USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 767 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 64 GLN : amide:sc= -0.274! C(o=-0.65!,f=-14!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -154:sc= -0.38 (180deg=-2.54!) USER MOD Set 2.1: A 9 THR OG1 : rot 83:sc= 1.1 USER MOD Set 2.2: A 46 HIS : no HD1:sc= 0.987 K(o=2.1,f=-3!) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= -0.0107 (180deg=-0.193) USER MOD Single : A 8 GLN : amide:sc= 1.12 K(o=1.1,f=-0.23) USER MOD Single : A 15 GLN : amide:sc= -0.5 K(o=-0.5,f=-2.5) USER MOD Single : A 18 GLN : amide:sc= -0.994 K(o=-0.99,f=-5.4!) USER MOD Single : A 26 LYS NZ :NH3+ -139:sc= 0.137 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.21) USER MOD Single : A 44 GLN : amide:sc= 1.16 K(o=1.2,f=-0.61) USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= -0.0714 (180deg=-0.365) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.017 F(o=-1.2!,f=-0.017) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.21 (180deg=1.14) USER MOD Single : A 67 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.48) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0426 F(o=-1.2,f=-0.043) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= 1.03 (180deg=0.879) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0.894 (180deg=0.87) USER MOD Single : A 86 SER OG : rot 59:sc= 1.16 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 96 GLN : amide:sc= -0.086 K(o=-0.086,f=-0.65) USER MOD Single : A 99 GLN : amide:sc= -0.0806 K(o=-0.081,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -5.439 -4.186 -8.177 1.00 0.00 N ATOM 65 CA LYS A 5 -5.380 -3.134 -9.201 1.00 0.00 C ATOM 66 C LYS A 5 -4.909 -3.707 -10.533 1.00 0.00 C ATOM 67 O LYS A 5 -5.264 -3.207 -11.610 1.00 0.00 O ATOM 68 CB LYS A 5 -4.440 -2.004 -8.772 1.00 0.00 C ATOM 69 CG LYS A 5 -4.928 -1.192 -7.587 1.00 0.00 C ATOM 70 CD LYS A 5 -3.953 -0.068 -7.259 1.00 0.00 C ATOM 71 CE LYS A 5 -4.460 0.808 -6.124 1.00 0.00 C ATOM 72 NZ LYS A 5 -5.703 1.531 -6.488 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -6.386 -2.731 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.468 -2.431 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.290 -1.333 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.910 -0.774 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.045 -1.842 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.987 -0.493 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.793 0.544 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.645 0.190 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.689 1.529 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.892 2.273 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.590 1.964 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.500 0.863 -6.509 1.00 0.00 H new ATOM 86 N LEU A 6 -4.129 -4.769 -10.450 1.00 0.00 N ATOM 87 CA LEU A 6 -3.588 -5.410 -11.629 1.00 0.00 C ATOM 88 C LEU A 6 -4.719 -6.137 -12.340 1.00 0.00 C ATOM 89 O LEU A 6 -4.956 -5.934 -13.534 1.00 0.00 O ATOM 90 CB LEU A 6 -2.458 -6.385 -11.230 1.00 0.00 C ATOM 91 CG LEU A 6 -1.485 -6.822 -12.347 1.00 0.00 C ATOM 92 CD1 LEU A 6 -0.255 -7.480 -11.742 1.00 0.00 C ATOM 93 CD2 LEU A 6 -2.156 -7.781 -13.322 1.00 0.00 C ATOM 0 H LEU A 6 -3.856 -5.207 -9.570 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.158 -4.669 -12.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.875 -5.921 -10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.915 -7.280 -10.809 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.186 -5.930 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.424 -7.784 -12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.250 -6.772 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.556 -8.356 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.445 -8.070 -14.096 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.490 -8.670 -12.786 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.014 -7.291 -13.782 1.00 0.00 H new ATOM 105 N ARG A 7 -5.416 -6.979 -11.594 1.00 0.00 N ATOM 106 CA ARG A 7 -6.561 -7.700 -12.117 1.00 0.00 C ATOM 107 C ARG A 7 -7.686 -6.744 -12.515 1.00 0.00 C ATOM 108 O ARG A 7 -8.316 -6.927 -13.547 1.00 0.00 O ATOM 109 CB ARG A 7 -7.075 -8.714 -11.092 1.00 0.00 C ATOM 110 CG ARG A 7 -8.141 -9.650 -11.641 1.00 0.00 C ATOM 111 CD ARG A 7 -8.765 -10.493 -10.544 1.00 0.00 C ATOM 112 NE ARG A 7 -9.738 -11.450 -11.078 1.00 0.00 N ATOM 113 CZ ARG A 7 -11.062 -11.248 -11.119 1.00 0.00 C ATOM 114 NH1 ARG A 7 -11.585 -10.116 -10.672 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -11.855 -12.184 -11.614 1.00 0.00 N ATOM 0 H ARG A 7 -5.205 -7.180 -10.616 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.234 -8.233 -13.010 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.236 -9.307 -10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.482 -8.177 -10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.916 -9.067 -12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.700 -10.302 -12.395 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.982 -11.031 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.255 -9.842 -9.820 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.382 -12.333 -11.445 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.979 -9.389 -10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.594 -9.971 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.458 -13.056 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.863 -12.033 -11.647 1.00 0.00 H new ATOM 129 N GLN A 8 -7.903 -5.708 -11.708 1.00 0.00 N ATOM 130 CA GLN A 8 -8.989 -4.760 -11.957 1.00 0.00 C ATOM 131 C GLN A 8 -8.825 -4.064 -13.299 1.00 0.00 C ATOM 132 O GLN A 8 -9.776 -3.989 -14.075 1.00 0.00 O ATOM 133 CB GLN A 8 -9.062 -3.715 -10.843 1.00 0.00 C ATOM 134 CG GLN A 8 -10.152 -2.678 -11.052 1.00 0.00 C ATOM 135 CD GLN A 8 -10.092 -1.548 -10.048 1.00 0.00 C ATOM 136 OE1 GLN A 8 -9.684 -1.733 -8.905 1.00 0.00 O ATOM 137 NE2 GLN A 8 -10.482 -0.366 -10.477 1.00 0.00 N ATOM 0 H GLN A 8 -7.345 -5.503 -10.879 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.918 -5.331 -11.976 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.231 -4.221 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.100 -3.208 -10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.068 -2.268 -12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.126 -3.164 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.814 -0.255 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.452 0.439 -9.851 1.00 0.00 H new ATOM 146 N THR A 9 -7.624 -3.570 -13.592 1.00 0.00 N ATOM 147 CA THR A 9 -7.368 -2.956 -14.885 1.00 0.00 C ATOM 148 C THR A 9 -7.497 -3.975 -16.015 1.00 0.00 C ATOM 149 O THR A 9 -7.755 -3.615 -17.162 1.00 0.00 O ATOM 150 CB THR A 9 -5.972 -2.300 -14.922 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.984 -3.221 -14.427 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.950 -1.030 -14.083 1.00 0.00 C ATOM 0 H THR A 9 -6.825 -3.584 -12.958 1.00 0.00 H new ATOM 0 HA THR A 9 -8.120 -2.181 -15.031 1.00 0.00 H new ATOM 0 HB THR A 9 -5.743 -2.040 -15.956 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.712 -3.828 -15.147 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.956 -0.584 -14.124 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.681 -0.323 -14.474 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.197 -1.272 -13.049 1.00 0.00 H new ATOM 160 N GLY A 10 -7.336 -5.245 -15.676 1.00 0.00 N ATOM 161 CA GLY A 10 -7.506 -6.291 -16.650 1.00 0.00 C ATOM 162 C GLY A 10 -8.974 -6.534 -16.913 1.00 0.00 C ATOM 163 O GLY A 10 -9.407 -6.590 -18.060 1.00 0.00 O ATOM 0 H GLY A 10 -7.090 -5.566 -14.740 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.004 -6.017 -17.578 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.037 -7.208 -16.293 1.00 0.00 H new ATOM 167 N ASP A 11 -9.741 -6.672 -15.832 1.00 0.00 N ATOM 168 CA ASP A 11 -11.188 -6.856 -15.920 1.00 0.00 C ATOM 169 C ASP A 11 -11.838 -5.691 -16.636 1.00 0.00 C ATOM 170 O ASP A 11 -12.690 -5.888 -17.500 1.00 0.00 O ATOM 171 CB ASP A 11 -11.817 -7.017 -14.532 1.00 0.00 C ATOM 172 CG ASP A 11 -11.425 -8.306 -13.851 1.00 0.00 C ATOM 173 OD1 ASP A 11 -11.753 -9.393 -14.389 1.00 0.00 O ATOM 174 OD2 ASP A 11 -10.804 -8.241 -12.777 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.380 -6.660 -14.878 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.362 -7.769 -16.490 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.519 -6.177 -13.905 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.902 -6.977 -14.624 1.00 0.00 H new ATOM 179 N GLU A 12 -11.432 -4.473 -16.278 1.00 0.00 N ATOM 180 CA GLU A 12 -11.973 -3.275 -16.907 1.00 0.00 C ATOM 181 C GLU A 12 -11.654 -3.252 -18.393 1.00 0.00 C ATOM 182 O GLU A 12 -12.493 -2.866 -19.209 1.00 0.00 O ATOM 183 CB GLU A 12 -11.459 -2.006 -16.227 1.00 0.00 C ATOM 184 CG GLU A 12 -12.019 -1.791 -14.830 1.00 0.00 C ATOM 185 CD GLU A 12 -11.695 -0.422 -14.277 1.00 0.00 C ATOM 186 OE1 GLU A 12 -12.051 0.577 -14.925 1.00 0.00 O ATOM 187 OE2 GLU A 12 -11.100 -0.336 -13.178 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.732 -4.293 -15.558 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.056 -3.302 -16.788 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.371 -2.050 -16.170 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.711 -1.145 -16.846 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.101 -1.923 -14.852 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.619 -2.553 -14.161 1.00 0.00 H new ATOM 194 N LEU A 13 -10.440 -3.667 -18.745 1.00 0.00 N ATOM 195 CA LEU A 13 -10.042 -3.768 -20.143 1.00 0.00 C ATOM 196 C LEU A 13 -10.957 -4.741 -20.878 1.00 0.00 C ATOM 197 O LEU A 13 -11.342 -4.501 -22.022 1.00 0.00 O ATOM 198 CB LEU A 13 -8.584 -4.238 -20.237 1.00 0.00 C ATOM 199 CG LEU A 13 -8.002 -4.357 -21.645 1.00 0.00 C ATOM 200 CD1 LEU A 13 -7.977 -3.003 -22.329 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.604 -4.956 -21.593 1.00 0.00 C ATOM 0 H LEU A 13 -9.716 -3.938 -18.080 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.128 -2.787 -20.610 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.964 -3.546 -19.667 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.506 -5.210 -19.751 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.641 -5.022 -22.227 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.559 -3.109 -23.330 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.992 -2.612 -22.399 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.362 -2.314 -21.750 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.204 -5.034 -22.604 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.956 -4.316 -20.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.650 -5.948 -21.143 1.00 0.00 H new ATOM 213 N VAL A 14 -11.321 -5.823 -20.209 1.00 0.00 N ATOM 214 CA VAL A 14 -12.245 -6.791 -20.775 1.00 0.00 C ATOM 215 C VAL A 14 -13.627 -6.160 -20.925 1.00 0.00 C ATOM 216 O VAL A 14 -14.294 -6.343 -21.933 1.00 0.00 O ATOM 217 CB VAL A 14 -12.348 -8.059 -19.900 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.323 -9.060 -20.504 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.983 -8.691 -19.719 1.00 0.00 C ATOM 0 H VAL A 14 -10.990 -6.053 -19.272 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.862 -7.085 -21.752 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.727 -7.765 -18.921 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.377 -9.944 -19.869 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.311 -8.606 -20.579 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.980 -9.348 -21.498 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.074 -9.583 -19.100 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.577 -8.965 -20.693 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.314 -7.980 -19.234 1.00 0.00 H new ATOM 229 N GLN A 15 -14.035 -5.394 -19.916 1.00 0.00 N ATOM 230 CA GLN A 15 -15.319 -4.694 -19.944 1.00 0.00 C ATOM 231 C GLN A 15 -15.368 -3.709 -21.115 1.00 0.00 C ATOM 232 O GLN A 15 -16.401 -3.547 -21.765 1.00 0.00 O ATOM 233 CB GLN A 15 -15.561 -3.962 -18.624 1.00 0.00 C ATOM 234 CG GLN A 15 -15.627 -4.883 -17.415 1.00 0.00 C ATOM 235 CD GLN A 15 -15.719 -4.126 -16.104 1.00 0.00 C ATOM 236 OE1 GLN A 15 -15.228 -3.000 -15.984 1.00 0.00 O ATOM 237 NE2 GLN A 15 -16.329 -4.739 -15.111 1.00 0.00 N ATOM 0 H GLN A 15 -13.493 -5.241 -19.065 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.109 -5.433 -20.079 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.764 -3.234 -18.472 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.494 -3.403 -18.695 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.491 -5.540 -17.511 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.742 -5.520 -17.400 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.722 -5.670 -15.