0.00 C ATOM 49 NZ LYS A 92 11.390 -2.794 -15.699 1.00 0.00 N ATOM 0 H LYS A 92 13.731 -3.399 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 92 11.709 -3.578 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.664 -2.725 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.694 -3.933 -11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.167 -4.860 -13.703 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.109 -5.717 -12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.636 -5.088 -14.350 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.344 -3.853 -13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.875 -2.291 -14.291 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.345 -3.534 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.699 -2.061 -16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.065 -3.630 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.610 -2.425 -15.119 1.00 0.00 H new ATOM 63 N GLY A 93 11.465 -5.672 -9.718 1.00 0.00 N ATOM 64 CA GLY A 93 11.264 -7.001 -9.164 1.00 0.00 C ATOM 65 C GLY A 93 11.594 -8.065 -10.213 1.00 0.00 C ATOM 66 O GLY A 93 12.614 -8.745 -10.100 1.00 0.00 O ATOM 0 H GLY A 93 10.629 -5.088 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.896 -7.137 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.231 -7.113 -8.834 1.00 0.00 H new ATOM 70 N PRO A 94 10.735 -8.213 -11.238 1.00 0.00 N ATOM 71 CA PRO A 94 10.942 -9.177 -12.296 1.00 0.00 C ATOM 72 C PRO A 94 12.141 -8.770 -13.151 1.00 0.00 C ATOM 73 O PRO A 94 12.085 -7.771 -13.868 1.00 0.00 O ATOM 74 CB PRO A 94 9.650 -9.175 -13.115 1.00 0.00 C ATOM 75 CG PRO A 94 8.853 -7.948 -12.663 1.00 0.00 C ATOM 76 CD PRO A 94 9.523 -7.435 -11.390 1.00 0.00 C ATOM 0 HA PRO A 94 11.158 -10.173 -11.909 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.867 -9.126 -14.182 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.082 -10.090 -12.947 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.853 -7.180 -13.437 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.812 -8.211 -12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.749 -6.372 -11.469 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.869 -7.559 -10.527 1.00 0.00 H new ATOM 84 N TRP A 95 13.220 -9.550 -13.074 1.00 0.00 N ATOM 85 CA TRP A 95 14.420 -9.289 -13.851 1.00 0.00 C ATOM 86 C TRP A 95 14.128 -9.501 -15.336 1.00 0.00 C ATOM 87 O TRP A 95 13.309 -10.347 -15.693 1.00 0.00 O ATOM 88 CB TRP A 95 15.528 -10.230 -13.384 1.00 0.00 C ATOM 89 CG TRP A 95 16.418 -9.675 -12.321 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.103 -9.523 -11.023 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.787 -9.197 -12.443 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.163 -9.005 -10.317 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.242 -8.779 -11.154 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.695 -9.076 -13.512 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.526 -8.270 -10.943 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.988 -8.565 -13.308 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.404 -8.160 -12.028 1.00 0.00 C ATOM 0 H TRP A 95 13.281 -10.373 -12.475 1.00 0.00 H new ATOM 0 HA TRP A 95 14.741 -8.258 -13.706 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.073 -11.148 -13.013 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.140 -10.502 -14.244 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.145 -9.774 -10.592 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.155 -8.814 -9.315 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.393 -9.380 -14.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.837 -7.965 -9.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.668 -8.483 -14.143 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.398 -7.765 -11.882 1.00 0.00 H new ATOM 108 N THR A 96 14.801 -8.728 -16.199 1.00 0.00 N ATOM 109 CA THR A 96 14.609 -8.825 -17.639 1.00 0.00 C ATOM 110 C THR A 96 15.762 -9.611 -18.261 1.00 0.00 C ATOM 111 O THR A 96 16.860 -9.655 -17.706 1.00 0.00 O ATOM 112 CB THR A 96 14.522 -7.415 -18.246 1.00 0.00 C ATOM 113 OG1 THR A 96 15.810 -6.840 -18.307 1.00 0.00 O ATOM 114 CG2 THR A 96 13.611 -6.529 -17.390 1.00 0.00 C ATOM 0 H THR A 96 15.485 -8.027 -15.915 1.00 0.00 H new ATOM 0 HA THR A 96 13.678 -9.351 -17.849 1.00 0.00 H new ATOM 0 HB THR A 96 14.108 -7.491 -19.252 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.750 -5.943 -18.696 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.556 -5.533 -17.828 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.612 -6.964 -17.351 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.016 -6.459 -16.380 1.00 0.00 H new ATOM 122 N LYS A 97 15.510 -10.229 -19.422 1.00 0.00 N ATOM 123 CA LYS A 97 16.529 -10.993 -20.128 1.00 0.00 C ATOM 124 C LYS A 97 17.687 -10.074 -20.514 1.00 0.00 C ATOM 125 O LYS A 97 18.845 -10.487 -20.496 1.00 0.00 O ATOM 126 CB LYS A 97 15.904 -11.636 -21.372 1.00 0.00 C ATOM 127 CG LYS A 97 16.933 -12.544 -22.058 1.00 0.00 C ATOM 128 CD LYS A 97 16.253 -13.407 -23.131 1.00 0.00 C ATOM 129 CE LYS A 97 15.681 -12.523 -24.249 1.00 0.00 C ATOM 130 NZ LYS A 97 14.260 -12.204 -24.008 1.00 0.00 N ATOM 0 H LYS A 97 14.603 -10.210 -19.888 1.00 0.00 H new ATOM 0 HA LYS A 97 16.918 -11.781 -19.483 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.024 -12.215 -21.091 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.569 -10.863 -22.063 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.717 -11.938 -22.512 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.414 -13.184 -21.318 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.972 -14.112 -23.549 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.454 -13.996 -22.680 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.257 -11.600 -24.316 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.784 -13.033 -25.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.672 -12.676 -24.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.986 -12.535 -23.