USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 782 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 70 HIS : +bothHN:sc= 0.288 K(o=0.19,f=-12!) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.0957 K(o=0.19,f=-2.9!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= 0.321 K(o=0.014,f=-3.1) USER MOD Set 2.2: A 62 GLN : amide:sc= -0.307 K(o=0.014,f=-1.2) USER MOD Set 3.1: A 21 SER OG : rot 180:sc= -0.0963 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.0661 USER MOD Set 4.1: A 9 SER OG : rot -60:sc= 0.287 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -0.582 K(o=-0.29,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -48:sc= 0.456 USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= -0.982 (180deg=-3.11!) USER MOD Single : A 6 GLN : amide:sc= -0.942 X(o=-0.94,f=-1.3!) USER MOD Single : A 7 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.13) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00892 USER MOD Single : A 10 GLN :FLIP amide:sc= 0.00591 F(o=-0.71,f=0.0059) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.881 (180deg=0.835) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.08) USER MOD Single : A 24 SER OG : rot 32:sc= 0.1 USER MOD Single : A 27 ASN :FLIP amide:sc= -2.77! C(o=-5!,f=-2.8!) USER MOD Single : A 33 TYR OH : rot 99:sc= -0.0303 USER MOD Single : A 34 GLN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 37 SER OG : rot 87:sc= 0.28 USER MOD Single : A 38 ASN : amide:sc= -8! C(o=-8!,f=-11!) USER MOD Single : A 40 GLN : amide:sc= 0.047 X(o=0.047,f=0) USER MOD Single : A 44 SER OG : rot 95:sc= 0.0234 USER MOD Single : A 64 ASN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 67 MET CE :methyl 140:sc= -0.145 (180deg=-0.742) USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= -0.221 (180deg=-0.312) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0.472 (180deg=0.452) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 1.07 (180deg=1.02) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.162 -3.496 -7.466 1.00 0.00 N ATOM 2 CA GLY A 1 26.968 -3.383 -6.596 1.00 0.00 C ATOM 3 C GLY A 1 27.125 -2.301 -5.551 1.00 0.00 C ATOM 4 O GLY A 1 26.255 -1.442 -5.405 1.00 0.00 O ATOM 0 H1 GLY A 1 28.011 -4.249 -8.167 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.321 -2.593 -7.957 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.994 -3.725 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.092 -3.170 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.787 -4.338 -6.103 1.00 0.00 H new ATOM 10 N SER A 2 28.242 -2.347 -4.822 1.00 0.00 N ATOM 11 CA SER A 2 28.537 -1.371 -3.778 1.00 0.00 C ATOM 12 C SER A 2 27.477 -1.442 -2.676 1.00 0.00 C ATOM 13 O SER A 2 27.116 -0.433 -2.066 1.00 0.00 O ATOM 14 CB SER A 2 28.628 0.046 -4.372 1.00 0.00 C ATOM 15 OG SER A 2 29.070 0.986 -3.406 1.00 0.00 O ATOM 0 H SER A 2 28.963 -3.059 -4.940 1.00 0.00 H new ATOM 0 HA SER A 2 29.505 -1.609 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.314 0.043 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.652 0.346 -4.753 1.00 0.00 H new ATOM 0 HG SER A 2 28.556 0.872 -2.579 1.00 0.00 H new ATOM 21 N GLU A 3 26.991 -2.649 -2.428 1.00 0.00 N ATOM 22 CA GLU A 3 25.973 -2.887 -1.417 1.00 0.00 C ATOM 23 C GLU A 3 26.229 -4.231 -0.751 1.00 0.00 C ATOM 24 O GLU A 3 26.343 -5.255 -1.433 1.00 0.00 O ATOM 25 CB GLU A 3 24.570 -2.866 -2.047 1.00 0.00 C ATOM 26 CG GLU A 3 23.439 -3.106 -1.057 1.00 0.00 C ATOM 27 CD GLU A 3 22.090 -3.246 -1.737 1.00 0.00 C ATOM 28 OE1 GLU A 3 