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.409 -4.283 -14.202 1.00 0.00 H new ATOM 246 N ALA A 16 -14.245 -3.048 -21.381 1.00 0.00 N ATOM 247 CA ALA A 16 -14.143 -2.135 -22.511 1.00 0.00 C ATOM 248 C ALA A 16 -14.176 -2.919 -23.811 1.00 0.00 C ATOM 249 O ALA A 16 -14.741 -2.475 -24.807 1.00 0.00 O ATOM 250 CB ALA A 16 -12.867 -1.312 -22.416 1.00 0.00 C ATOM 0 H ALA A 16 -13.392 -3.129 -20.827 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.991 -1.451 -22.491 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.806 -0.635 -23.268 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.875 -0.733 -21.492 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.004 -1.977 -22.419 1.00 0.00 H new ATOM 256 N PHE A 17 -13.579 -4.098 -23.779 1.00 0.00 N ATOM 257 CA PHE A 17 -13.542 -4.975 -24.933 1.00 0.00 C ATOM 258 C PHE A 17 -14.944 -5.478 -25.250 1.00 0.00 C ATOM 259 O PHE A 17 -15.325 -5.591 -26.413 1.00 0.00 O ATOM 260 CB PHE A 17 -12.594 -6.151 -24.700 1.00 0.00 C ATOM 261 CG PHE A 17 -12.543 -7.107 -25.855 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.877 -6.767 -27.019 1.00 0.00 C ATOM 263 CD2 PHE A 17 -13.168 -8.341 -25.779 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.834 -7.638 -28.084 1.00 0.00 C ATOM 265 CE2 PHE A 17 -13.127 -9.217 -26.841 1.00 0.00 C ATOM 266 CZ PHE A 17 -12.459 -8.865 -27.997 1.00 0.00 C ATOM 0 H PHE A 17 -13.108 -4.472 -22.955 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.167 -4.406 -25.784 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.591 -5.769 -24.509 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.906 -6.689 -23.805 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.386 -5.808 -27.093 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.693 -8.619 -24.877 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.311 -7.361 -28.988 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.616 -10.177 -26.770 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.426 -9.549 -28.832 1.00 0.00 H new ATOM 276 N GLN A 18 -15.711 -5.769 -24.205 1.00 0.00 N ATOM 277 CA GLN A 18 -17.079 -6.231 -24.367 1.00 0.00 C ATOM 278 C GLN A 18 -17.908 -5.138 -25.019 1.00 0.00 C ATOM 279 O GLN A 18 -18.766 -5.409 -25.861 1.00 0.00 O ATOM 280 CB GLN A 18 -17.679 -6.623 -23.014 1.00 0.00 C ATOM 281 CG GLN A 18 -17.022 -7.840 -22.370 1.00 0.00 C ATOM 282 CD GLN A 18 -17.345 -9.142 -23.086 1.00 0.00 C ATOM 283 OE1 GLN A 18 -17.581 -9.169 -24.297 1.00 0.00 O ATOM 284 NE2 GLN A 18 -17.363 -10.230 -22.344 1.00 0.00 N ATOM 0 H GLN A 18 -15.405 -5.692 -23.235 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.083 -7.114 -25.006 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.596 -5.776 -22.333 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.742 -6.824 -23.145 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.941 -7.698 -22.357 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.346 -7.913 -21.332 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.163 -10.170 -21.346 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.577 -11.133 -22.768 1.00 0.00 H new ATOM 293 N ARG A 19 -17.621 -3.892 -24.643 1.00 0.00 N ATOM 294 CA ARG A 19 -18.280 -2.738 -25.230 1.00 0.00 C ATOM 295 C ARG A 19 -17.920 -2.630 -26.705 1.00 0.00 C ATOM 296 O ARG A 19 -18.769 -2.346 -27.541 1.00 0.00 O ATOM 297 CB ARG A 19 -17.867 -1.452 -24.492 1.00 0.00 C ATOM 298 CG ARG A 19 -18.592 -1.229 -23.174 1.00 0.00 C ATOM 299 CD ARG A 19 -18.057 -0.007 -22.426 1.00 0.00 C ATOM 300 NE ARG A 19 -16.897 -0.329 -21.578 1.00 0.00 N ATOM 301 CZ ARG A 19 -16.070 0.588 -21.036 1.00 0.00 C ATOM 302 NH1 ARG A 19 -16.221 1.880 -21.317 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -15.092 0.205 -20.219 1.00 0.00 N ATOM 0 H ARG A 19 -16.930 -3.661 -23.929 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.358 -2.864 -25.134 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.794 -1.484 -24.303 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.050 -0.598 -25.144 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.658 -1.100 -23.364 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.484 -2.114 -22.547 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -17.775 0.761 -23.146 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -18.850 0.412 -21.807 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.706 -1.313 -21.388 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.966 2.182 -21.946 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.592 2.569 -20.904 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.967 -0.784 -20.002 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.468 0.900 -19.810 1.00 0.00 H new ATOM 317 N LEU A 20 -16.661 -2.910 -27.012 1.00 0.00 N ATOM 318 CA LEU A 20 -16.166 -2.839 -28.379 1.00 0.00 C ATOM 319 C LEU A 20 -16.803 -3.934 -29.223 1.00 0.00 C ATOM 320 O LEU A 20 -17.144 -3.723 -30.383 1.00 0.00 O ATOM 321 CB LEU A 20 -14.642 -2.990 -28.401 1.00 0.00 C ATOM 322 CG LEU A 20 -13.987 -2.936 -29.783 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.128 -1.550 -30.388 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.525 -3.345 -29.702 1.00 0.00 C ATOM 0 H LEU A 20 -15.959 -3.190 -26.327 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.431 -1.867 -28.794 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.209 -2.203 -27.784 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.383 -3.940 -27.934 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.500 -3.644 -30.433 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.656 -1.532 -31.370 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.185 -1.303 -30.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.645 -0.819 -29.740 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.079 -3.300 -30.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.994 -2.667 -29.034 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.453 -4.363 -29.318 1.00 0.00 H new ATOM 336 N ARG A 21 -16.965 -5.097 -28.616 1.00 0.00 N ATOM 337 CA ARG A 21 -17.553 -6.251 -29.275 1.00 0.00 C ATOM 338 C ARG A 21 -18.990 -5.935 -29.701 1.00 0.00 C ATOM 339 O ARG A 21 -19.380 -6.192 -30.839 1.00 0.00 O ATOM 340 CB ARG A 21 -17.532 -7.432 -28.297 1.00 0.00 C ATOM 341 CG ARG A 21 -17.169 -8.784 -28.901 1.00 0.00 C ATOM 342 CD ARG A 21 -18.352 -9.464 -29.578 1.00 0.00 C ATOM 343 NE ARG A 21 -18.564 -9.015 -30.952 1.00 0.00 N ATOM 344 CZ ARG A 21 -18.006 -9.595 -32.023 1.00 0.00 C ATOM 345 NH1 ARG A 21 -17.116 -10.576 -31.878 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.340 -9.192 -33.233 1.00 0.00 N ATOM 0 H ARG A 21 -16.691 -5.268 -27.648 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.982 -6.504 -30.168 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.822 -7.208 -27.501 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.515 -7.514 -27.834 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.368 -8.649 -29.628 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.781 -9.435 -28.117 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.193 -10.542 -29.575 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.254 -9.273 -28.997 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.174 -8.212 -31.105 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.853 -10.892 -30.945 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.697 -11.011 -32.700 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.021 -8.442 -33.351 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.918 -9.631 -34.051 1.00 0.00 H new ATOM 360 N GLU A 22 -19.759 -5.369 -28.780 1.00 0.00 N ATOM 361 CA GLU A 22 -21.140 -4.985 -29.070 1.00 0.00 C ATOM 362 C GLU A 22 -21.202 -3.855 -30.091 1.00 0.00 C ATOM 363 O GLU A 22 -21.882 -3.968 -31.104 1.00 0.00 O ATOM 364 CB GLU A 22 -21.856 -4.552 -27.794 1.00 0.00 C ATOM 365 CG GLU A 22 -22.063 -5.661 -26.785 1.00 0.00 C ATOM 366 CD GLU A 22 -22.915 -5.217 -25.623 1.00 0.00 C ATOM 367 OE1 GLU A 22 -24.095 -4.880 -25.846 1.00 0.00 O ATOM 368 OE2 GLU A 22 -22.419 -5.217 -24.479 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.454 -5.165 -27.828 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.638 -5.860 -29.488 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.283 -3.752 -27.324 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.827 -4.134 -28.061 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.534 -6.513 -27.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -21.095 -6.000 -26.416 1.00 0.00 H new ATOM 375 N ILE A 23 -20.482 -2.775 -29.824 1.00 0.00 N ATOM 376 CA ILE A 23 -20.439 -1.612 -30.712 1.00 0.00 C ATOM 377 C ILE A 23 -20.021 -1.962 -32.140 1.00 0.00 C ATOM 378 O ILE A 23 -20.517 -1.362 -33.099 1.00 0.00 O ATOM 379 CB ILE A 23 -19.524 -0.515 -30.136 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.115 0.012 -28.833 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.339 0.617 -31.130 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.192 0.927 -28.081 1.00 0.00 C ATOM 0 H ILE A 23 -19.909 -2.676 -28.986 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.459 -1.233 -30.768 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.543 -0.948 -29.937 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.041 0.544 -29.053 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.376 -0.832 -28.195 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.689 1.378 -30.698 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.887 0.229 -32.043 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.308 1.058 -31.364 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.679 1.263 -27.165 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.275 0.393 -27.830 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -18.951 1.790 -28.701 1.00 0.00 H new ATOM 394 N PHE A 24 -19.142 -2.937 -32.284 1.00 0.00 N ATOM 395 CA PHE A 24 -18.665 -3.318 -33.604 1.00 0.00 C ATOM 396 C PHE A 24 -19.834 -3.858 -34.424 1.00 0.00 C ATOM 397 O PHE A 24 -20.009 -3.514 -35.595 1.00 0.00 O ATOM 398 CB PHE A 24 -17.563 -4.376 -33.503 1.00 0.00 C ATOM 399 CG PHE A 24 -17.037 -4.822 -34.839 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.102 -4.060 -35.516 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.483 -6.002 -35.420 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.620 -4.462 -36.743 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.003 -6.410 -36.648 1.00 0.00 C ATOM 404 CZ PHE A 24 -16.071 -5.639 -37.311 1.00 0.00 C ATOM 0 H PHE A 24 -18.746 -3.475 -31.513 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.245 -2.439 -34.094 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.739 -3.976 -32.912 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.950 -5.242 -32.966 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.746 -3.139 -35.078 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.214 -6.607 -34.905 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.890 -3.858 -37.261 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.356 -7.331 -37.089 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.694 -5.954 -38.273 1.00 0.00 H new ATOM 414 N ASP A 25 -20.637 -4.694 -33.781 1.00 0.00 N ATOM 415 CA ASP A 25 -21.818 -5.288 -34.401 1.00 0.00 C ATOM 416 C ASP A 25 -22.932 -4.268 -34.570 1.00 0.00 C ATOM 417 O ASP A 25 -23.817 -4.436 -35.410 1.00 0.00 O ATOM 418 CB ASP A 25 -22.327 -6.464 -33.567 1.00 0.00 C ATOM 419 CG ASP A 25 -21.490 -7.707 -33.736 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.628 -7.963 -32.877 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.701 -8.447 -34.723 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.490 -4.981 -32.813 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.523 -5.643 -35.388 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.338 -6.179 -32.515 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.357 -6.684 -33.848 1.00 0.00 H new ATOM 426 N LYS A 26 -22.876 -3.200 -33.790 1.00 0.00 N ATOM 427 CA LYS A 26 -23.915 -2.183 -33.809 1.00 0.00 C ATOM 428 C LYS A 26 -23.596 -1.088 -34.818 1.00 0.00 C ATOM 429 O LYS A 26 -24.458 -0.275 -35.156 1.00 0.00 O ATOM 430 CB LYS A 26 -24.105 -1.588 -32.408 1.00 0.00 C ATOM 431 CG LYS A 26 -24.610 -2.596 -31.388 1.00 0.00 C ATOM 432 CD LYS A 26 -24.727 -1.996 -29.997 1.00 0.00 C ATOM 433 CE LYS A 26 -25.201 -3.041 -28.996 1.00 0.00 C ATOM 434 NZ LYS A 26 -25.335 -2.492 -27.625 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.118 -3.015 -33.133 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.847 -2.658 -34.116 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.156 -1.178 -32.064 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.808 -0.757 -32.466 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.584 -2.972 -31.703 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.933 -3.450 -31.358 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.761 -1.599 -29.685 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -25.425 -1.159 -30.014 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -26.162 -3.440 -29.320 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.498 -3.874 -28.