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.120 -11.175 -24.069 1.00 0.00 H new ATOM 144 N GLU A 98 17.367 -8.822 -20.862 1.00 0.00 N ATOM 145 CA GLU A 98 18.371 -7.846 -21.242 1.00 0.00 C ATOM 146 C GLU A 98 19.296 -7.569 -20.056 1.00 0.00 C ATOM 147 O GLU A 98 20.514 -7.511 -20.216 1.00 0.00 O ATOM 148 CB GLU A 98 17.673 -6.563 -21.704 1.00 0.00 C ATOM 149 CG GLU A 98 18.618 -5.751 -22.592 1.00 0.00 C ATOM 150 CD GLU A 98 18.067 -4.352 -22.829 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.991 -3.597 -21.834 1.00 0.00 O ATOM 152 OE2 GLU A 98 17.735 -4.061 -23.995 1.00 0.00 O ATOM 0 H GLU A 98 16.411 -8.468 -20.885 1.00 0.00 H new ATOM 0 HA GLU A 98 18.976 -8.232 -22.062 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.765 -6.810 -22.254 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.372 -5.970 -20.840 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.599 -5.686 -22.122 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.755 -6.260 -23.546 1.00 0.00 H new ATOM 159 N GLU A 99 18.717 -7.400 -18.860 1.00 0.00 N ATOM 160 CA GLU A 99 19.500 -7.141 -17.664 1.00 0.00 C ATOM 161 C GLU A 99 20.348 -8.372 -17.331 1.00 0.00 C ATOM 162 O GLU A 99 21.516 -8.241 -16.970 1.00 0.00 O ATOM 163 CB GLU A 99 18.567 -6.778 -16.510 1.00 0.00 C ATOM 164 CG GLU A 99 19.332 -5.945 -15.479 1.00 0.00 C ATOM 165 CD GLU A 99 18.517 -5.768 -14.206 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.277 -5.927 -14.289 1.00 0.00 O ATOM 167 OE2 GLU A 99 19.146 -5.477 -13.170 1.00 0.00 O ATOM 0 H GLU A 99 17.710 -7.440 -18.704 1.00 0.00 H new ATOM 0 HA GLU A 99 20.173 -6.300 -17.833 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.710 -6.217 -16.883 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.177 -7.683 -16.045 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.279 -6.431 -15.244 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.571 -4.969 -15.900 1.00 0.00 H new ATOM 174 N ASP A 100 19.763 -9.570 -17.467 1.00 0.00 N ATOM 175 CA ASP A 100 20.489 -10.812 -17.230 1.00 0.00 C ATOM 176 C ASP A 100 21.716 -10.853 -18.140 1.00 0.00 C ATOM 177 O ASP A 100 22.812 -11.189 -17.693 1.00 0.00 O ATOM 178 CB ASP A 100 19.571 -12.015 -17.504 1.00 0.00 C ATOM 179 CG ASP A 100 18.843 -12.462 -16.249 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.558 -11.586 -15.414 1.00 0.00 O ATOM 181 OD2 ASP A 100 18.577 -13.678 -16.147 1.00 0.00 O ATOM 0 H ASP A 100 18.789 -9.699 -17.740 1.00 0.00 H new ATOM 0 HA ASP A 100 20.813 -10.859 -16.190 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.844 -11.751 -18.272 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.162 -12.842 -17.896 1.00 0.00 H new ATOM 186 N GLN A 101 21.529 -10.500 -19.420 1.00 0.00 N ATOM 187 CA GLN A 101 22.620 -10.478 -20.381 1.00 0.00 C ATOM 188 C GLN A 101 23.711 -9.515 -19.905 1.00 0.00 C ATOM 189 O GLN A 101 24.895 -9.844 -19.969 1.00 0.00 O ATOM 190 CB GLN A 101 22.082 -10.070 -21.759 1.00 0.00 C ATOM 191 CG GLN A 101 23.170 -10.241 -22.828 1.00 0.00 C ATOM 192 CD GLN A 101 23.624 -11.695 -22.927 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.766 -12.015 -22.611 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.724 -12.575 -23.367 1.00 0.00 N ATOM 0 H GLN A 101 20.625 -10.226 -19.806 1.00 0.00 H new ATOM 0 HA GLN A 101 23.059 -11.472 -20.464 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.214 -10.679 -22.013 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.747 -9.033 -21.734 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.789 -9.910 -23.794 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.023 -9.607 -22.587 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.786 -12.263 -23.618 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.974 -13.560 -23.452 1.00 0.00 H new ATOM 203 N ARG A 102 23.317 -8.325 -19.421 1.00 0.00 N ATOM 204 CA ARG A 102 24.280 -7.351 -18.923 1.00 0.00 C ATOM 205 C ARG A 102 25.109 -7.981 -17.806 1.00 0.00 C ATOM 206 O ARG A 102 26.330 -7.919 -17.843 1.00 0.00 O ATOM 207 CB ARG A 102 23.568 -6.093 -18.408 1.00 0.00 C ATOM 208 CG ARG A 102 23.101 -5.229 -19.580 1.00 0.00 C ATOM 209 CD ARG A 102 22.618 -3.877 -19.046 1.00 0.00 C ATOM 210 NE ARG A 102 22.071 -3.044 -20.126 1.00 0.00 N ATOM 211 CZ ARG A 102 20.808 -3.156 -20.577 1.00 0.00 C ATOM 212 NH1 ARG A 102 19.984 -4.081 -20.072 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.368 -2.340 -21.540 1.00 0.00 N ATOM 0 H ARG A 102 22.344 -8.024 -19.368 1.00 0.00 H new ATOM 0 HA ARG A 102 24.937 -7.056 -19.742 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.714 -6.377 -17.793 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.242 -5.520 -17.771 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.917 -5.084 -20.288 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.296 -5.729 -20.119 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.855 -4.036 -18.284 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.446 -3.356 -18.565 1.00 0.00 H new ATOM 0 HE ARG A 102 22.679 -2.346 -20.555 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.311 -4.709 -19.338 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.029 -4.158 -20.421 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.989 -1.633 -21.933 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.411 -2.425 -21.882 1.00 0.00 H new ATOM 227 N VAL A 103 24.442 -8.588 -16.813 1.00 0.00 N ATOM 228 CA VAL A 103 25.134 -9.215 -15.693 1.00 0.00 C ATOM 229 C VAL A 103 26.149 -10.233 -16.207 1.00 0.00 C ATOM 230 O VAL A 103 27.295 -10.210 -15.789 1.00 0.00 O ATOM 231 CB VAL A 103 24.121 -9.884 -14.753 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.853 -10.766 -13.737 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.338 -8.813 -14.000 1.00 0.00 C ATOM 0 H VAL A 103 23.425 -8.654 -16.769 1.00 0.00 H new ATOM 0 HA VAL A 103 25.669 -8.449 -15.132 1.00 0.00 H new ATOM 0 HB VAL A 103 23.441 -10.496 -15.346 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.127 -11.237 -13.074 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.417 -11.536 -14.263 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.537 -10.153 -13.150 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.619 -9.289 -13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.026 -8.203 -13.415 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.808 -8.181 -14.713 1.00 0.00 H new ATOM 243 N ILE A 104 25.726 -11.127 -17.110 1.00 0.00 N ATOM 244 CA ILE A 104 26.612 -12.154 -17.653 1.00 0.00 C ATOM 245 C ILE A 104 27.908 -11.515 -18.175 1.00 0.00 C ATOM 246 O ILE A 104 28.998 -11.996 -17.870 1.00 0.00 O ATOM 247 CB ILE A 104 25.881 -12.929 -18.766 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.829 -13.858 -18.139 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.890 -13.763 -19.571 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.902 -14.420 -19.223 1.00 0.00 C ATOM 0 H ILE A 104 24.775 -11.156 -17.477 1.00 0.00 H new ATOM 0 HA ILE A 104 26.883 -12.857 -16.865 1.00 0.00 H new ATOM 0 HB ILE A 104 25.390 -12.221 -19.433 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.323 -14.675 -17.614 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.245 -13.310 -17.399 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.367 -14.309 -20.356 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.632 -13.103 -20.020 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.388 -14.470 -18.908 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.162 -15.076 -18.765 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.395 -13.599 -19.729 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.489 -14.985 -19.947 1.00 0.00 H new ATOM 262 N GLU A 105 27.788 -10.437 -18.961 1.00 0.00 N ATOM 263 CA GLU A 105 28.953 -9.768 -19.530 1.00 0.00 C ATOM 264 C GLU A 105 29.779 -9.092 -18.426 1.00 0.00 C ATOM 265 O GLU A 105 30.987 -9.290 -18.345 1.00 0.00 O ATOM 266 CB GLU A 105 28.491 -8.741 -20.576 1.00 0.00 C ATOM 267 CG GLU A 105 29.496 -8.687 -21.734 1.00 0.00 C ATOM 268 CD GLU A 105 30.901 -8.358 -21.238 1.00 0.00 C ATOM 269 OE1 GLU A 105 31.095 -7.201 -20.807 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.754 -9.274 -21.298 1.00 0.00 O ATOM 0 H GLU A 105 26.895 -10.014 -19.214 1.00 0.00 H new ATOM 0 HA GLU A 105 29.590 -10.506 -20.017 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.504 -9.011 -20.952 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.399 -7.757 -20.116 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.507 -9.645 -22.253 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.179 -7.936 -22.458 1.00 0.00 H new ATOM 277 N LEU A 106 29.128 -8.292 -17.578 1.00 0.00 N ATOM 278 CA LEU A 106 29.814 -7.582 -16.504 1.00 0.00 C ATOM 279 C LEU A 106 30.527 -8.574 -15.577 1.00 0.00 C ATOM 280 O LEU A 106 31.576 -8.256 -15.025 1.00 0.00 O ATOM 281 CB LEU A 106 28.803 -6.733 -15.724 1.00 0.00 C ATOM 282 CG LEU A 106 28.222 -5.625 -16.622 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.079 -4.926 -15.883 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.307 -4.599 -16.970 1.00 0.00 C ATOM 0 H LEU A 106 28.123 -8.122 -17.618 1.00 0.00 H new ATOM 0 HA LEU A 106 30.569 -6.923 -16.932 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.998 -7.367 -15.351 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.287 -6.288 -14.855 1.00 0.00 H new ATOM 0 HG LEU A 106 27.851 -6.072 -17.544 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.664 -4.140 -16.515 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.300 -5.652 -15.648 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.457 -4.487 -14.960 1.00 0.00 H new ATOM 0 HD21 LEU A 106 28.882 -3.822 -17.605 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.690 -4.150 -16.054 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.121 -5.095 -17.499 1.00 0.00 H new ATOM 296 N VAL A 107 29.965 -9.775 -15.416 1.00 0.00 N ATOM 297 CA VAL A 107 30.574 -10.809 -14.594 1.00 0.00 C ATOM 298 C VAL A 107 31.777 -11.380 -15.343 1.00 0.00 C ATOM 299 O VAL A 107 32.844 -11.538 -14.768 1.00 0.00 O ATOM 300 CB VAL A 107 29.535 -11.895 -14.269 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.232 -13.149 -13.736 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.568 -11.370 -13.202 1.00 0.00 C ATOM 0 H VAL A 107 29.084 -10.050 -15.850 1.00 0.00 H new ATOM 0 HA VAL A 107 30.919 -10.395 -13.647 1.00 0.00 H new ATOM 0 HB VAL A 107 28.989 -12.145 -15.178 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.486 -13.911 -13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.922 -13.529 -14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.784 -12.901 -12.830 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.830 -12.138 -12.970 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.124 -11.117 -12.300 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.060 -10.481 -13.577 1.00 0.00 H new ATOM 312 N GLN A 108 31.605 -11.672 -16.635 1.00 0.00 N ATOM 313 CA GLN A 108 32.695 -12.166 -17.464 1.00 0.00 C ATOM 314 C GLN A 108 33.870 -11.181 -17.391 1.00 0.00 C ATOM 315 O GLN A 108 35.029 -11.589 -17.405 1.00 0.00 O ATOM 316 CB GLN A 108 32.190 -12.324 -18.906 1.00 0.00 C ATOM 317 CG GLN A 108 33.339 -12.719 -19.837 1.00 0.00 C ATOM 318 CD GLN A 108 32.822 -12.977 -21.249 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.924 -14.093 -21.753 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.265 -11.946 -21.889 1.00 0.00 N ATOM 0 H GLN A 108 30.716 -11.573 -17.126 1.00 0.00 H new ATOM 0 HA GLN A 108 33.040 -13.137 -17.108 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.408 -13.082 -18.942 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.744 -11.389 -19.246 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.087 -11.926 -19.857 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.832 -13.613 -19.456 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.201 -11.036 -21.432 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.903 -12.068 -22.835 1.00 0.00 H new ATOM 329 N LYS A 109 33.553 -9.883 -17.310 1.00 0.00 N ATOM 330 CA LYS A 109 34.553 -8.834 -17.232 1.00 0.00 C ATOM 331 C LYS A 109 35.203 -8.809 -15.842 1.00 0.00 C ATOM 332 O LYS A 109 36.414 -8.985 -15.723 1.00 0.00 O ATOM 333 CB LYS A 109 33.877 -7.492 -17.541 1.00 0.00 C ATOM 334 CG LYS A 109 34.931 -6.388 -17.663 1.00 0.00 C ATOM 335 CD LYS A 109 34.234 -5.036 -17.826 1.00 0.00 C ATOM 336 CE LYS A 109 35.277 -3.914 -17.829 1.00 0.00 C ATOM 337 NZ LYS A 109 34.631 -2.592 -17.751 1.00 0.00 N ATOM 0 H LYS A 109 32.593 -9.540 -17.297 1.00 0.00 H new ATOM 0 HA LYS A 109 35.343 -9.022 -17.959 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.309 -7.567 -18.468 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.168 -7.243 -16.752 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.567 -6.377 -16.778 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.579 -6.581 -18.518 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.665 -5.019 -18.756 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.523 -4.882 -17.014 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.956 -4.041 -16.986 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.880 -3.975 -18.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.341 -1.849 -17.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.892 -2.523 -18.