21.863 -4.280 -2.403 1.00 0.00 O ATOM 29 OE2 GLU A 3 21.254 -2.322 -1.618 1.00 0.00 O ATOM 0 H GLU A 3 27.291 -3.490 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 3 26.022 -2.096 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.416 -1.902 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.523 -3.626 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.648 -4.009 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 3 23.400 -2.279 -0.347 1.00 0.00 H new ATOM 36 N LYS A 4 26.351 -4.225 0.570 1.00 0.00 N ATOM 37 CA LYS A 4 26.556 -5.455 1.322 1.00 0.00 C ATOM 38 C LYS A 4 25.250 -6.238 1.374 1.00 0.00 C ATOM 39 O LYS A 4 24.446 -6.073 2.296 1.00 0.00 O ATOM 40 CB LYS A 4 27.044 -5.155 2.743 1.00 0.00 C ATOM 41 CG LYS A 4 28.259 -4.237 2.807 1.00 0.00 C ATOM 42 CD LYS A 4 29.447 -4.769 2.011 1.00 0.00 C ATOM 43 CE LYS A 4 30.177 -5.905 2.720 1.00 0.00 C ATOM 44 NZ LYS A 4 29.394 -7.171 2.741 1.00 0.00 N ATOM 0 H LYS A 4 26.311 -3.382 1.143 1.00 0.00 H new ATOM 0 HA LYS A 4 27.321 -6.048 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 4 26.229 -4.700 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.287 -6.095 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.985 -3.253 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.555 -4.106 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 4 29.099 -5.119 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 4 30.147 -3.954 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 4 31.132 -6.082 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 4 30.400 -5.604 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.034 -7.977 2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 28.921 -7.271 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 28.680 -7.150 1.985 1.00 0.00 H new ATOM 58 N ARG A 5 25.041 -7.078 0.375 1.00 0.00 N ATOM 59 CA ARG A 5 23.775 -7.762 0.204 1.00 0.00 C ATOM 60 C ARG A 5 23.596 -8.909 1.187 1.00 0.00 C ATOM 61 O ARG A 5 24.550 -9.407 1.785 1.00 0.00 O ATOM 62 CB ARG A 5 23.643 -8.273 -1.227 1.00 0.00 C ATOM 63 CG ARG A 5 23.525 -7.154 -2.247 1.00 0.00 C ATOM 64 CD ARG A 5 23.330 -7.685 -3.657 1.00 0.00 C ATOM 65 NE ARG A 5 23.083 -6.600 -4.604 1.00 0.00 N ATOM 66 CZ ARG A 5 22.309 -6.705 -5.682 1.00 0.00 C ATOM 67 NH1 ARG A 5 21.736 -7.863 -5.992 1.00 0.00 N ATOM 68 NH2 ARG A 5 22.105 -5.644 -6.451 1.00 0.00 N ATOM 0 H ARG A 5 25.739 -7.303 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 5 22.988 -7.036 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 5 24.510 -8.888 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 5 22.766 -8.916 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 5 22.686 -6.510 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 5 24.423 -6.537 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 5 24.215 -8.243 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 5 22.492 -8.382 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 5 23.534 -5.702 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 5 21.888 -8.681 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 5 21.145 -7.934 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 5 22.540 -4.752 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 5 21.513 -5.720 -7.278 1.00 0.00 H new ATOM 82 N GLN A 6 22.351 -9.317 1.324 1.00 0.00 N ATOM 83 CA GLN A 6 21.959 -10.383 2.223 1.00 0.00 C ATOM 84 C GLN A 6 20.737 -11.071 1.641 1.00 0.00 C ATOM 85 O GLN A 6 20.380 -10.819 0.489 1.00 0.00 O ATOM 86 CB GLN A 6 21.654 -9.826 3.618 1.00 