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -24.977 -3.185 -26.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.786 -1.612 -27.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.336 -2.293 -27.427 1.00 0.00 H new ATOM 448 N GLY A 27 -22.356 -1.072 -35.300 1.00 0.00 N ATOM 449 CA GLY A 27 -21.945 -0.084 -36.285 1.00 0.00 C ATOM 450 C GLY A 27 -21.975 1.336 -35.753 1.00 0.00 C ATOM 451 O GLY A 27 -22.191 2.283 -36.509 1.00 0.00 O ATOM 0 H GLY A 27 -21.625 -1.728 -35.025 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.936 -0.317 -36.625 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.598 -0.153 -37.155 1.00 0.00 H new ATOM 455 N ASP A 28 -21.774 1.494 -34.455 1.00 0.00 N ATOM 456 CA ASP A 28 -21.807 2.819 -33.853 1.00 0.00 C ATOM 457 C ASP A 28 -20.399 3.397 -33.746 1.00 0.00 C ATOM 458 O ASP A 28 -19.752 3.308 -32.702 1.00 0.00 O ATOM 459 CB ASP A 28 -22.482 2.788 -32.482 1.00 0.00 C ATOM 460 CG ASP A 28 -22.818 4.175 -31.972 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.899 4.932 -31.629 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.013 4.511 -31.911 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.588 0.732 -33.803 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.398 3.466 -34.502 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.395 2.195 -32.543 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.826 2.290 -31.768 1.00 0.00 H new ATOM 467 N ASP A 29 -19.917 3.937 -34.855 1.00 0.00 N ATOM 468 CA ASP A 29 -18.582 4.555 -34.928 1.00 0.00 C ATOM 469 C ASP A 29 -18.378 5.631 -33.863 1.00 0.00 C ATOM 470 O ASP A 29 -17.255 5.840 -33.400 1.00 0.00 O ATOM 471 CB ASP A 29 -18.358 5.174 -36.314 1.00 0.00 C ATOM 472 CG ASP A 29 -18.453 4.169 -37.443 1.00 0.00 C ATOM 473 OD1 ASP A 29 -19.580 3.737 -37.764 1.00 0.00 O ATOM 474 OD2 ASP A 29 -17.406 3.822 -38.029 1.00 0.00 O1- ATOM 0 H ASP A 29 -20.432 3.964 -35.735 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.858 3.760 -34.747 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.094 5.962 -36.475 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.376 5.646 -36.339 1.00 0.00 H new ATOM 479 N ASP A 30 -19.456 6.296 -33.459 1.00 0.00 N ATOM 480 CA ASP A 30 -19.359 7.356 -32.451 1.00 0.00 C ATOM 481 C ASP A 30 -18.882 6.798 -31.127 1.00 0.00 C ATOM 482 O ASP A 30 -17.933 7.312 -30.523 1.00 0.00 O ATOM 483 CB ASP A 30 -20.712 8.032 -32.236 1.00 0.00 C ATOM 484 CG ASP A 30 -21.198 8.785 -33.437 1.00 0.00 C ATOM 485 OD1 ASP A 30 -20.743 9.926 -33.649 1.00 0.00 O ATOM 486 OD2 ASP A 30 -22.053 8.249 -34.171 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.399 6.125 -33.807 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.641 8.088 -32.821 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.449 7.275 -31.968 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.637 8.718 -31.392 1.00 0.00 H new ATOM 491 N SER A 31 -19.526 5.740 -30.684 1.00 0.00 N ATOM 492 CA SER A 31 -19.193 5.113 -29.436 1.00 0.00 C ATOM 493 C SER A 31 -17.908 4.300 -29.584 1.00 0.00 C ATOM 494 O SER A 31 -17.116 4.193 -28.652 1.00 0.00 O ATOM 495 CB SER A 31 -20.358 4.226 -28.985 1.00 0.00 C ATOM 496 OG SER A 31 -20.250 3.866 -27.621 1.00 0.00 O ATOM 0 H SER A 31 -20.295 5.294 -31.184 1.00 0.00 H new ATOM 0 HA SER A 31 -19.022 5.876 -28.676 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.299 4.752 -29.148 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.386 3.325 -29.597 1.00 0.00 H new ATOM 0 HG SER A 31 -21.011 3.302 -27.370 1.00 0.00 H new ATOM 502 N LEU A 32 -17.707 3.741 -30.778 1.00 0.00 N ATOM 503 CA LEU A 32 -16.529 2.926 -31.072 1.00 0.00 C ATOM 504 C LEU A 32 -15.243 3.732 -30.862 1.00 0.00 C ATOM 505 O LEU A 32 -14.321 3.262 -30.193 1.00 0.00 O ATOM 506 CB LEU A 32 -16.620 2.418 -32.525 1.00 0.00 C ATOM 507 CG LEU A 32 -15.996 1.047 -32.826 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.464 0.543 -34.181 1.00 0.00 C ATOM 509 CD2 LEU A 32 -14.483 1.119 -32.798 1.00 0.00 C ATOM 0 H LEU A 32 -18.351 3.840 -31.563 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.501 2.076 -30.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.673 2.380 -32.805 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.145 3.156 -33.172 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.321 0.352 -32.052 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.015 -0.429 -34.383 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.550 0.448 -34.178 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.164 1.249 -34.955 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.068 0.135 -33.014 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.139 1.831 -33.548 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.152 1.443 -31.811 1.00 0.00 H new ATOM 521 N GLU A 33 -15.191 4.944 -31.406 1.00 0.00 N ATOM 522 CA GLU A 33 -14.031 5.814 -31.203 1.00 0.00 C ATOM 523 C GLU A 33 -13.836 6.123 -29.723 1.00 0.00 C ATOM 524 O GLU A 33 -12.707 6.134 -29.219 1.00 0.00 O ATOM 525 CB GLU A 33 -14.182 7.118 -31.991 1.00 0.00 C ATOM 526 CG GLU A 33 -13.893 6.987 -33.477 1.00 0.00 C ATOM 527 CD GLU A 33 -12.436 6.659 -33.767 1.00 0.00 C ATOM 528 OE1 GLU A 33 -12.129 6.272 -34.904 1.00 0.00 O ATOM 529 OE2 GLU A 33 -11.587 6.789 -32.851 1.00 0.00 O1- ATOM 0 H GLU A 33 -15.928 5.345 -31.985 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.152 5.284 -31.569 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.198 7.491 -31.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.511 7.865 -31.567 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.527 6.207 -33.899 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.158 7.918 -33.978 1.00 0.00 H new ATOM 536 N GLN A 34 -14.942 6.355 -29.032 1.00 0.00 N ATOM 537 CA GLN A 34 -14.914 6.671 -27.615 1.00 0.00 C ATOM 538 C GLN A 34 -14.375 5.491 -26.799 1.00 0.00 C ATOM 539 O GLN A 34 -13.534 5.667 -25.916 1.00 0.00 O ATOM 540 CB GLN A 34 -16.315 7.059 -27.130 1.00 0.00 C ATOM 541 CG GLN A 34 -16.340 7.658 -25.735 1.00 0.00 C ATOM 542 CD GLN A 34 -15.472 8.895 -25.632 1.00 0.00 C ATOM 543 OE1 GLN A 34 -15.930 10.013 -25.877 1.00 0.00 O ATOM 544 NE2 GLN A 34 -14.217 8.704 -25.267 1.00 0.00 N ATOM 0 H GLN A 34 -15.878 6.329 -29.436 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.243 7.518 -27.469 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.746 7.775 -27.830 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.952 6.175 -27.146 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.366 7.912 -25.468 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.998 6.914 -25.015 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.880 7.761 -25.074 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.585 9.500 -25.178 1.00 0.00 H new ATOM 553 N VAL A 35 -14.854 4.294 -27.108 1.00 0.00 N ATOM 554 CA VAL A 35 -14.431 3.084 -26.417 1.00 0.00 C ATOM 555 C VAL A 35 -12.971 2.740 -26.707 1.00 0.00 C ATOM 556 O VAL A 35 -12.271 2.222 -25.839 1.00 0.00 O ATOM 557 CB VAL A 35 -15.361 1.889 -26.752 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.772 0.568 -26.275 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.719 2.111 -26.116 1.00 0.00 C ATOM 0 H VAL A 35 -15.544 4.135 -27.842 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.510 3.284 -25.348 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.464 1.832 -27.836 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.452 -0.246 -26.527 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.811 0.402 -26.761 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.631 0.601 -25.195 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.373 1.271 -26.351 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.606 2.191 -25.035 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.156 3.031 -26.504 1.00 0.00 H new ATOM 569 N LEU A 36 -12.505 3.029 -27.917 1.00 0.00 N ATOM 570 CA LEU A 36 -11.108 2.775 -28.258 1.00 0.00 C ATOM 571 C LEU A 36 -10.187 3.563 -27.332 1.00 0.00 C ATOM 572 O LEU A 36 -9.108 3.088 -26.965 1.00 0.00 O ATOM 573 CB LEU A 36 -10.829 3.127 -29.722 1.00 0.00 C ATOM 574 CG LEU A 36 -11.482 2.208 -30.759 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.294 2.762 -32.156 1.00 0.00 C ATOM 576 CD2 LEU A 36 -10.906 0.803 -30.670 1.00 0.00 C ATOM 0 H LEU A 36 -13.063 3.433 -28.669 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.911 1.711 -28.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.167 4.147 -29.903 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.751 3.116 -29.881 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.550 2.160 -30.544 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.765 2.095 -32.878 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.752 3.749 -32.221 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.229 2.841 -32.376 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.383 0.166 -31.415 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.833 0.837 -30.856 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.089 0.397 -29.675 1.00 0.00 H new ATOM 588 N GLU A 37 -10.627 4.760 -26.942 1.00 0.00 N ATOM 589 CA GLU A 37 -9.883 5.572 -25.987 1.00 0.00 C ATOM 590 C GLU A 37 -9.840 4.869 -24.636 1.00 0.00 C ATOM 591 O GLU A 37 -8.820 4.874 -23.950 1.00 0.00 O ATOM 592 CB GLU A 37 -10.532 6.943 -25.812 1.00 0.00 C ATOM 593 CG GLU A 37 -10.589 7.782 -27.072 1.00 0.00 C ATOM 594 CD GLU A 37 -11.177 9.155 -26.818 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.406 9.897 -27.795 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.407 9.504 -25.637 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.493 5.185 -27.273 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.872 5.706 -26.373 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.546 6.805 -25.438 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.983 7.495 -25.049 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.584 7.889 -27.481 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.186 7.266 -27.824 1.00 0.00 H new ATOM 603 N GLU A 38 -10.959 4.248 -24.275 1.00 0.00 N ATOM 604 CA GLU A 38 -11.086 3.531 -23.015 1.00 0.00 C ATOM 605 C GLU A 38 -10.138 2.353 -22.981 1.00 0.00 C ATOM 606 O GLU A 38 -9.430 2.138 -22.001 1.00 0.00 O ATOM 607 CB GLU A 38 -12.519 3.018 -22.865 1.00 0.00 C ATOM 608 CG GLU A 38 -13.560 4.107 -22.740 1.00 0.00 C ATOM 609 CD GLU A 38 -13.623 4.670 -21.350 1.00 0.00 C ATOM 610 OE1 GLU A 38 -12.828 5.574 -21.027 1.00 0.00 O ATOM 611 OE2 GLU A 38 -14.474 4.203 -20.563 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.802 4.229 -24.849 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.842 4.211 -22.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.762 2.397 -23.727 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.573 2.377 -21.985 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.334 4.907 -23.445 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.537 3.708 -23.014 1.00 0.00 H new ATOM 618 N ILE A 39 -10.112 1.609 -24.073 1.00 0.00 N ATOM 619 CA ILE A 39 -9.283 0.426 -24.164 1.00 0.00 C ATOM 620 C ILE A 39 -7.810 0.799 -24.098 1.00 0.00 C ATOM 621 O ILE A 39 -7.060 0.232 -23.309 1.00 0.00 O ATOM 622 CB ILE A 39 -9.561 -0.357 -25.469 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.020 -0.815 -25.507 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.625 -1.556 -25.583 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.409 -1.517 -26.787 1.00 0.00 C ATOM 0 H ILE A 39 -10.659 1.807 -24.911 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.531 -0.213 -23.317 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.378 0.303 -26.317 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.202 -1.485 -24.667 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.666 0.052 -25.369 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.835 -2.095 -26.507 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.591 -1.211 -25.591 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.779 -2.220 -24.733 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.457 -1.811 -26.737 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.261 -0.843 -27.631 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.790 -2.404 -26.918 1.00 0.00 H new ATOM 637 N GLU A 40 -7.409 1.777 -24.906 1.00 0.00 N ATOM 638 CA GLU A 40 -6.035 2.241 -24.925 1.00 0.00 C ATOM 639 C GLU A 40 -5.581 2.706 -23.540 1.00 0.00 C ATOM 640 O GLU A 40 -4.500 2.336 -23.083 1.00 0.00 O ATOM 641 CB GLU A 40 -5.890 3.373 -25.942 1.00 0.00 C ATOM 642 CG GLU A 40 -4.473 3.877 -26.113 1.00 0.00 C ATOM 643 CD GLU A 40 -3.529 2.810 -26.627 1.00 0.00 C ATOM 644 OE1 GLU A 40 -3.458 2.619 -27.863 1.00 0.00 O ATOM 645 OE2 GLU A 40 -2.847 2.171 -25.807 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.025 2.263 -25.558 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.396 1.408 -25.216 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.260 3.028 -26.