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.203 -2.470 -16.811 1.00 0.00 H new ATOM 351 N TYR A 110 34.396 -8.574 -14.796 1.00 0.00 N ATOM 352 CA TYR A 110 34.898 -8.470 -13.429 1.00 0.00 C ATOM 353 C TYR A 110 34.904 -9.839 -12.751 1.00 0.00 C ATOM 354 O TYR A 110 35.968 -10.390 -12.473 1.00 0.00 O ATOM 355 CB TYR A 110 34.019 -7.489 -12.640 1.00 0.00 C ATOM 356 CG TYR A 110 33.887 -6.130 -13.294 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.030 -5.352 -13.557 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.615 -5.642 -13.637 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.896 -4.090 -14.162 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.484 -4.385 -14.241 1.00 0.00 C ATOM 361 CZ TYR A 110 33.621 -3.607 -14.502 1.00 0.00 C ATOM 362 OH TYR A 110 33.486 -2.381 -15.087 1.00 0.00 O ATOM 0 H TYR A 110 33.387 -8.453 -14.879 1.00 0.00 H new ATOM 0 HA TYR A 110 35.923 -8.101 -13.453 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.026 -7.922 -12.518 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.437 -7.363 -11.641 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.009 -5.724 -13.294 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.737 -6.237 -13.435 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.772 -3.492 -14.365 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.505 -4.014 -14.506 1.00 0.00 H new ATOM 0 HH TYR A 110 32.655 -1.962 -14.780 1.00 0.00 H new ATOM 372 N GLY A 111 33.710 -10.373 -12.474 1.00 0.00 N ATOM 373 CA GLY A 111 33.553 -11.659 -11.809 1.00 0.00 C ATOM 374 C GLY A 111 32.709 -11.485 -10.548 1.00 0.00 C ATOM 375 O GLY A 111 32.403 -10.357 -10.159 1.00 0.00 O ATOM 0 H GLY A 111 32.826 -9.920 -12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.077 -12.372 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.530 -12.068 -11.551 1.00 0.00 H new ATOM 379 N PRO A 112 32.328 -12.600 -9.904 1.00 0.00 N ATOM 380 CA PRO A 112 31.530 -12.572 -8.698 1.00 0.00 C ATOM 381 C PRO A 112 32.307 -11.920 -7.549 1.00 0.00 C ATOM 382 O PRO A 112 33.498 -11.636 -7.678 1.00 0.00 O ATOM 383 CB PRO A 112 31.193 -14.036 -8.391 1.00 0.00 C ATOM 384 CG PRO A 112 32.029 -14.893 -9.350 1.00 0.00 C ATOM 385 CD PRO A 112 32.669 -13.933 -10.352 1.00 0.00 C ATOM 0 HA PRO A 112 30.624 -11.979 -8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.426 -14.277 -7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.129 -14.225 -8.531 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.792 -15.450 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 112 31.403 -15.625 -9.861 1.00 0.00 H new ATOM 0 HD2 PRO A 112 33.750 -14.068 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.294 -14.114 -11.359 1.00 0.00 H new ATOM 393 N LYS A 113 31.612 -11.685 -6.425 1.00 0.00 N ATOM 394 CA LYS A 113 32.197 -11.066 -5.232 1.00 0.00 C ATOM 395 C LYS A 113 32.642 -9.627 -5.525 1.00 0.00 C ATOM 396 O LYS A 113 33.460 -9.071 -4.796 1.00 0.00 O ATOM 397 CB LYS A 113 33.379 -11.902 -4.709 1.00 0.00 C ATOM 398 CG LYS A 113 32.985 -13.379 -4.546 1.00 0.00 C ATOM 399 CD LYS A 113 31.855 -13.519 -3.516 1.00 0.00 C ATOM 400 CE LYS A 113 31.598 -15.001 -3.219 1.00 0.00 C ATOM 401 NZ LYS A 113 32.725 -15.607 -2.485 1.00 0.00 N ATOM 0 H LYS A 113 30.625 -11.921 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 113 31.430 -11.034 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.219 -11.821 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.714 -11.504 -3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.664 -13.785 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.850 -13.960 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.122 -12.996 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.946 -13.053 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 113 30.684 -15.103 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.440 -15.539 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 32.412 -16.492 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.502 -15.809 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.057 -14.947 -1.753 1.00 0.00 H new ATOM 415 N ARG A 114 32.090 -9.031 -6.587 1.00 0.00 N ATOM 416 CA ARG A 114 32.391 -7.654 -6.973 1.00 0.00 C ATOM 417 C ARG A 114 31.100 -7.001 -7.462 1.00 0.00 C ATOM 418 O ARG A 114 31.079 -6.314 -8.485 1.00 0.00 O ATOM 419 CB ARG A 114 33.476 -7.642 -8.061 1.00 0.00 C ATOM 420 CG ARG A 114 34.807 -8.116 -7.467 1.00 0.00 C ATOM 421 CD ARG A 114 35.908 -8.064 -8.532 1.00 0.00 C ATOM 422 NE ARG A 114 35.870 -9.246 -9.406 1.00 0.00 N ATOM 423 CZ ARG A 114 36.356 -10.450 -9.043 1.00 0.00 C ATOM 424 NH1 ARG A 114 36.717 -10.681 -7.773 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.483 -11.418 -9.956 1.00 0.00 N ATOM 0 H ARG A 114 31.421 -9.493 -7.203 1.00 0.00 H new ATOM 0 HA ARG A 114 32.775 -7.090 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.184 -8.290 -8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.586 -6.637 -8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.080 -7.487 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.704 -9.133 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.792 -7.162 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.882 -8.000 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 114 35.455 -9.150 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.625 -9.944 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.084 -11.594 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.213 -11.245 -10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 114 36.850 -12.330 -9.685 1.00 0.00 H new ATOM 439 N TRP A 115 30.017 -7.237 -6.715 1.00 0.00 N ATOM 440 CA TRP A 115 28.696 -6.739 -7.056 1.00 0.00 C ATOM 441 C TRP A 115 28.607 -5.227 -6.868 1.00 0.00 C ATOM 442 O TRP A 115 27.683 -4.601 -7.373 1.00 0.00 O ATOM 443 CB TRP A 115 27.672 -7.490 -6.208 1.00 0.00 C ATOM 444 CG TRP A 115 27.754 -8.970 -6.406 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.139 -9.876 -5.490 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.505 -9.729 -7.621 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.164 -11.140 -6.033 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.785 -11.107 -7.364 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.081 -9.395 -8.927 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.666 -12.089 -8.349 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.953 -10.385 -9.920 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.258 -11.721 -9.636 1.00 0.00 C ATOM 0 H TRP A 115 30.040 -7.783 -5.854 1.00 0.00 H new ATOM 0 HA TRP A 115 28.487 -6.919 -8.111 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.832 -7.256 -5.156 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.669 -7.146 -6.462 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.394 -9.643 -4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.426 -11.985 -5.525 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.852 -8.367 -9.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.886 -13.121 -8.