0.00 C ATOM 87 CG GLN A 6 20.596 -8.734 3.624 1.00 0.00 C ATOM 88 CD GLN A 6 20.296 -8.203 5.014 1.00 0.00 C ATOM 89 OE1 GLN A 6 19.177 -7.775 5.295 1.00 0.00 O ATOM 90 NE2 GLN A 6 21.289 -8.220 5.891 1.00 0.00 N ATOM 0 H GLN A 6 21.571 -8.911 0.806 1.00 0.00 H new ATOM 0 HA GLN A 6 22.773 -11.100 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 6 21.324 -10.642 4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 6 22.573 -9.431 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 6 20.928 -7.911 2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.678 -9.124 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 6 22.203 -8.583 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.140 -7.870 6.837 1.00 0.00 H new ATOM 99 N HIS A 7 20.074 -11.906 2.421 1.00 0.00 N ATOM 100 CA HIS A 7 18.904 -12.612 1.924 1.00 0.00 C ATOM 101 C HIS A 7 17.652 -11.759 2.126 1.00 0.00 C ATOM 102 O HIS A 7 16.634 -12.225 2.632 1.00 0.00 O ATOM 103 CB HIS A 7 18.752 -13.975 2.610 1.00 0.00 C ATOM 104 CG HIS A 7 17.814 -14.901 1.896 1.00 0.00 C ATOM 105 ND1 HIS A 7 16.559 -15.217 2.366 1.00 0.00 N ATOM 106 CD2 HIS A 7 17.955 -15.575 0.730 1.00 0.00 C ATOM 107 CE1 HIS A 7 15.972 -16.044 1.525 1.00 0.00 C ATOM 108 NE2 HIS A 7 16.795 -16.276 0.525 1.00 0.00 N ATOM 0 H HIS A 7 20.320 -12.111 3.389 1.00 0.00 H new ATOM 0 HA HIS A 7 19.036 -12.791 0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 7 19.731 -14.448 2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.395 -13.823 3.629 1.00 0.00 H new ATOM 0 HD2 HIS A 7 18.819 -15.563 0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 7 14.982 -16.461 1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 7 16.601 -16.880 -0.274 1.00 0.00 H new ATOM 117 N SER A 8 17.746 -10.500 1.726 1.00 0.00 N ATOM 118 CA SER A 8 16.622 -9.583 1.803 1.00 0.00 C ATOM 119 C SER A 8 15.900 -9.529 0.464 1.00 0.00 C ATOM 120 O SER A 8 14.951 -8.763 0.278 1.00 0.00 O ATOM 121 CB SER A 8 17.107 -8.194 2.213 1.00 0.00 C ATOM 122 OG SER A 8 18.232 -7.796 1.444 1.00 0.00 O ATOM 0 H SER A 8 18.597 -10.089 1.342 1.00 0.00 H new ATOM 0 HA SER A 8 15.921 -9.939 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.301 -7.472 2.084 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.368 -8.195 3.271 1.00 0.00 H new ATOM 0 HG SER A 8 18.521 -6.903 1.725 1.00 0.00 H new ATOM 128 N SER A 9 16.356 -10.359 -0.465 1.00 0.00 N ATOM 129 CA SER A 9 15.745 -10.458 -1.778 1.00 0.00 C ATOM 130 C SER A 9 14.519 -11.364 -1.721 1.00 0.00 C ATOM 131 O SER A 9 14.403 -12.329 -2.474 1.00 0.00 O ATOM 132 CB SER A 9 16.757 -10.998 -2.787 1.00 0.00 C ATOM 133 OG SER A 9 17.938 -10.212 -2.797 1.00 0.00 O ATOM 0 H SER A 9 17.155 -10.978 -0.328 1.00 0.00 H new ATOM 0 HA SER A 9 15.429 -9.464 -2.096 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.006 -12.030 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.313 -11.006 -3.783 1.00 0.00 H new ATOM 0 HG SER A 9 17.715 -9.289 -3.040 1.00 0.00 H new ATOM 139 N GLN A 10 13.610 -11.046 -0.812 1.00 0.00 N ATOM 140 CA GLN A 10 12.373 -11.795 -0.657 1.00 0.00 C ATOM 141 C GLN A 10 11.268 -11.131 -1.466 1.00 0.00 C ATOM 142 O GLN A 10 10.078 -11.318 -1.193 1.00 0.00 O ATOM 143 CB GLN A 10 11.980 -11.861 0.818 1.00 0.00 C ATOM 144 CG GLN A 10 12.994 -12.595 1.682 1.00 0.00 C ATOM 145 CD GLN A 10 12.689 -12.502 3.167 1.00 0.00 C ATOM 146 OE1 GLN A 10 11.415 -12.406 3.508 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 13.593 -12.523 4.004 1.00 0.00 N flip ATOM 0 H GLN A 10 13.708 -10.265 