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.525 4.205 -25.636 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.473 4.720 -26.804 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.107 4.250 -25.156 1.00 0.00 H new ATOM 652 N GLU A 41 -6.418 3.481 -22.858 1.00 0.00 N ATOM 653 CA GLU A 41 -6.068 3.974 -21.537 1.00 0.00 C ATOM 654 C GLU A 41 -5.930 2.838 -20.543 1.00 0.00 C ATOM 655 O GLU A 41 -4.983 2.807 -19.757 1.00 0.00 O ATOM 656 CB GLU A 41 -7.084 4.999 -21.038 1.00 0.00 C ATOM 657 CG GLU A 41 -6.870 6.388 -21.609 1.00 0.00 C ATOM 658 CD GLU A 41 -5.498 6.936 -21.272 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.321 7.470 -20.157 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.588 6.832 -22.113 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.334 3.777 -23.196 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.101 4.469 -21.624 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.087 4.659 -21.295 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.033 5.050 -19.950 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.992 6.357 -22.692 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.634 7.061 -21.221 1.00 0.00 H new ATOM 667 N LEU A 42 -6.861 1.895 -20.579 1.00 0.00 N ATOM 668 CA LEU A 42 -6.824 0.755 -19.683 1.00 0.00 C ATOM 669 C LEU A 42 -5.596 -0.110 -19.932 1.00 0.00 C ATOM 670 O LEU A 42 -5.027 -0.656 -18.994 1.00 0.00 O ATOM 671 CB LEU A 42 -8.107 -0.065 -19.799 1.00 0.00 C ATOM 672 CG LEU A 42 -9.386 0.655 -19.354 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.607 -0.183 -19.665 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.331 0.985 -17.868 1.00 0.00 C ATOM 0 H LEU A 42 -7.652 1.900 -21.222 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.754 1.134 -18.664 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.227 -0.377 -20.837 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.994 -0.972 -19.205 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.459 1.590 -19.910 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.503 0.346 -19.341 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.660 -0.364 -20.739 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.538 -1.135 -19.139 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.248 1.495 -17.574 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.229 0.064 -17.294 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.477 1.632 -17.670 1.00 0.00 H new ATOM 686 N ILE A 43 -5.187 -0.234 -21.196 1.00 0.00 N ATOM 687 CA ILE A 43 -3.987 -1.002 -21.527 1.00 0.00 C ATOM 688 C ILE A 43 -2.776 -0.371 -20.854 1.00 0.00 C ATOM 689 O ILE A 43 -1.976 -1.058 -20.216 1.00 0.00 O ATOM 690 CB ILE A 43 -3.731 -1.063 -23.062 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.865 -1.801 -23.776 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.391 -1.737 -23.357 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.726 -1.818 -25.286 1.00 0.00 C ATOM 0 H ILE A 43 -5.662 0.182 -21.997 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.145 -2.019 -21.169 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.697 -0.041 -23.439 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.904 -2.828 -23.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.814 -1.333 -23.513 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.230 -1.770 -24.435 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.587 -1.170 -22.887 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.399 -2.752 -22.960 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.566 -2.358 -25.723 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.718 -0.795 -25.662 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.794 -2.313 -25.560 1.00 0.00 H new ATOM 705 N GLN A 44 -2.674 0.948 -20.974 1.00 0.00 N ATOM 706 CA GLN A 44 -1.573 1.703 -20.385 1.00 0.00 C ATOM 707 C GLN A 44 -1.577 1.561 -18.863 1.00 0.00 C ATOM 708 O GLN A 44 -0.544 1.319 -18.251 1.00 0.00 O ATOM 709 CB GLN A 44 -1.702 3.183 -20.756 1.00 0.00 C ATOM 710 CG GLN A 44 -1.784 3.445 -22.252 1.00 0.00 C ATOM 711 CD GLN A 44 -0.524 3.056 -22.991 1.00 0.00 C ATOM 712 OE1 GLN A 44 0.580 3.133 -22.449 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.676 2.641 -24.227 1.00 0.00 N ATOM 0 H GLN A 44 -3.348 1.522 -21.480 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.636 1.306 -20.775 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.593 3.590 -20.278 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.847 3.724 -20.350 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.627 2.892 -22.666 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.984 4.503 -22.419 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.608 2.592 -24.638 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.138 2.367 -24.777 1.00 0.00 H new ATOM 722 N LYS A 45 -2.755 1.696 -18.275 1.00 0.00 N ATOM 723 CA LYS A 45 -2.921 1.597 -16.824 1.00 0.00 C ATOM 724 C LYS A 45 -2.648 0.181 -16.315 1.00 0.00 C ATOM 725 O LYS A 45 -2.119 -0.005 -15.221 1.00 0.00 O ATOM 726 CB LYS A 45 -4.320 2.055 -16.408 1.00 0.00 C ATOM 727 CG LYS A 45 -4.609 3.506 -16.755 1.00 0.00 C ATOM 728 CD LYS A 45 -5.964 3.950 -16.234 1.00 0.00 C ATOM 729 CE LYS A 45 -6.242 5.405 -16.586 1.00 0.00 C ATOM 730 NZ LYS A 45 -5.164 6.312 -16.109 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.622 1.876 -18.782 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.185 2.258 -16.367 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.061 1.419 -16.892 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.435 1.917 -15.333 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.831 4.143 -16.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.575 3.635 -17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.744 3.316 -16.656 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.000 3.822 -15.152 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.345 5.503 -17.667 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.192 5.709 -16.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.584 7.200 -15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.643 5.854 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.511 6.517 -16.892 1.00 0.00 H new ATOM 744 N HIS A 46 -2.993 -0.807 -17.118 1.00 0.00 N ATOM 745 CA HIS A 46 -2.819 -2.200 -16.739 1.00 0.00 C ATOM 746 C HIS A 46 -1.352 -2.591 -16.886 1.00 0.00 C ATOM 747 O HIS A 46 -0.774 -3.233 -16.011 1.00 0.00 O ATOM 748 CB HIS A 46 -3.721 -3.073 -17.627 1.00 0.00 C ATOM 749 CG HIS A 46 -3.611 -4.558 -17.430 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.896 -5.204 -16.244 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.303 -5.521 -18.313 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.766 -6.512 -16.421 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.405 -6.728 -17.678 1.00 0.00 N ATOM 0 H HIS A 46 -3.399 -0.671 -18.044 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.104 -2.349 -15.697 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.757 -2.781 -17.455 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.496 -2.848 -18.670 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.023 -5.369 -19.345 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.927 -7.271 -15.670 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.232 -7.640 -18.100 1.00 0.00 H new ATOM 761 N ARG A 47 -0.759 -2.188 -18.003 1.00 0.00 N ATOM 762 CA ARG A 47 0.648 -2.448 -18.274 1.00 0.00 C ATOM 763 C ARG A 47 1.554 -1.654 -17.331 1.00 0.00 C ATOM 764 O ARG A 47 2.642 -2.098 -16.995 1.00 0.00 O ATOM 765 CB ARG A 47 0.985 -2.126 -19.729 1.00 0.00 C ATOM 766 CG ARG A 47 2.409 -2.473 -20.107 1.00 0.00 C ATOM 767 CD ARG A 47 2.709 -2.128 -21.548 1.00 0.00 C ATOM 768 NE ARG A 47 4.096 -2.423 -21.889 1.00 0.00 N ATOM 769 CZ ARG A 47 4.533 -2.648 -23.132 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.689 -2.590 -24.159 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.813 -2.928 -23.348 1.00 0.00 N ATOM 0 H ARG A 47 -1.238 -1.674 -18.743 1.00 0.00 H new ATOM 0 HA ARG A 47 0.827 -3.509 -18.099 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.301 -2.669 -20.381 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.818 -1.063 -19.906 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.099 -1.938 -19.454 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.578 -3.538 -19.946 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.044 -2.690 -22.204 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.508 -1.071 -21.720 1.00 0.00 H new ATOM 0 HE ARG A 47 4.776 -2.460 -21.130 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.705 -2.373 -23.999 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.026 -2.762 -25.106 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.465 -2.972 -22.565 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.144 -3.099 -24.297 1.00 0.00 H new ATOM 785 N GLN A 48 1.089 -0.485 -16.902 1.00 0.00 N ATOM 786 CA GLN A 48 1.862 0.367 -15.993 1.00 0.00 C ATOM 787 C GLN A 48 2.227 -0.401 -14.727 1.00 0.00 C ATOM 788 O GLN A 48 3.355 -0.319 -14.240 1.00 0.00 O ATOM 789 CB GLN A 48 1.046 1.613 -15.616 1.00 0.00 C ATOM 790 CG GLN A 48 1.811 2.631 -14.779 1.00 0.00 C ATOM 791 CD GLN A 48 2.931 3.306 -15.551 1.00 0.00 C ATOM 792 OE1 GLN A 48 2.725 3.506 -16.840 1.00 0.00 O flip ATOM 793 NE2 GLN A 48 3.964 3.664 -14.982 1.00 0.00 N flip ATOM 0 H GLN A 48 0.181 -0.102 -17.167 1.00 0.00 H new ATOM 0 HA GLN A 48 2.776 0.673 -16.502 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.700 2.097 -16.529 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.159 1.300 -15.065 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.118 3.390 -14.416 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.228 2.134 -13.903 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.083 3.490 -13.984 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.700 4.134 -15.509 1.00 0.00 H new ATOM 802 N LEU A 49 1.285 -1.167 -14.223 1.00 0.00 N ATOM 803 CA LEU A 49 1.511 -1.962 -13.031 1.00 0.00 C ATOM 804 C LEU A 49 2.451 -3.129 -13.333 1.00 0.00 C ATOM 805 O LEU A 49 3.193 -3.582 -12.464 1.00 0.00 O ATOM 806 CB LEU A 49 0.182 -2.468 -12.482 1.00 0.00 C ATOM 807 CG LEU A 49 -0.785 -1.379 -12.012 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.119 -1.980 -11.636 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.197 -0.607 -10.837 1.00 0.00 C ATOM 0 H LEU A 49 0.350 -1.258 -14.621 1.00 0.00 H new ATOM 0 HA LEU A 49 1.984 -1.335 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.310 -3.060 -13.254 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.384 -3.138 -11.646 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.941 -0.682 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.793 -1.190 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.548 -2.484 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.979 -2.700 -10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.900 0.162 -10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.009 -1.291 -10.010 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.739 -0.139 -11.141 1.00 0.00 H new ATOM 821 N PHE A 50 2.424 -3.592 -14.576 1.00 0.00 N ATOM 822 CA PHE A 50 3.264 -4.698 -15.016 1.00 0.00 C ATOM 823 C PHE A 50 4.722 -4.254 -15.183 1.00 0.00 C ATOM 824 O PHE A 50 5.643 -4.966 -14.792 1.00 0.00 O ATOM 825 CB PHE A 50 2.726 -5.268 -16.335 1.00 0.00 C ATOM 826 CG PHE A 50 3.564 -6.370 -16.912 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.571 -7.623 -16.332 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.342 -6.152 -18.040 1.00 0.00 C ATOM 829 CE1 PHE A 50 4.337 -8.639 -16.858 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.112 -7.166 -18.572 1.00 0.00 C ATOM 831 CZ PHE A 50 5.110 -8.412 -17.981 1.00 0.00 C ATOM 0 H PHE A 50 1.821 -3.213 -15.306 1.00 0.00 H new ATOM 0 HA PHE A 50 3.237 -5.475 -14.252 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.715 -5.642 -16.172 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.653 -4.461 -17.064 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.968 -7.808 -15.455 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.345 -5.178 -18.507 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.334 -9.614 -16.393 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.715 -6.984 -19.449 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.711 -9.208 -18.395 1.00 0.00 H new ATOM 841 N ASP A 51 4.922 -3.062 -15.732 1.00 0.00 N ATOM 842 CA ASP A 51 6.275 -2.540 -15.955 1.00 0.00 C ATOM 843 C ASP A 51 6.936 -2.178 -14.641 1.00 0.00 C ATOM 844 O ASP A 51 8.151 -2.233 -14.509 1.00 0.00 O ATOM 845 CB ASP A 51 6.267 -1.318 -16.885 1.00 0.00 C ATOM 846 CG ASP A 51 6.279 -1.679 -18.360 1.00 0.00 C ATOM 847 OD1 ASP A 51 5.198 -1.764 -18.974 1.00 0.00 O ATOM 848 OD2 ASP A 51 7.387 -1.849 -18.918 1.00 0.00 O1- ATOM 0 H ASP A 51 4.173 -2.438 -16.031 1.00 0.00 H new ATOM 0 HA ASP A 51 6.848 -3.332 -16.438 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.383 -0.716 -16.674 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.135 -0.697 -16.664 1.00 0.00 H new ATOM 969 N GLU A 60 4.312 -16.853 -21.471 1.00 0.00 N ATOM 970 CA GLU A 60 3.361 -16.985 -22.564 1.00 0.00 C ATOM 971 C GLU A 60 2.194 -16.032 -22.379 1.00 0.00 C ATOM 972 O GLU A 60 1.668 -15.496 -23.349 1.00 0.00 O ATOM 973 CB GLU A 60 2.852 -18.415 -22.676 1.00 0.00 C ATOM 974 CG GLU A 60 3.923 -19.418 -23.042 1.00 0.00 C ATOM 975 CD GLU A 60 4.466 -19.210 -24.438 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.896 -19.778 -25.391 1.00 0.00 O ATOM 977 OE2 GLU A 60 5.472 -18.493 -24.593 1.00 0.00 O1- ATOM 0 HA GLU A 60 3.880 -16.730 -23.488 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.404 -18.707 -21.726 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.062 -18.452 -23.426 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.741 -19.348 -22.325 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.514 -20.425 -22.962 1.00 0.00 H new ATOM 984 N ALA A 61 1.780 -15.837 -21.133 1.00 0.00 N ATOM 985 CA ALA A 61 0.706 -14.906 -20.827 1.00 0.00 C ATOM 986 C ALA A 61 1.094 -13.493 -21.239 1.00 0.00 C ATOM 987 O ALA A 61 0.314 -12.790 -21.878 1.00 0.00 O ATOM 988 CB ALA A 61 0.367 -14.953 -19.343 1.00 0.00 C ATOM 0 H ALA A 61 2.173 -16.312 -20.320 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.178 -15.201 -21.393 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.439 -14.250 -19.131 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.050 -15.960 -19.074 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.247 -14.682 -18.760 1.00 0.00 H new ATOM 994 N ALA A 62 2.310 -13.084 -20.885 1.00 0.00 N ATOM 995 CA ALA A 62 2.824 -11.778 -21.282 1.00 0.00 C ATOM 996 C ALA A 62 2.966 -11.690 -22.799 1.00 0.00 C ATOM 997 O ALA A 62 2.638 -10.671 -23.402 1.00 0.00 O ATOM 998 CB ALA A 62 4.160 -11.507 -20.605 1.00 0.00 C ATOM 0 H ALA A 62 2.957 -13.639 -20.324 1.00 0.00 H new ATOM 0 HA ALA A 62 2.111 -11.018 -20.963 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.531 -10.529 -20.911 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.030 -11.523 -19.523 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.877 -12.274 -20.896 1.00 0.00 H new ATOM 1004 N LYS A 63 3.440 -12.774 -23.406 1.00 0.00 N ATOM 1005 CA LYS A 63 3.596 -12.837 -24.857 1.00 0.00 C ATOM 1006 C LYS A 63 2.248 -12.668 -25.549 1.00 0.00 C ATOM 1007 O LYS A 63 2.121 -11.900 -26.504 1.00 0.00 O ATOM 1008 CB LYS A 63 4.221 -14.175 -25.261 1.00 0.00 C ATOM 1009 CG LYS A 63 4.286 -14.402 -26.765 1.00 0.00 C ATOM 1010 CD LYS A 63 4.716 -15.820 -27.097 1.00 0.00 C ATOM 1011 CE LYS A 63 6.166 -16.078 -26.720 1.00 0.00 C ATOM 1012 NZ LYS A 63 6.513 -17.510 -26.852 1.00 0.00 N1+ ATOM 0 H LYS A 63 3.723 -13.622 -22.915 1.00 0.00 H new ATOM 0 HA LYS A 63 4.253 -12.025 -25.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.230 -14.231 -24.852 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.648 -14.983 -24.807 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.309 -14.205 -27.206 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.986 -13.695 -27.211 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.073 -16.526 -26.571 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.581 -15.999 -28.164 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.820 -15.484 -27.358 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.340 -15.753 -25.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.517 -17.602 -27.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.342 -17.994 -25.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.925 -17.943 -27.593 1.00 0.00 H new ATOM 1026 N GLN A 64 1.241 -13.369 -25.054 1.00 0.00 N ATOM 1027 CA GLN A 64 -0.103 -13.253 -25.596 1.00 0.00 C ATOM 1028 C GLN A 64 -0.688 -11.879 -25.294 1.00 0.00 C ATOM 1029 O GLN A 64 -1.499 -11.361 -26.057 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.996 -14.368 -25.059 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.616 -15.741 -25.591 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.287 -16.873 -24.848 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.378 -17.316 -25.208 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.637 -17.351 -23.810 1.00 0.00 N ATOM 0 H GLN A 64 1.329 -14.025 -24.278 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.051 -13.360 -26.679 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.941 -14.378 -23.970 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.032 -14.156 -25.324 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.880 -15.801 -26.647 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.465 -15.862 -25.526 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.265 -16.954 -23.546 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.035 -18.119 -23.269 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.266 -11.294 -24.176 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.706 -9.958 -23.829 1.00 0.00 C ATOM 1045 C GLY A 65 -0.205 -8.944 -24.833 1.00 0.00 C ATOM 1046 O GLY A 65 -0.972 -8.117 -25.327 1.00 0.00 O ATOM 0 H GLY A 65 0.372 -11.723 -23.506 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.795 -9.929 -23.790 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.344 -9.699 -22.834 1.00 0.00 H new ATOM 1050 N ASP A 66 1.093 -9.011 -25.138 1.00 0.00 N ATOM 1051 CA ASP A 66 1.689 -8.153 -26.167 1.00 0.00 C ATOM 1052 C ASP A 66 1.015 -8.391 -27.501 1.00 0.00 C ATOM 1053 O ASP A 66 0.743 -7.454 -28.250 1.00 0.00 O ATOM 1054 CB ASP A 66 3.194 -8.410 -26.317 1.00 0.00 C ATOM 1055 CG ASP A 66 4.011 -7.932 -25.139 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.752 -8.753 -24.551 1.00 0.00 O ATOM 1057 OD2 ASP A 66 3.933 -6.733 -24.799 1.00 0.00 O1- ATOM 0 H ASP A 66 1.751 -9.648 -24.689 1.00 0.00 H new ATOM 0 HA ASP A 66 1.542 -7.120 -25.852 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.360 -9.479 -26.453 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.550 -7.915 -27.220 1.00 0.00 H new ATOM 1062 N GLN A 67 0.742 -9.656 -27.792 1.00 0.00 N ATOM 1063 CA GLN A 67 0.089 -10.030 -29.026 1.00 0.00 C ATOM 1064 C GLN A 67 -1.304 -9.417 -29.102 1.00 0.00 C ATOM 1065 O GLN A 67 -1.701 -8.912 -30.142 1.00 0.00 O ATOM 1066 CB GLN A 67 0.015 -11.550 -29.148 1.00 0.00 C ATOM 1067 CG GLN A 67 -0.490 -12.042 -30.493 1.00 0.00 C ATOM 1068 CD GLN A 67 0.345 -11.531 -31.658 1.00 0.00 C ATOM 1069 OE1 GLN A 67 0.056 -10.484 -32.232 1.00 0.00 O ATOM 1070 NE2 GLN A 67 1.387 -12.259 -32.000 1.00 0.00 N ATOM 0 H GLN A 67 0.967 -10.441 -27.181 1.00 0.00 H new ATOM 0 HA GLN A 67 0.677 -9.645 -29.859 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.007 -11.966 -28.970 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.638 -11.935 -28.364 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.488 -13.132 -30.500 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.524 -11.725 -30.626 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.593 -13.123 -31.498 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.989 -11.959 -32.767 1.00 0.00 H new ATOM 1079 N TRP A 68 -2.037 -9.451 -27.992 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.368 -8.860 -27.941 1.00 0.00 C ATOM 1081 C TRP A 68 -3.288 -7.362 -28.249 1.00 0.00 C ATOM 1082 O TRP A 68 -4.130 -6.817 -28.961 1.00 0.00 O ATOM 1083 CB TRP A 68 -4.019 -9.095 -26.566 1.00 0.00 C ATOM 1084 CG TRP A 68 -5.472 -8.720 -26.527 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -6.525 -9.521 -26.861 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -6.036 -7.459 -26.140 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.704 -8.838 -26.718 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -7.434 -7.570 -26.275 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.498 -6.247 -25.697 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -8.298 -6.518 -25.984 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.357 -5.204 -25.408 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.742 -5.346 -25.552 1.00 0.00 C ATOM 0 H TRP A 68 -1.731 -9.881 -27.119 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.991 -9.342 -28.695 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.914 -10.146 -26.297 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.481 -8.518 -25.813 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -6.441 -10.546 -27.191 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.633 -9.213 -26.910 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.431 -6.128 -25.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.367 -6.624 -26.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.953 -4.263 -25.065 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.386 -4.511 -25.317 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.254 -6.713 -27.724 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.038 -5.291 -27.967 1.00 0.00 C ATOM 1105 C VAL A 69 -1.692 -5.064 -29.441 1.00 0.00 C ATOM 1106 O VAL A 69 -2.168 -4.117 -30.067 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.912 -4.719 -27.068 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.665 -3.246 -27.373 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -1.261 -4.905 -25.600 1.00 0.00 C ATOM 0 H VAL A 69 -1.552 -7.150 -27.127 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.961 -4.766 -27.719 1.00 0.00 H new ATOM 0 HB VAL A 69 0.005 -5.268 -27.282 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.129 -2.869 -26.729 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.369 -3.135 -28.416 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.578 -2.679 -27.192 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.461 -4.498 -24.981 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.192 -4.383 -25.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.381 -5.967 -25.386 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.878 -5.961 -29.988 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.482 -5.917 -31.374 1.00 0.00 C ATOM 1121 C GLN A 70 -1.715 -6.065 -32.268 1.00 0.00 C ATOM 1122 O GLN A 70 -1.893 -5.326 -33.241 1.00 0.00 O ATOM 1123 CB GLN A 70 0.498 -7.054 -31.631 1.00 0.00 C ATOM 1124 CG GLN A 70 1.066 -7.088 -33.022 1.00 0.00 C ATOM 1125 CD GLN A 70 1.970 -5.905 -33.330 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.660 -5.399 -32.323 1.00 0.00 O flip ATOM 1127 NE2 GLN A 70 2.058 -5.464 -34.472 1.00 0.00 N flip ATOM 0 H GLN A 70 -0.476 -6.742 -29.470 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.005 -4.963 -31.601 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.320 -6.976 -30.919 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.005 -8.001 -31.435 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.630 -8.012 -33.155 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.247 -7.108 -33.741 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.509 -5.881 -35.224 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.680 -4.680 -34.669 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.563 -7.021 -31.912 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.808 -7.266 -32.621 1.00 0.00 C ATOM 1138 C LEU A 71 -4.708 -6.038 -32.546 1.00 0.00 C ATOM 1139 O LEU A 71 -5.371 -5.686 -33.515 1.00 0.00 O ATOM 1140 CB LEU A 71 -4.530 -8.473 -32.021 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.834 -9.825 -32.181 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -4.489 -10.863 -31.285 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.882 -10.278 -33.629 1.00 0.00 C ATOM 0 H LEU A 71 -2.405 -7.648 -31.123 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.576 -7.474 -33.666 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.679 -8.289 -30.957 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.519 -8.541 -32.475 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.791 -9.714 -31.886 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.984 -11.821 -31.409 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.415 -10.545 -30.245 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.539 -10.969 -31.558 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.382 -11.242 -33.725 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.920 -10.374 -33.946 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.378 -9.543 -34.257 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.707 -5.383 -31.387 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.501 -4.179 -31.179 1.00 0.00 C ATOM 1157 C PHE A 72 -5.033 -3.062 -32.109 1.00 0.00 C ATOM 1158 O PHE A 72 -5.849 -2.359 -32.711 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.414 -3.724 -29.715 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.194 -2.472 -29.420 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.572 -2.513 -29.299 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.547 -1.252 -29.264 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.292 -1.367 -29.030 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.263 -0.101 -28.994 