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.617 -10.111 -10.909 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.178 -12.469 -10.411 1.00 0.00 H new ATOM 463 N SER A 116 29.575 -4.641 -6.160 1.00 0.00 N ATOM 464 CA SER A 116 29.628 -3.202 -5.969 1.00 0.00 C ATOM 465 C SER A 116 29.783 -2.524 -7.332 1.00 0.00 C ATOM 466 O SER A 116 29.007 -1.637 -7.683 1.00 0.00 O ATOM 467 CB SER A 116 30.812 -2.871 -5.047 1.00 0.00 C ATOM 468 OG SER A 116 31.129 -1.497 -5.126 1.00 0.00 O ATOM 0 H SER A 116 30.335 -5.151 -5.709 1.00 0.00 H new ATOM 0 HA SER A 116 28.711 -2.837 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.565 -3.135 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.679 -3.468 -5.330 1.00 0.00 H new ATOM 0 HG SER A 116 31.884 -1.301 -4.532 1.00 0.00 H new ATOM 474 N VAL A 117 30.794 -2.953 -8.096 1.00 0.00 N ATOM 475 CA VAL A 117 31.077 -2.395 -9.412 1.00 0.00 C ATOM 476 C VAL A 117 29.923 -2.691 -10.372 1.00 0.00 C ATOM 477 O VAL A 117 29.475 -1.805 -11.095 1.00 0.00 O ATOM 478 CB VAL A 117 32.396 -2.990 -9.930 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.702 -2.440 -11.324 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.540 -2.618 -8.979 1.00 0.00 C ATOM 0 H VAL A 117 31.435 -3.695 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 117 31.178 -1.312 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 117 32.300 -4.075 -9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.638 -2.865 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.895 -2.707 -12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.792 -1.355 -11.275 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.473 -3.042 -9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.630 -1.533 -8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.331 -3.015 -7.985 1.00 0.00 H new ATOM 490 N ILE A 118 29.445 -3.937 -10.377 1.00 0.00 N ATOM 491 CA ILE A 118 28.359 -4.347 -11.258 1.00 0.00 C ATOM 492 C ILE A 118 27.095 -3.524 -10.959 1.00 0.00 C ATOM 493 O ILE A 118 26.376 -3.137 -11.882 1.00 0.00 O ATOM 494 CB ILE A 118 28.118 -5.858 -11.081 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.347 -6.631 -11.602 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.873 -6.288 -11.867 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.407 -8.028 -10.986 1.00 0.00 C ATOM 0 H ILE A 118 29.798 -4.681 -9.775 1.00 0.00 H new ATOM 0 HA ILE A 118 28.625 -4.160 -12.298 1.00 0.00 H new ATOM 0 HB ILE A 118 27.963 -6.076 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.300 -6.709 -12.688 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.257 -6.082 -11.361 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.711 -7.358 -11.735 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.004 -5.742 -11.500 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.018 -6.070 -12.925 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.281 -8.556 -11.367 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.477 -7.945 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.505 -8.581 -11.250 1.00 0.00 H new ATOM 509 N ALA A 119 26.827 -3.252 -9.674 1.00 0.00 N ATOM 510 CA ALA A 119 25.653 -2.484 -9.272 1.00 0.00 C ATOM 511 C ALA A 119 25.750 -1.037 -9.771 1.00 0.00 C ATOM 512 O ALA A 119 24.741 -0.456 -10.162 1.00 0.00 O ATOM 513 CB ALA A 119 25.515 -2.519 -7.749 1.00 0.00 C ATOM 0 H ALA A 119 27.413 -3.556 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 119 24.767 -2.933 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.638 -1.945 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.404 -3.551 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.405 -2.086 -7.293 1.00 0.00 H new ATOM 519 N LYS A 120 26.962 -0.453 -9.760 1.00 0.00 N ATOM 520 CA LYS A 120 27.157 0.925 -10.215 1.00 0.00 C ATOM 521 C LYS A 120 26.752 1.061 -11.686 1.00 0.00 C ATOM 522 O LYS A 120 26.372 2.147 -12.122 1.00 0.00 O ATOM 523 CB LYS A 120 28.619 1.344 -10.007 1.00 0.00 C ATOM 524 CG LYS A 120 28.861 1.597 -8.517 1.00 0.00 C ATOM 525 CD LYS A 120 30.332 1.971 -8.271 1.00 0.00 C ATOM 526 CE LYS A 120 30.953 1.020 -7.242 1.00 0.00 C ATOM 527 NZ LYS A 120 30.195 1.021 -5.976 1.00 0.00 N ATOM 0 H LYS A 120 27.814 -0.916 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 120 26.522 1.588 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.289 0.564 -10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.837 2.244 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.211 2.399 -8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.604 0.706 -7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.889 1.921 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.399 2.999 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.981 0.009 -7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.985 1.314 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.360 0.127 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.510 1.816 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 29.180 1.121 -6.179 1.00 0.00 H new ATOM 541 N HIS A 121 26.823 -0.040 -12.444 1.00 0.00 N ATOM 542 CA HIS A 121 26.438 -0.041 -13.843 1.00 0.00 C ATOM 543 C HIS A 121 24.937 -0.277 -13.936 1.00 0.00 C ATOM 544 O HIS A 121 24.232 0.459 -14.626 1.00 0.00 O ATOM 545 CB HIS A 121 27.227 -1.123 -14.580 1.00 0.00 C ATOM 546 CG HIS A 121 28.711 -0.997 -14.350 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.347 0.231 -14.189 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.709 -1.926 -14.235 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.655 -0.030 -13.998 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.946 -1.331 -14.017 1.00 0.00 N ATOM 0 H HIS A 121 27.147 -0.944 -12.100 1.00 0.00 H new ATOM 0 HA HIS A 121 26.665 0.917 -14.311 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.891 -2.106 -14.248 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.019 -1.059 -15.648 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.907 1.151 -14.211 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.554 -2.993 -14.305 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.396 0.740 -13.844 1.00 0.00 H new ATOM 558 N LEU A 122 24.446 -1.297 -13.222 1.00 0.00 N ATOM 559 CA LEU A 122 23.026 -1.592 -13.177 1.00 0.00 C ATOM 560 C LEU A 122 22.370 -0.678 -12.142 1.00 0.00 C ATOM 561 O LEU A 122 21.911 -1.138 -11.096 1.00 0.00 O ATOM 562 CB LEU A 122 22.813 -3.072 -12.828 1.00 0.00 C ATOM 563 CG LEU A 122 23.424 -3.971 -13.915 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.291 -5.431 -13.493 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.698 -3.761 -15.249 1.00 0.00 C ATOM 0 H LEU A 122 25.023 -1.930 -12.668 1.00 0.00 H new ATOM 0 HA LEU A 122 22.569 -1.411 -14.150 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.270 -3.294 -11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.747 -3.280 -12.731 1.00 0.00 H new ATOM 0 HG LEU A 122 24.476 -3.713 -14.040 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.723 -6.073 -14.261 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.818 -5.587 -12.551 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.237 -5.678 -13.365 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.141 -4.404 -16.010 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.643 -4.011 -15.132 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.793 -2.719 -15.555 1.00 0.00 H new ATOM 577 N LYS A 123 22.341 0.628 -12.446 1.00 0.00 N ATOM 578 CA LYS A 123 21.781 1.636 -11.554 1.00 0.00 C ATOM 579 C LYS A 123 20.399 