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 10 12.521 -12.811 -1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.856 -10.847 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.013 -12.356 0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.021 -13.644 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.987 -12.185 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.565 -12.598 3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.370 -12.465 4.998 1.00 0.00 H new ATOM 156 N ASP A 11 11.694 -10.354 -2.463 1.00 0.00 N ATOM 157 CA ASP A 11 10.807 -9.579 -3.314 1.00 0.00 C ATOM 158 C ASP A 11 10.051 -8.533 -2.514 1.00 0.00 C ATOM 159 O ASP A 11 10.167 -8.459 -1.289 1.00 0.00 O ATOM 160 CB ASP A 11 9.852 -10.497 -4.065 1.00 0.00 C ATOM 161 CG ASP A 11 10.592 -11.423 -5.007 1.00 0.00 C ATOM 162 OD1 ASP A 11 11.422 -10.926 -5.799 1.00 0.00 O ATOM 163 OD2 ASP A 11 10.375 -12.650 -4.935 1.00 0.00 O ATOM 0 H ASP A 11 12.680 -10.248 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 11 11.416 -9.050 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.277 -11.087 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.139 -9.897 -4.630 1.00 0.00 H new ATOM 168 N VAL A 12 9.306 -7.698 -3.207 1.00 0.00 N ATOM 169 CA VAL A 12 8.581 -6.629 -2.556 1.00 0.00 C ATOM 170 C VAL A 12 7.101 -6.726 -2.869 1.00 0.00 C ATOM 171 O VAL A 12 6.661 -6.361 -3.956 1.00 0.00 O ATOM 172 CB VAL A 12 9.072 -5.254 -3.004 1.00 0.00 C ATOM 173 CG1 VAL A 12 8.734 -4.188 -1.973 1.00 0.00 C ATOM 174 CG2 VAL A 12 10.557 -5.268 -3.333 1.00 0.00 C ATOM 0 H VAL A 12 9.187 -7.739 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 12 8.754 -6.739 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 12 8.545 -5.000 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.096 -3.220 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.654 -4.144 -1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.210 -4.435 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.869 -4.272 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.123 -5.563 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.745 -5.978 -4.138 1.00 0.00 H new ATOM 184 N HIS A 13 6.336 -7.226 -1.923 1.00 0.00 N ATOM 185 CA HIS A 13 4.893 -7.223 -2.042 1.00 0.00 C ATOM 186 C HIS A 13 4.326 -6.280 -1.003 1.00 0.00 C ATOM 187 O HIS A 13 4.257 -6.603 0.184 1.00 0.00 O ATOM 188 CB HIS A 13 4.329 -8.637 -1.868 1.00 0.00 C ATOM 189 CG HIS A 13 4.842 -9.611 -2.886 1.00 0.00 C ATOM 190 ND1 HIS A 13 5.603 -10.711 -2.557 1.00 0.00 N ATOM 191 CD2 HIS A 13 4.697 -9.646 -4.232 1.00 0.00 C ATOM 192 CE1 HIS A 13 5.905 -11.378 -3.656 1.00 0.00 C ATOM 193 NE2 HIS A 13 5.368 -10.754 -4.686 1.00 0.00 N ATOM 0 H HIS A 13 6.690 -7.641 -1.061 1.00 0.00 H new ATOM 0 HA HIS A 13 4.607 -6.883 -3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.578 -9.000 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.242 -8.597 -1.930 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.154 -8.934 -4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.493 -12.283 -3.703 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.440 -11.047 -5.660 1.00 0.00 H new ATOM 202 N VAL A 14 3.929 -5.109 -1.457 1.00 0.00 N ATOM 203 CA VAL A 14 3.496 -4.056 -0.562 1.00 0.00 C ATOM 204 C VAL A 14 2.027 -3.725 -0.768 1.00 0.00 C ATOM 205 O VAL A 14 1.613 -3.240 -1.824 1.00 0.00 O ATOM 206 CB VAL A 14 4.366 -2.784 -0.713 1.00 0.00 C ATOM 207 CG1 VAL A 14 5.656 -2.935 0.078 1.00 0.00 C ATOM 208 CG2 VAL A 14 4.680 -2.509 -2.175 