1.00 0.00 C ATOM 1165 CZ PHE A 72 -7.637 -0.159 -28.878 1.00 0.00 C ATOM 0 H PHE A 72 -4.161 -5.670 -30.575 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.541 -4.410 -31.410 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.777 -4.527 -29.073 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.368 -3.558 -29.458 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.090 -3.453 -29.417 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.472 -1.203 -29.355 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.367 -1.414 -28.938 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.749 0.841 -28.874 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.200 0.739 -28.669 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.719 -2.904 -32.221 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.145 -1.894 -33.101 1.00 0.00 C ATOM 1177 C GLN A 73 -3.526 -2.173 -34.550 1.00 0.00 C ATOM 1178 O GLN A 73 -3.880 -1.260 -35.295 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.624 -1.832 -32.940 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.183 -1.486 -31.527 1.00 0.00 C ATOM 1181 CD GLN A 73 0.317 -1.313 -31.391 1.00 0.00 C ATOM 1182 OE1 GLN A 73 1.103 -1.929 -32.117 1.00 0.00 O ATOM 1183 NE2 GLN A 73 0.725 -0.477 -30.457 1.00 0.00 N ATOM 0 H GLN A 73 -3.032 -3.462 -31.714 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.552 -0.923 -32.820 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.196 -2.794 -33.221 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.222 -1.090 -33.631 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.677 -0.566 -31.215 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.514 -2.272 -30.848 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.043 0.013 -29.878 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.723 -0.320 -30.314 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.468 -3.446 -34.937 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.870 -3.856 -36.279 1.00 0.00 C ATOM 1194 C ARG A 74 -5.358 -3.601 -36.483 1.00 0.00 C ATOM 1195 O ARG A 74 -5.788 -3.186 -37.554 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.566 -5.336 -36.512 1.00 0.00 C ATOM 1197 CG ARG A 74 -2.088 -5.664 -36.619 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.875 -7.141 -36.916 1.00 0.00 C ATOM 1199 NE ARG A 74 -2.601 -7.568 -38.119 1.00 0.00 N ATOM 1200 CZ ARG A 74 -2.402 -8.725 -38.761 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -1.470 -9.577 -38.343 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 -3.131 -9.018 -39.832 1.00 0.00 N ATOM 0 H ARG A 74 -3.147 -4.209 -34.341 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.300 -3.266 -36.997 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.996 -5.916 -35.695 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.064 -5.657 -37.427 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.635 -5.062 -37.407 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.586 -5.401 -35.688 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.810 -7.335 -37.046 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.205 -7.734 -36.063 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.309 -6.936 -38.493 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.901 -9.350 -37.527 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.325 -10.457 -38.838 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.839 -8.362 -40.162 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.983 -9.899 -40.324 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.132 -3.856 -35.437 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.569 -3.636 -35.463 1.00 0.00 C ATOM 1218 C PHE A 75 -7.860 -2.157 -35.725 1.00 0.00 C ATOM 1219 O PHE A 75 -8.702 -1.819 -36.555 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.196 -4.096 -34.136 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.693 -3.966 -34.075 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.506 -4.880 -34.726 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.287 -2.942 -33.357 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.882 -4.773 -34.664 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.662 -2.829 -33.293 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.460 -3.746 -33.947 1.00 0.00 C ATOM 0 H PHE A 75 -5.782 -4.220 -34.551 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.012 -4.222 -36.268 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.927 -5.138 -33.964 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.760 -3.516 -33.323 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.058 -5.686 -35.289 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.668 -2.223 -32.841 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.504 -5.492 -35.176 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.113 -2.024 -32.732 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.535 -3.660 -33.897 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.144 -1.283 -35.016 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.269 0.163 -35.209 1.00 0.00 C ATOM 1238 C ARG A 76 -6.958 0.551 -36.661 1.00 0.00 C ATOM 1239 O ARG A 76 -7.672 1.356 -37.266 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.325 0.914 -34.253 1.00 0.00 C ATOM 1241 CG ARG A 76 -6.334 2.428 -34.439 1.00 0.00 C ATOM 1242 CD ARG A 76 -7.647 3.042 -33.987 1.00 0.00 C ATOM 1243 NE ARG A 76 -8.165 4.013 -34.956 1.00 0.00 N ATOM 1244 CZ ARG A 76 -9.146 4.884 -34.699 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -9.575 5.058 -33.458 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -9.653 5.623 -35.671 1.00 0.00 N ATOM 0 H ARG A 76 -6.469 -1.552 -34.300 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.299 0.445 -34.988 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.605 0.682 -33.225 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.309 0.546 -34.398 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.513 2.869 -33.874 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.163 2.667 -35.489 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.383 2.252 -33.837 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.505 3.532 -33.024 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.749 4.025 -35.887 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.157 4.527 -32.695 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.324 5.724 -33.266 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.296 5.530 -36.622 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.401 6.286 -35.470 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.918 -0.056 -37.222 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.508 0.222 -38.597 1.00 0.00 C ATOM 1262 C GLU A 77 -6.558 -0.246 -39.578 1.00 0.00 C ATOM 1263 O GLU A 77 -6.785 0.386 -40.613 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.175 -0.457 -38.910 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.974 0.269 -38.355 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.857 1.659 -38.921 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -2.430 1.797 -40.085 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -3.202 2.621 -38.215 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.340 -0.747 -36.744 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.390 1.301 -38.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.192 -1.471 -38.509 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.067 -0.543 -39.991 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.050 0.323 -37.269 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.070 -0.295 -38.583 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.222 -1.334 -39.238 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.224 -1.911 -40.094 1.00 0.00 C ATOM 1277 C ALA A 78 -9.453 -1.020 -40.140 1.00 0.00 C ATOM 1278 O ALA A 78 -10.136 -0.944 -41.155 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.580 -3.314 -39.630 1.00 0.00 C ATOM 0 H ALA A 78 -7.078 -1.837 -38.362 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.821 -1.986 -41.104 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.339 -3.734 -40.290 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.690 -3.942 -39.655 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.967 -3.273 -38.612 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.711 -0.315 -39.037 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.867 0.564 -38.939 1.00 0.00 C ATOM 1287 C ILE A 79 -10.630 1.800 -39.787 1.00 0.00 C ATOM 1288 O ILE A 79 -11.485 2.220 -40.565 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.108 1.023 -37.472 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.403 -0.170 -36.567 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.245 2.036 -37.402 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.564 0.199 -35.108 1.00 0.00 C ATOM 0 H ILE A 79 -9.130 -0.339 -38.199 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.739 0.010 -39.286 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.195 1.503 -37.118 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.314 -0.660 -36.912 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.595 -0.896 -36.662 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.396 2.343 -36.367 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.993 2.908 -38.006 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.160 1.583 -37.783 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.772 -0.699 -34.526 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.646 0.661 -34.746 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.391 0.901 -34.999 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.434 2.349 -39.652 1.00 0.00 N ATOM 1305 CA ASP A 80 -9.055 3.576 -40.334 1.00 0.00 C ATOM 1306 C ASP A 80 -8.900 3.364 -41.825 1.00 0.00 C ATOM 1307 O ASP A 80 -9.200 4.253 -42.620 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.759 4.136 -39.744 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.960 4.756 -38.380 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -7.189 4.434 -37.455 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -8.895 5.567 -38.219 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.698 1.956 -39.066 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.858 4.297 -40.182 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.023 3.336 -39.670 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.349 4.885 -40.422 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.447 2.186 -42.208 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.237 1.881 -43.611 1.00 0.00 C ATOM 1318 C LYS A 81 -9.441 1.176 -44.229 1.00 0.00 C ATOM 1319 O LYS A 81 -9.412 0.791 -45.400 1.00 0.00 O ATOM 1320 CB LYS A 81 -6.945 1.084 -43.799 1.00 0.00 C ATOM 1321 CG LYS A 81 -5.705 1.926 -43.535 1.00 0.00 C ATOM 1322 CD LYS A 81 -4.426 1.112 -43.576 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.202 2.022 -43.512 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.229 2.921 -42.323 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.217 1.425 -41.569 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.128 2.824 -44.147 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.949 0.226 -43.127 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.906 0.693 -44.816 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.647 2.723 -44.276 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.796 2.404 -42.559 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.408 0.412 -42.741 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.396 0.519 -44.490 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.299 1.412 -43.483 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.151 2.624 -44.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.355 3.484 -42.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.049 3.558 -42.