1.204 -11.066 1.00 0.00 C ATOM 580 O LYS A 123 19.532 0.868 -11.871 1.00 0.00 O ATOM 581 CB LYS A 123 21.699 2.976 -12.292 1.00 0.00 C ATOM 582 CG LYS A 123 23.114 3.490 -12.593 1.00 0.00 C ATOM 583 CD LYS A 123 23.053 4.699 -13.540 1.00 0.00 C ATOM 584 CE LYS A 123 22.263 5.855 -12.907 1.00 0.00 C ATOM 585 NZ LYS A 123 22.817 6.232 -11.593 1.00 0.00 N ATOM 0 H LYS A 123 22.707 1.008 -13.319 1.00 0.00 H new ATOM 0 HA LYS A 123 22.427 1.748 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.140 2.857 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.159 3.703 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.611 3.772 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.708 2.696 -13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.064 5.031 -13.777 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.585 4.406 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 123 22.283 6.718 -13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.219 5.564 -12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.804 7.267 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.242 5.805 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.796 5.889 -11.518 1.00 0.00 H new ATOM 599 N GLY A 124 20.209 1.213 -9.740 1.00 0.00 N ATOM 600 CA GLY A 124 18.956 0.805 -9.124 1.00 0.00 C ATOM 601 C GLY A 124 19.170 -0.474 -8.322 1.00 0.00 C ATOM 602 O GLY A 124 18.529 -0.675 -7.291 1.00 0.00 O ATOM 0 H GLY A 124 20.923 1.504 -9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.585 1.596 -8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.199 0.642 -9.891 1.00 0.00 H new ATOM 606 N ARG A 125 20.076 -1.339 -8.798 1.00 0.00 N ATOM 607 CA ARG A 125 20.376 -2.594 -8.130 1.00 0.00 C ATOM 608 C ARG A 125 21.408 -2.365 -7.027 1.00 0.00 C ATOM 609 O ARG A 125 22.021 -1.301 -6.953 1.00 0.00 O ATOM 610 CB ARG A 125 20.911 -3.604 -9.148 1.00 0.00 C ATOM 611 CG ARG A 125 19.862 -3.889 -10.230 1.00 0.00 C ATOM 612 CD ARG A 125 18.707 -4.718 -9.653 1.00 0.00 C ATOM 613 NE ARG A 125 18.092 -5.525 -10.704 1.00 0.00 N ATOM 614 CZ ARG A 125 16.825 -5.956 -10.668 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.207 -6.092 -9.499 1.00 0.00 N ATOM 616 NH2 ARG A 125 16.183 -6.256 -11.799 1.00 0.00 N ATOM 0 H ARG A 125 20.613 -1.182 -9.651 1.00 0.00 H new ATOM 0 HA ARG A 125 19.464 -2.988 -7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.820 -3.217 -9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 125 21.180 -4.531 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.479 -2.950 -10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.323 -4.425 -11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.076 -5.364 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.962 -4.058 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 125 18.661 -5.775 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.698 -5.868 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.242 -6.420 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.658 -6.157 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.218 -6.584 -11.766 1.00 0.00 H new ATOM 630 N ILE A 126 21.597 -3.382 -6.177 1.00 0.00 N ATOM 631 CA ILE A 126 22.562 -3.329 -5.085 1.00 0.00 C ATOM 632 C ILE A 126 23.268 -4.684 -4.977 1.00 0.00 C ATOM 633 O ILE A 126 22.991 -5.594 -5.766 1.00 0.00 O ATOM 634 CB ILE A 126 21.845 -2.973 -3.769 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.666 -3.932 -3.537 1.00 0.00 C ATOM 636 CG2 ILE A 126 21.333 -1.529 -3.834 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.204 -3.854 -2.080 1.00 0.00 C ATOM 0 H ILE A 126 21.083 -4.261 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 126 23.307 -2.558 -5.282 1.00 0.00 H new ATOM 0 HB ILE A 126 22.549 -3.069 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.842 -3.675 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.964 -4.952 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.826 -1.280 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 126 22.174 -0.851 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.635 -1.428 -4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.369 -4.537 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.027 -4.133 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.887 -2.836 -1.853 1.00 0.00 H new ATOM 649 N GLY A 127 24.180 -4.819 -4.000 1.00 0.00 N ATOM 650 CA GLY A 127 24.924 -6.057 -3.789 1.00 0.00 C ATOM 651 C GLY A 127 24.055 -7.094 -3.078 1.00 0.00 C ATOM 652 O GLY A 127 24.399 -7.565 -1.993 1.00 0.00 O ATOM 0 H GLY A 127 24.416 -4.076 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.261 -6.453 -4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.816 -5.855 -3.196 1.00 0.00 H new ATOM 656 N LYS A 128 22.930 -7.441 -3.702 1.00 0.00 N ATOM 657 CA LYS A 128 21.990 -8.413 -3.167 1.00 0.00 C ATOM 658 C LYS A 128 21.121 -8.915 -4.313 1.00 0.00 C ATOM 659 O LYS A 128 20.926 -10.111 -4.464 1.00 0.00 O ATOM 660 CB LYS A 128 21.138 -7.753 -2.069 1.00 0.00 C ATOM 661 CG LYS A 128 19.982 -8.674 -1.643 1.00 0.00 C ATOM 662 CD LYS A 128 20.526 -10.015 -1.129 1.00 0.00 C ATOM 663 CE LYS A 128 19.433 -10.755 -0.347 1.00 0.00 C ATOM 664 NZ LYS A 128 18.274 -11.073 -1.205 1.00 0.00 N ATOM 0 H LYS A 128 22.647 -7.049 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 128 22.515 -9.257 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.763 -7.525 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.739 -6.806 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.392 -8.191 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 128 19.315 -8.845 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.863 -10.626 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.392 -9.845 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.842 -11.676 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.107 -10.142 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.527 -11.512 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.911 -10.199 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.567 -11.733 -1.954 1.00 0.00 H new ATOM 678 N GLN A 129 20.609 -7.985 -5.123 1.00 0.00 N ATOM 679 CA GLN A 129 19.773 -8.323 -6.262 1.00 0.00 C ATOM 680 C GLN A 129 20.628 -9.000 -7.325 1.00 0.00 C ATOM 681 O GLN A 129 20.356 -10.130 -7.714 1.00 0.00 O ATOM 682 CB GLN A 129 19.129 -7.047 -6.806 1.00 0.00 C ATOM 683 CG GLN A 129 18.411 -6.320 -5.670 1.00 0.00 C ATOM 684 CD GLN A 129 17.606 -5.142 -6.180 1.00 0.00 C ATOM 685 OE1 GLN A 129 18.055 -4.006 -6.108 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.416 -5.410 -6.692 1.00 0.00 N ATOM 0 H GLN A 129 20.765 -6.984 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 129 18.982 -9.011 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.889 -6.400 -7.244 