1.00 0.00 C ATOM 0 H VAL A 14 3.897 -4.862 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 14 3.622 -4.429 0.454 1.00 0.00 H new ATOM 0 HB VAL A 14 3.802 -1.938 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.260 -2.035 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.421 -3.084 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.213 -3.795 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.292 -1.610 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.223 -3.355 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.751 -2.364 -2.726 1.00 0.00 H new ATOM 218 N VAL A 15 1.237 -4.020 0.247 1.00 0.00 N ATOM 219 CA VAL A 15 -0.174 -3.706 0.222 1.00 0.00 C ATOM 220 C VAL A 15 -0.388 -2.252 0.574 1.00 0.00 C ATOM 221 O VAL A 15 0.149 -1.747 1.560 1.00 0.00 O ATOM 222 CB VAL A 15 -0.977 -4.612 1.186 1.00 0.00 C ATOM 223 CG1 VAL A 15 -0.502 -4.432 2.622 1.00 0.00 C ATOM 224 CG2 VAL A 15 -2.470 -4.338 1.071 1.00 0.00 C ATOM 0 H VAL A 15 1.553 -4.479 1.102 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.539 -3.891 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.801 -5.649 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.081 -5.079 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.554 -4.695 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.638 -3.393 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.013 -4.987 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.669 -3.296 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.798 -4.535 0.050 1.00 0.00 H new ATOM 234 N LEU A 16 -1.134 -1.573 -0.265 1.00 0.00 N ATOM 235 CA LEU A 16 -1.486 -0.204 -0.016 1.00 0.00 C ATOM 236 C LEU A 16 -2.994 -0.084 0.062 1.00 0.00 C ATOM 237 O LEU A 16 -3.707 -0.326 -0.911 1.00 0.00 O ATOM 238 CB LEU A 16 -0.916 0.706 -1.103 1.00 0.00 C ATOM 239 CG LEU A 16 -0.963 2.190 -0.765 1.00 0.00 C ATOM 240 CD1 LEU A 16 0.159 2.936 -1.461 1.00 0.00 C ATOM 241 CD2 LEU A 16 -2.306 2.794 -1.149 1.00 0.00 C ATOM 0 H LEU A 16 -1.510 -1.955 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.056 0.114 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.119 0.421 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.468 0.538 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.834 2.289 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.106 3.994 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.119 2.533 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.060 2.818 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.313 3.854 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.466 2.674 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.102 2.286 -0.605 1.00 0.00 H new ATOM 253 N LYS A 17 -3.476 0.272 1.228 1.00 0.00 N ATOM 254 CA LYS A 17 -4.897 0.363 1.451 1.00 0.00 C ATOM 255 C LYS A 17 -5.323 1.827 1.468 1.00 0.00 C ATOM 256 O LYS A 17 -4.611 2.681 1.998 1.00 0.00 O ATOM 257 CB LYS A 17 -5.262 -0.361 2.755 1.00 0.00 C ATOM 258 CG LYS A 17 -4.763 -1.799 2.796 1.00 0.00 C ATOM 259 CD LYS A 17 -4.969 -2.413 4.166 1.00 0.00 C ATOM 260 CE LYS A 17 -4.451 -3.846 4.233 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.296 -4.818 3.485 1.00 0.00 N ATOM 0 H LYS A 17 -2.902 0.504 2.039 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.436 -0.126 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.843 0.188 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.345 -0.354 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.289 -2.391 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.704 -1.827 