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.302 2.349 -41.457 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.492 0.999 -43.432 1.00 0.00 N ATOM 1339 CA GLY A 82 -11.736 0.446 -43.945 1.00 0.00 C ATOM 1340 C GLY A 82 -11.649 -1.012 -44.344 1.00 0.00 C ATOM 1341 O GLY A 82 -12.386 -1.456 -45.228 1.00 0.00 O ATOM 0 H GLY A 82 -10.505 1.229 -42.438 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.510 0.558 -43.186 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.051 1.030 -44.810 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.769 -1.765 -43.713 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.604 -3.162 -44.058 1.00 0.00 C ATOM 1347 C ASP A 83 -11.580 -3.999 -43.246 1.00 0.00 C ATOM 1348 O ASP A 83 -11.317 -4.339 -42.090 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.163 -3.611 -43.796 1.00 0.00 C ATOM 1350 CG ASP A 83 -8.836 -4.949 -44.431 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.364 -5.981 -43.976 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -8.026 -4.974 -45.386 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.161 -1.435 -42.963 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.812 -3.298 -45.119 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.477 -2.856 -44.179 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.998 -3.675 -42.721 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.714 -4.303 -43.850 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.779 -5.038 -43.182 1.00 0.00 C ATOM 1359 C LYS A 84 -13.343 -6.450 -42.820 1.00 0.00 C ATOM 1360 O LYS A 84 -13.632 -6.937 -41.722 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.030 -5.086 -44.069 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.147 -5.964 -43.517 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.347 -5.995 -44.448 1.00 0.00 C ATOM 1364 CE LYS A 84 -18.376 -7.021 -43.993 1.00 0.00 C ATOM 1365 NZ LYS A 84 -17.852 -8.409 -44.071 1.00 0.00 N1+ ATOM 0 H LYS A 84 -12.925 -4.049 -44.815 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.014 -4.512 -42.257 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.409 -4.073 -44.200 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.749 -5.451 -45.057 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.774 -6.978 -43.369 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.454 -5.592 -42.540 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.807 -5.007 -44.484 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.018 -6.231 -45.460 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.675 -6.804 -42.968 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -19.270 -6.936 -44.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.590 -9.076 -43.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.574 -8.621 -45.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.024 -8.503 -43.449 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.627 -7.087 -43.731 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.209 -8.470 -43.546 1.00 0.00 C ATOM 1381 C ASP A 85 -11.341 -8.639 -42.319 1.00 0.00 C ATOM 1382 O ASP A 85 -11.594 -9.516 -41.489 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.480 -8.992 -44.782 1.00 0.00 C ATOM 1384 CG ASP A 85 -12.390 -9.125 -45.981 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.123 -10.137 -46.072 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -12.376 -8.223 -46.842 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.321 -6.669 -44.610 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.115 -9.058 -43.398 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.659 -8.318 -45.027 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.039 -9.963 -44.556 1.00 0.00 H new ATOM 1391 N SER A 86 -10.321 -7.806 -42.189 1.00 0.00 N ATOM 1392 CA SER A 86 -9.432 -7.888 -41.053 1.00 0.00 C ATOM 1393 C SER A 86 -10.153 -7.585 -39.751 1.00 0.00 C ATOM 1394 O SER A 86 -9.843 -8.174 -38.730 1.00 0.00 O ATOM 1395 CB SER A 86 -8.255 -6.935 -41.228 1.00 0.00 C ATOM 1396 OG SER A 86 -7.594 -7.168 -42.463 1.00 0.00 O ATOM 0 H SER A 86 -10.093 -7.069 -42.856 1.00 0.00 H new ATOM 0 HA SER A 86 -9.063 -8.912 -41.002 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.607 -5.904 -41.188 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.552 -7.064 -40.405 1.00 0.00 H new ATOM 0 HG SER A 86 -8.229 -7.052 -43.201 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.138 -6.695 -39.792 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.844 -6.305 -38.579 1.00 0.00 C ATOM 1404 C LEU A 87 -12.540 -7.495 -37.945 1.00 0.00 C ATOM 1405 O LEU A 87 -12.395 -7.743 -36.748 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.874 -5.217 -38.888 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.314 -3.834 -39.198 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.421 -2.900 -39.663 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.625 -3.265 -37.975 1.00 0.00 C ATOM 0 H LEU A 87 -11.463 -6.235 -40.642 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.107 -5.917 -37.876 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.473 -5.543 -39.738 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.549 -5.131 -38.036 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.584 -3.928 -40.002 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.001 -1.918 -39.879 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.883 -3.304 -40.564 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.173 -2.809 -38.879 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.229 -2.277 -38.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.342 -3.185 -37.158 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.808 -3.923 -37.678 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.285 -8.230 -38.751 1.00 0.00 N ATOM 1422 CA GLU A 88 -14.002 -9.401 -38.277 1.00 0.00 C ATOM 1423 C GLU A 88 -13.057 -10.449 -37.682 1.00 0.00 C ATOM 1424 O GLU A 88 -13.271 -10.923 -36.565 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.784 -10.012 -39.437 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.724 -9.032 -40.123 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.296 -9.578 -41.411 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -15.861 -9.144 -42.493 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.189 -10.444 -41.352 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.410 -8.035 -39.744 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.681 -9.085 -37.485 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.081 -10.403 -40.172 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.362 -10.859 -39.068 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.540 -8.782 -39.445 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.188 -8.106 -40.332 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.000 -10.775 -38.413 1.00 0.00 N ATOM 1437 CA GLN A 89 -11.052 -11.790 -37.959 1.00 0.00 C ATOM 1438 C GLN A 89 -10.230 -11.324 -36.754 1.00 0.00 C ATOM 1439 O GLN A 89 -10.065 -12.067 -35.786 1.00 0.00 O ATOM 1440 CB GLN A 89 -10.127 -12.241 -39.086 1.00 0.00 C ATOM 1441 CG GLN A 89 -9.270 -13.442 -38.706 1.00 0.00 C ATOM 1442 CD GLN A 89 -8.347 -13.886 -39.815 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -7.895 -13.081 -40.623 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -8.066 -15.171 -39.867 1.00 0.00 N ATOM 0 H GLN A 89 -11.776 -10.357 -39.316 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.651 -12.643 -37.641 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.725 -12.491 -39.962 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.477 -11.413 -39.369 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.677 -13.194 -37.826 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.920 -14.272 -38.429 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.462 -15.808 -39.176 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.452 -15.530 -40.598 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.732 -10.094 -36.808 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.900 -9.566 -35.728 1.00 0.00 C ATOM 1455 C LEU A 90 -9.691 -9.443 -34.442 1.00 0.00 C ATOM 1456 O LEU A 90 -9.157 -9.656 -33.361 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.283 -8.214 -36.103 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.251 -8.242 -37.236 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.802 -6.835 -37.580 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.056 -9.106 -36.856 1.00 0.00 C ATOM 0 H LEU A 90 -9.887 -9.446 -37.581 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.088 -10.276 -35.570 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.087 -7.535 -36.387 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.809 -7.794 -35.216 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.722 -8.680 -38.116 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.069 -6.874 -38.386 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.662 -6.246 -37.899 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.351 -6.372 -36.702 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.336 -9.112 -37.674 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.584 -8.701 -35.961 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.391 -10.125 -36.660 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.970 -9.121 -34.561 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.816 -8.994 -33.395 1.00 0.00 C ATOM 1474 C LEU A 91 -12.033 -10.355 -32.752 1.00 0.00 C ATOM 1475 O LEU A 91 -11.969 -10.488 -31.533 1.00 0.00 O ATOM 1476 CB LEU A 91 -13.153 -8.345 -33.746 1.00 0.00 C ATOM 1477 CG LEU A 91 -14.074 -8.052 -32.560 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.401 -7.109 -31.572 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.383 -7.466 -33.038 1.00 0.00 C ATOM 0 H LEU A 91 -11.438 -8.945 -35.450 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.311 -8.344 -32.680 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.957 -7.410 -34.271 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.682 -8.996 -34.442 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.279 -8.993 -32.049 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.075 -6.915 -30.737 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.484 -7.566 -31.200 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.162 -6.170 -32.071 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -16.026 -7.264 -32.181 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.191 -6.537 -33.575 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.877 -8.174 -33.703 1.00 0.00 H new ATOM 1491 N GLU A 92 -12.263 -11.374 -33.581 1.00 0.00 N ATOM 1492 CA GLU A 92 -12.449 -12.727 -33.074 1.00 0.00 C ATOM 1493 C GLU A 92 -11.163 -13.232 -32.449 1.00 0.00 C ATOM 1494 O GLU A 92 -11.183 -13.937 -31.438 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.899 -13.679 -34.181 1.00 0.00 C ATOM 1496 CG GLU A 92 -14.231 -13.314 -34.801 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.815 -14.443 -35.613 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.617 -14.464 -36.842 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.477 -15.321 -35.018 1.00 0.00 O1- ATOM 0 H GLU A 92 -12.324 -11.287 -34.595 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.231 -12.696 -32.316 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.139 -13.697 -34.962 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.963 -14.688 -33.775 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.931 -13.036 -34.013 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -14.105 -12.439 -35.438 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.041 -12.858 -33.052 1.00 0.00 N ATOM 1507 CA GLU A 93 -8.737 -13.229 -32.539 1.00 0.00 C ATOM 1508 C GLU A 93 -8.518 -12.568 -31.182 1.00 0.00 C ATOM 1509 O GLU A 93 -7.968 -13.176 -30.259 1.00 0.00 O ATOM 1510 CB GLU A 93 -7.640 -12.804 -33.520 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.257 -13.318 -33.161 1.00 0.00 C ATOM 1512 CD GLU A 93 -6.159 -14.823 -33.243 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -6.652 -15.510 -32.333 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.581 -15.333 -34.227 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.013 -12.295 -33.902 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.692 -14.312 -32.422 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.901 -13.159 -34.517 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.611 -11.715 -33.567 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.522 -12.872 -33.831 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.004 -12.995 -32.151 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.984 -11.326 -31.061 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.881 -10.588 -29.816 1.00 0.00 C ATOM 1523 C LEU A 94 -9.658 -11.306 -28.721 1.00 0.00 C ATOM 1524 O LEU A 94 -9.207 -11.386 -27.582 1.00 0.00 O ATOM 1525 CB LEU A 94 -9.416 -9.158 -29.977 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.545 -8.189 -30.781 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -9.275 -6.872 -31.000 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -7.231 -7.943 -30.065 1.00 0.00 C ATOM 0 H LEU A 94 -9.437 -10.813 -31.817 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.828 -10.533 -29.540 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.395 -9.212 -30.453 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.567 -8.736 -28.983 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.338 -8.638 -31.752 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.641 -6.195 -31.573 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.199 -7.055 -31.548 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.509 -6.421 -30.036 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.622 -7.252 -30.649 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.427 -7.513 -29.083 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.698 -8.887 -29.948 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.835 -11.825 -29.082 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.681 -12.565 -28.148 1.00 0.00 C ATOM 1542 C GLU A 95 -10.969 -13.818 -27.639 1.00 0.00 C ATOM 1543 O GLU A 95 -10.974 -14.106 -26.440 1.00 0.00 O ATOM 1544 CB GLU A 95 -13.000 -12.977 -28.820 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.787 -11.829 -29.429 1.00 0.00 C ATOM 1546 CD GLU A 95 -15.086 -12.286 -30.061 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -16.162 -11.841 -29.606 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.043 -13.103 -31.001 1.00 0.00 O1- ATOM 0 H GLU A 95 -11.224 -11.744 -30.022 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.892 -11.906 -27.306 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.782 -13.705 -29.601 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.627 -13.479 -28.083 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.003 -11.091 -28.657 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.175 -11.333 -30.182 1.00 0.00 H new ATOM 1555 N GLN A 96 -10.337 -14.546 -28.556 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.673 -15.800 -28.220 1.00 0.00 C ATOM 1557 C GLN A 96 -8.440 -15.558 -27.358 1.00 0.00 C ATOM 1558 O GLN A 96 -8.225 -16.245 -26.364 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.282 -16.560 -29.492 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.454 -16.852 -30.421 1.00 0.00 C ATOM 1561 CD GLN A 96 -11.558 -17.646 -29.748 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -11.306 -18.456 -28.855 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.785 -17.413 -30.164 1.00 0.00 N ATOM 0 H GLN A 96 -10.271 -14.287 -29.540 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.377 -16.404 -27.648 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.536 -15.980 -30.035 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.811 -17.502 -29.211 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.863 -15.911 -30.789 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.094 -17.404 -31.289 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.951 -16.734 -30.907 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.569 -17.912 -29.744 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.651 -14.567 -27.742 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.427 -14.233 -27.019 1.00 0.00 C ATOM 1574 C ALA A 97 -6.757 -13.707 -25.626 1.00 0.00 C ATOM 1575 O ALA A 97 -6.099 -14.057 -24.645 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.608 -13.216 -27.800 1.00 0.00 C ATOM 0 H ALA A 97 -7.835 -13.976 -28.553 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.831 -15.139 -26.909 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.699 -12.978 -27.247 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.343 -13.632 -28.772 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.194 -12.308 -27.942 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.804 -12.898 -25.553 1.00 0.00 N ATOM 1583 CA LEU A 98 -8.253 -12.321 -24.291 1.00 0.00 C ATOM 1584 C LEU A 98 -8.672 -13.420 -23.326 1.00 0.00 C ATOM 1585 O LEU A 98 -8.291 -13.416 -22.148 1.00 0.00 O ATOM 1586 CB LEU A 98 -9.417 -11.336 -24.543 1.00 0.00 C ATOM 1587 CG LEU A 98 -10.116 -10.750 -23.304 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -10.580 -9.334 -23.590 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -11.310 -11.612 -22.898 1.00 0.00 C ATOM 0 H LEU A 98 -8.364 -12.624 -26.360 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.428 -11.770 -23.840 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.037 -10.508 -25.141 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.168 -11.846 -25.146 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.401 -10.737 -22.482 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.074 -8.928 -22.707 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.720 -8.714 -23.843 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.280 -9.342 -24.426 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.789 -11.179 -22.020 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.026 -11.652 -23.719 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.968 -12.620 -22.665 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.445 -14.362 -23.831 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.926 -15.461 -23.037 1.00 0.00 C ATOM 1603 C GLN A 99 -8.779 -16.360 -22.565 1.00 0.00 C ATOM 1604 O GLN A 99 -8.832 -16.913 -21.467 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.948 -16.266 -23.835 1.00 0.00 C ATOM 1606 CG GLN A 99 -11.585 -17.391 -23.053 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.309 -16.907 -21.809 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.830 -15.792 -21.768 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -12.336 -17.738 -20.790 1.00 0.00 N ATOM 0 H GLN A 99 -9.753 -14.381 -24.803 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.406 -15.054 -22.147 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.730 -15.594 -24.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.461 -16.680 -24.718 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.289 -17.920 -23.695 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.816 -18.108 -22.765 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.892 -18.653 -20.866 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.801 -17.468 -19.924 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.729 -16.478 -23.376 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.603 -17.337 -23.032 1.00 0.00 C ATOM 1620 C LYS A 100 -5.788 -16.741 -21.897 1.00 0.00 C ATOM 1621 O LYS A 100 -5.367 -17.451 -20.985 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.712 -17.580 -24.253 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.377 -18.411 -25.338 1.00 0.00 C ATOM 1624 CD LYS A 100 -5.435 -18.705 -26.504 1.00 0.00 C ATOM 1625 CE LYS A 100 -4.543 -19.920 -26.238 1.00 0.00 C ATOM 1626 NZ LYS A 100 -3.641 -19.725 -25.078 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.637 -15.993 -24.268 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.005 -18.294 -22.699 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.417 -16.619 -24.673 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.799 -18.081 -23.932 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.726 -19.351 -24.910 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.256 -17.884 -25.708 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.021 -18.878 -27.407 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.810 -17.832 -26.692 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.170 -20.794 -26.063 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.946 -20.129 -27.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.797 -20.323 -25.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.354 -18.727 -25.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.138 -19.988 -24.203 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.577 -15.431 -21.953 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.818 -14.732 -20.923 1.00 0.00 C ATOM 1642 C ILE A 101 -5.513 -14.868 -19.572 1.00 0.00 C ATOM 1643 O ILE A 101 -4.876 -15.165 -18.557 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.643 -13.233 -21.272 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.863 -13.085 -22.582 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.931 -12.493 -20.139 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.778 -11.662 -23.086 1.00 0.00 C ATOM 0 H ILE A 101 -5.922 -14.831 -22.702 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.830 -15.189 -20.870 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.630 -12.789 -21.399 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.854 -13.470 -22.438 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.334 -13.703 -23.346 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.819 -11.442 -20.405 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.519 -12.575 -19.225 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.947 -12.934 -19.978 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.211 -11.639 -24.017 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.783 -11.278 -23.264 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.279 -11.042 -22.342 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.826 -14.678 -19.570 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.603 -14.794 -18.348 1.00 0.00 C ATOM 1661 C ARG A 102 -7.602 -16.226 -17.839 1.00 0.00 C ATOM 1662 O ARG A 102 -7.573 -16.462 -16.638 1.00 0.00 O ATOM 1663 CB ARG A 102 -9.033 -14.309 -18.560 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.130 -12.831 -18.880 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.569 -12.355 -18.871 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.214 -12.600 -17.578 1.00 0.00 N ATOM 1667 CZ ARG A 102 -11.334 -11.698 -16.593 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -10.841 -10.474 -16.726 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -11.948 -12.027 -15.468 1.00 0.00 N ATOM 0 H ARG A 102 -7.372 -14.444 -20.399 1.00 0.00 H new ATOM 0 HA ARG A 102 -7.134 -14.160 -17.596 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.485 -14.879 -19.372 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.615 -14.517 -17.662 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.552 -12.261 -18.152 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.688 -12.639 -19.858 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.601 -11.289 -19.097 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.126 -12.865 -19.657 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.602 -13.529 -17.415 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.363 -10.208 -17.587 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.940 -9.799 -15.968 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.329 -12.966 -15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.040 -11.342 -14.718 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.607 -17.176 -18.765 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.590 -18.588 -18.416 1.00 0.00 C ATOM 1685 C GLU A 103 -6.307 -18.927 -17.667 1.00 0.00 C ATOM 1686 O GLU A 103 -6.329 -19.639 -16.657 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.707 -19.442 -19.681 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.709 -20.938 -19.428 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.788 -21.736 -20.707 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -8.913 -22.029 -21.161 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.728 -22.072 -21.268 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.623 -16.991 -19.768 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.440 -18.803 -17.768 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.625 -19.173 -20.203 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.879 -19.199 -20.347 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.804 -21.214 -18.886 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.554 -21.195 -18.789 1.00 0.00 H new ATOM 1698 N LEU A 104 -5.198 -18.391 -18.156 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.897 -18.618 -17.550 1.00 0.00 C ATOM 1700 C LEU A 104 -3.832 -17.972 -16.173 1.00 0.00 C ATOM 1701 O LEU A 104 -3.311 -18.554 -15.223 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.796 -18.041 -18.443 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.664 -18.668 -19.834 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.591 -17.960 -20.633 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.355 -20.150 -19.734 1.00 0.00 C ATOM 0 H LEU A 104 -5.176 -17.790 -18.980 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.747 -19.692 -17.442 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.975 -16.973 -18.563 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.843 -18.148 -17.926 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.618 -18.553 -20.349 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.510 -18.418 -21.619 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.853 -16.908 -20.742 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.636 -18.044 -20.114 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.266 -20.572 -20.735 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.417 -20.291 -19.197 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.159 -20.654 -19.198 1.00 0.00 H new ATOM 1717 N ALA A 105 -4.392 -16.777 -16.069 1.00 0.00 N ATOM 1718 CA ALA A 105 -4.388 -16.032 -14.820 1.00 0.00 C ATOM 1719 C ALA A 105 -5.313 -16.669 -13.786 1.00 0.00 C ATOM 1720 O ALA A 105 -5.152 -16.458 -12.583 1.00 0.00 O ATOM 1721 CB ALA A 105 -4.786 -14.584 -15.069 1.00 0.00 C ATOM 0 H ALA A 105 -4.858 -16.300 -16.841 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.375 -16.057 -14.418 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.779 -14.037 -14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.078 -14.126 -15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.786 -14.551 -15.500 1.00 0.00 H new