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.423 -7.292 -7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.750 -7.016 -5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 129 19.142 -5.973 -4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.083 -6.373 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.832 -4.653 -7.047 1.00 0.00 H new ATOM 695 N CYS A 130 21.671 -8.299 -7.785 1.00 0.00 N ATOM 696 CA CYS A 130 22.597 -8.843 -8.777 1.00 0.00 C ATOM 697 C CYS A 130 23.225 -10.129 -8.239 1.00 0.00 C ATOM 698 O CYS A 130 23.329 -11.124 -8.954 1.00 0.00 O ATOM 699 CB CYS A 130 23.685 -7.810 -9.090 1.00 0.00 C ATOM 700 SG CYS A 130 22.930 -6.371 -9.883 1.00 0.00 S ATOM 0 H CYS A 130 21.893 -7.350 -7.483 1.00 0.00 H new ATOM 0 HA CYS A 130 22.055 -9.071 -9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.193 -7.510 -8.173 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.440 -8.246 -9.744 1.00 0.00 H new ATOM 0 HG CYS A 130 23.849 -5.490 -10.149 1.00 0.00 H new ATOM 706 N ARG A 131 23.639 -10.096 -6.966 1.00 0.00 N ATOM 707 CA ARG A 131 24.245 -11.241 -6.306 1.00 0.00 C ATOM 708 C ARG A 131 23.308 -12.447 -6.376 1.00 0.00 C ATOM 709 O ARG A 131 23.700 -13.513 -6.849 1.00 0.00 O ATOM 710 CB ARG A 131 24.529 -10.861 -4.847 1.00 0.00 C ATOM 711 CG ARG A 131 25.215 -12.018 -4.110 1.00 0.00 C ATOM 712 CD ARG A 131 24.964 -11.884 -2.606 1.00 0.00 C ATOM 713 NE ARG A 131 25.299 -10.533 -2.127 1.00 0.00 N ATOM 714 CZ ARG A 131 26.555 -10.122 -1.881 1.00 0.00 C ATOM 715 NH1 ARG A 131 27.590 -10.959 -2.044 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.771 -8.867 -1.471 1.00 0.00 N ATOM 0 H ARG A 131 23.560 -9.271 -6.371 1.00 0.00 H new ATOM 0 HA ARG A 131 25.176 -11.513 -6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.163 -9.975 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.596 -10.605 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.830 -12.972 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.286 -12.009 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.918 -12.100 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.560 -12.621 -2.068 1.00 0.00 H new ATOM 0 HE ARG A 131 24.537 -9.873 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 131 27.428 -11.916 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 131 28.540 -10.639 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.985 -8.229 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 131 27.721 -8.549 -1.282 1.00 0.00 H new ATOM 730 N GLU A 132 22.075 -12.271 -5.894 1.00 0.00 N ATOM 731 CA GLU A 132 21.087 -13.335 -5.865 1.00 0.00 C ATOM 732 C GLU A 132 20.796 -13.830 -7.278 1.00 0.00 C ATOM 733 O GLU A 132 20.727 -15.032 -7.502 1.00 0.00 O ATOM 734 CB GLU A 132 19.818 -12.807 -5.186 1.00 0.00 C ATOM 735 CG GLU A 132 18.832 -13.948 -4.933 1.00 0.00 C ATOM 736 CD GLU A 132 17.659 -13.458 -4.093 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.923 -13.033 -2.944 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.524 -13.512 -4.611 1.00 0.00 O ATOM 0 H GLU A 132 21.741 -11.385 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 132 21.468 -14.184 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.076 -12.326 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.352 -12.048 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.469 -14.341 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.337 -14.767 -4.421 1.00 0.00 H new ATOM 745 N ARG A 133 20.630 -12.910 -8.236 1.00 0.00 N ATOM 746 CA ARG A 133 20.355 -13.290 -9.614 1.00 0.00 C ATOM 747 C ARG A 133 21.411 -14.278 -10.096 1.00 0.00 C ATOM 748 O ARG A 133 21.107 -15.195 -10.859 1.00 0.00 O ATOM 749 CB ARG A 133 20.351 -12.041 -10.515 1.00 0.00 C ATOM 750 CG ARG A 133 19.792 -12.377 -11.906 1.00 0.00 C ATOM 751 CD ARG A 133 18.285 -12.644 -11.841 1.00 0.00 C ATOM 752 NE ARG A 133 17.750 -12.854 -13.191 1.00 0.00 N ATOM 753 CZ ARG A 133 16.599 -13.494 -13.442 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.767 -13.789 -12.443 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.287 -13.838 -14.696 1.00 0.00 N ATOM 0 H ARG A 133 20.682 -11.904 -8.077 1.00 0.00 H new ATOM 0 HA ARG A 133 19.374 -13.763 -9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.749 -11.257 -10.055 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.365 -11.651 -10.609 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.990 -11.552 -12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.303 -13.253 -12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.090 -13.521 -11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.779 -11.802 -11.368 1.00 0.00 H new ATOM 0 HE ARG A 133 18.283 -12.493 -13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.006 -13.528 -11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.892 -14.276 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.924 -13.613 -15.460 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.412 -14.325 -14.888 1.00 0.00 H new ATOM 769 N TRP A 134 22.658 -14.079 -9.658 1.00 0.00 N ATOM 770 CA TRP A 134 23.756 -14.897 -10.107 1.00 0.00 C ATOM 771 C TRP A 134 23.885 -16.201 -9.317 1.00 0.00 C ATOM 772 O TRP A 134 23.811 -17.281 -9.901 1.00 0.00 O ATOM 773 CB TRP A 134 25.054 -14.101 -10.023 1.00 0.00 C ATOM 774 CG TRP A 134 26.123 -14.725 -10.831 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.147 -15.458 -10.372 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.238 -14.742 -12.269 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.886 -15.957 -11.414 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.354 -15.550 -12.626 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.490 -14.171 -13.316 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.692 -15.802 -13.955 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.836 -14.392 -14.650 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.933 -15.213 -14.978 1.00 0.00 C ATOM 0 H TRP A 134 22.919 -13.353 -8.991 1.00 0.00 H new ATOM 0 HA TRP A 134 23.553 -15.175 -11.141 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.881 -13.082 -10.370 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.374 -14.033 -8.983 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.360 -15.631 -9.328 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.712 -16.546 -11.311 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.636 -13.553 -13.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.528 -16.443 -14.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.258 -13.930 -15.437 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.189 -15.388 -16.013 1.00 0.00 H new ATOM 793 N HIS A 135 24.108 -16.106 -8.002 1.00 0.00 N ATOM 794 CA HIS A 135 24.374 -17.281 -7.172 1.00 0.00 C ATOM 795 C HIS A 135 23.103 -18.086 -6.862 1.00 0.00 C ATOM 796 O HIS A 135 22.961 -18.611 -5.759 1.00 0.00 O ATOM 797 CB HIS A 135 25.068 -16.824 -5.886 1.00 0.00 C ATOM 798 CG HIS A 135 26.449 -16.278 -6.143 1.00 0.00 C ATOM 799 ND1 HIS A 135 27.501 -17.076 -6.582 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.984 -15.019 -6.035 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.577 -16.271 -6.701 1.00 0.00 C ATOM 802 NE2 HIS A 135 28.329 -15.000 -6.381 1.00 0.00 N ATOM 0 H HIS A 135 24.109 -15.224 -7.490 1.00 0.00 H new ATOM 0 HA HIS A 135 25.025 -17.957 -7.727 1.00 0.00 H new ATOM 0 HB2 HIS A 135 24.462 -16.059 -5.401 1.00 0.00 H new ATOM 0 HB3 HIS A 135 25.135 -17.664 -5.194 1.00 0.00 H new ATOM 0 HD1 HIS A 135 27.465 -18.077 -6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.427 -14.149 -5.719 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.546 -16.622 -7.024 1.00 0.00 H new ATOM 810 N ASN A 136 22.194 -18.205 -7.839 1.00 0.00 N ATOM 811 CA ASN A 136 20.985 -19.007 -7.688 1.00 0.00 C ATOM 812 C ASN A 136 20.600 -19.595 -9.036 1.00 0.00 C ATOM 813 O ASN A 136 20.521 -20.812 -9.187 1.00 0.00 O ATOM 814 CB ASN A 136 19.835 -18.154 -7.143 1.00 0.00 C ATOM 815 CG ASN A 136 20.029 -17.851 -5.666 1.00 0.00 C ATOM 816 OD1 ASN A 136 19.545 -18.586 -4.810 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.740 -16.771 -5.367 1.00 0.00 N ATOM 0 H ASN A 136 22.280 -17.750 -8.748 1.00 0.00 H new ATOM 0 HA ASN A 136 21.181 -19.811 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.773 -17.221 -7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.890 -18.677 -7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.904 -16.522 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 136 21.123 -16.190 -6.113 1.00 0.00 H new ATOM 824 N HIS A 137 20.349 -18.720 -10.013 1.00 0.00 N ATOM 825 CA HIS A 137 19.921 -19.145 -11.341 1.00 0.00 C ATOM 826 C HIS A 137 21.121 -19.547 -12.207 1.00 0.00 C ATOM 827 O HIS A 137 21.290 -20.726 -12.512 1.00 0.00 O ATOM 828 CB HIS A 137 19.130 -18.018 -12.009 1.00 0.00 C ATOM 829 CG HIS A 137 17.987 -17.529 -11.170 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.843 -18.281 -10.933 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.787 -16.358 -10.498 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.042 -17.529 -10.151 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.561 -16.338 -9.849 1.00 0.00 N ATOM 0 H HIS A 137 20.436 -17.710 -9.905 1.00 0.00 H new ATOM 0 HA HIS A 137 19.281 -20.021 -11.237 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.801 -17.186 -12.220 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.747 -18.369 -12.967 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.498 -15.545 -10.474 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.074 -17.859 -9.803 1.00 0.00 H new ATOM 0 HE2 HIS A 137 16.156 -15.595 -9.280 1.00 0.00 H new ATOM 841 N LEU A 138 21.939 -18.562 -12.616 1.00 0.00 N ATOM 842 CA LEU A 138 23.078 -18.806 -13.501 1.00 0.00 C ATOM 843 C LEU A 138 24.380 -18.338 -12.843 1.00 0.00 C ATOM 844 O LEU A 138 24.671 -17.150 -12.805 1.00 0.00 O ATOM 845 CB LEU A 138 22.849 -18.093 -14.849 1.00 0.00 C ATOM 846 CG LEU A 138 22.287 -16.672 -14.640 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.936 -15.713 -15.630 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.776 -16.667 -14.874 1.00 0.00 C ATOM 0 H LEU A 138 21.827 -17.586 -12.343 1.00 0.00 H new ATOM 0 HA LEU A 138 23.167 -19.877 -13.685 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.789 -18.038 -15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.157 -18.675 -15.458 1.00 0.00 H new ATOM 0 HG LEU A 138 22.502 -16.358 -13.619 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.537 -14.710 -15.480 1.00 0.00 H new ATOM 0 HD12 LEU A 138 24.014 -15.702 -15.472 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.722 -16.040 -16.647 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.388 -15.659 -14.724 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.565 -16.989 -15.894 1.00 0.00 H new ATOM 0 HD23 LEU A 138 20.297 -17.349 -14.171 1.00 0.00 H new ATOM 860 N ASN A 139 25.160 -19.300 -12.330 1.00 0.00 N ATOM 861 CA ASN A 139 26.438 -19.026 -11.675 1.00 0.00 C ATOM 862 C ASN A 139 27.646 -19.116 -12.654 1.00 0.00 C ATOM 863 O ASN A 139 28.617 -18.389 -12.464 1.00 0.00 O ATOM 864 CB ASN A 139 26.623 -20.015 -10.514 1.00 0.00 C ATOM 865 CG ASN A 139 27.499 -19.422 -9.406 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.088 -19.373 -8.250 1.00 0.00 O ATOM 867 ND2 ASN A 139 28.707 -18.976 -9.754 1.00 0.00 N ATOM 0 H ASN A 139 24.918 -20.290 -12.360 1.00 0.00 H new ATOM 0 HA ASN A 139 26.413 -18.001 -11.305 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.649 -20.284 -10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 139 27.077 -20.934 -10.886 1.00 0.00 H new ATOM 0 HD21 ASN A 139 29.326 -18.577 -9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 139 29.012 -19.034 -10.726 1.00 0.00 H new ATOM 874 N PRO A 140 27.625 -20.007 -13.684 1.00 0.00 N ATOM 875 CA PRO A 140 28.753 -20.171 -14.587 1.00 0.00 C ATOM 876 C PRO A 140 29.028 -18.891 -15.365 1.00 0.00 C ATOM 877 O PRO A 140 28.128 -18.336 -15.995 1.00 0.00 O ATOM 878 CB PRO A 140 28.381 -21.326 -15.522 1.00 0.00 C ATOM 879 CG PRO A 140 27.048 -21.884 -15.020 1.00 0.00 C ATOM 880 CD PRO A 140 26.525 -20.892 -13.984 1.00 0.00 C ATOM 0 HA PRO A 140 29.670 -20.389 -14.040 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.292 -20.978 -16.551 1.00 0.00 H new ATOM 0 HB3 PRO A 140 29.152 -22.096 -15.512 1.00 0.00 H new ATOM 0 HG2 PRO A 140 26.340 -21.996 -15.842 1.00 0.00 H new ATOM 0 HG3 PRO A 140 27.183 -22.871 -14.578 1.00 0.00 H new ATOM 0 HD2 PRO A 140 25.672 -20.335 -14.373 1.00 0.00 H new ATOM 0 HD3 PRO A 140 26.185 -21.409 -13.087 1.00 0.00 H new ATOM 888 N GLU A 141 30.285 -18.432 -15.324 1.00 0.00 N ATOM 889 CA GLU A 141 30.706 -17.231 -16.029 1.00 0.00 C ATOM 890 C GLU A 141 30.927 -17.558 -17.506 1.00 0.00 C ATOM 891 O GLU A 141 31.999 -17.326 -18.049 1.00 0.00 O ATOM 892 CB GLU A 141 31.994 -16.694 -15.387 1.00 0.00 C ATOM 893 CG GLU A 141 31.780 -16.486 -13.882 1.00 0.00 C ATOM 894 CD GLU A 141 32.994 -15.823 -13.243 1.00 0.00 C ATOM 895 OE1 GLU A 141 33.398 -14.758 -13.758 1.00 0.00 O ATOM 896 OE2 GLU A 141 33.493 -16.392 -12.248 1.00 0.00 O ATOM 0 H GLU A 141 31.032 -18.887 -14.800 1.00 0.00 H new ATOM 0 HA GLU A 141 29.935 -16.464 -15.958 1.00 0.00 H new ATOM 0 HB2 GLU A 141 32.813 -17.394 -15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.279 -15.752 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 141 30.896 -15.869 -13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 141 31.591 -17.446 -13.402 1.00 0.00 H new HETATM 903 N NH2 A 142 29.907 -18.105 -18.155 1.00 0.00 N TER 906 NH2 A 142