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.459 -1.808 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.030 -2.399 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.437 -3.876 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.393 -4.155 5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.879 -5.768 3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.254 -4.829 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.346 -4.537 2.485 1.00 0.00 H new ATOM 275 N LEU A 18 -6.483 2.098 0.889 1.00 0.00 N ATOM 276 CA LEU A 18 -6.991 3.458 0.753 1.00 0.00 C ATOM 277 C LEU A 18 -8.000 3.713 1.852 1.00 0.00 C ATOM 278 O LEU A 18 -8.925 2.923 2.066 1.00 0.00 O ATOM 279 CB LEU A 18 -7.626 3.625 -0.645 1.00 0.00 C ATOM 280 CG LEU A 18 -8.976 4.363 -0.737 1.00 0.00 C ATOM 281 CD1 LEU A 18 -8.848 5.853 -0.466 1.00 0.00 C ATOM 282 CD2 LEU A 18 -9.585 4.141 -2.109 1.00 0.00 C ATOM 0 H LEU A 18 -7.099 1.384 0.500 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.184 4.184 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.912 4.153 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.757 2.632 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.624 3.951 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.829 6.323 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.450 6.008 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.173 6.299 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.540 4.664 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.910 4.525 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.744 3.074 -2.268 1.00 0.00 H new ATOM 294 N TRP A 19 -7.787 4.796 2.570 1.00 0.00 N ATOM 295 CA TRP A 19 -8.582 5.114 3.733 1.00 0.00 C ATOM 296 C TRP A 19 -9.335 6.415 3.524 1.00 0.00 C ATOM 297 O TRP A 19 -9.291 7.006 2.448 1.00 0.00 O ATOM 298 CB TRP A 19 -7.687 5.255 4.960 1.00 0.00 C ATOM 299 CG TRP A 19 -6.696 4.157 5.146 1.00 0.00 C ATOM 300 CD1 TRP A 19 -5.357 4.254 4.946 1.00 0.00 C ATOM 301 CD2 TRP A 19 -6.946 2.814 5.567 1.00 0.00 C ATOM 302 NE1 TRP A 19 -4.749 3.081 5.275 1.00 0.00 N ATOM 303 CE2 TRP A 19 -5.700 2.179 5.648 1.00 0.00 C ATOM 304 CE3 TRP A 19 -8.091 2.092 5.901 1.00 0.00 C ATOM 305 CZ2 TRP A 19 -5.559 0.869 6.048 1.00 0.00 C ATOM 306 CZ3 TRP A 19 -7.954 0.776 6.291 1.00 0.00 C ATOM 307 CH2 TRP A 19 -6.693 0.177 6.367 1.00 0.00 C ATOM 0 H TRP A 19 -7.058 5.479 2.362 1.00 0.00 H new ATOM 0 HA TRP A 19 -9.294 4.303 3.887 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -7.150 6.201 4.893 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.318 5.309 5.847 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -4.848 5.133 4.579 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.745 2.906 5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -9.066 2.554 5.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -4.586 0.405 6.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -8.833 0.200 6.541 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -6.614 -0.852 6.684 1.00 0.00 H new ATOM 318 N LYS A 20 -10.010 6.867 4.563 1.00 0.00 N ATOM 319 CA LYS A 20 -10.724 8.130 4.508 1.00 0.00 C ATOM 320 C LYS A 20 -9.777 9.315 4.623 1.00 0.00 C ATOM 321 O LYS A 20 -10.063 10.401 4.123 1.00 0.00 O ATOM 322 CB LYS A 20 -11.797 8.194 5.601 1.00 0.00 C ATOM 323 CG LYS A 20 -11.469 7.401 6.870 1.00 0.00 C ATOM 324 CD LYS A 20 -10.313 7.983 7.679 1.00 0.00 C ATOM 325 CE LYS A 20 -10.776 9.072 8.636 1.00 0.00 C ATOM 326 NZ LYS A 20 -9.873 9.184 9.815 1.00 0.00 N ATOM 0 H LYS A 20 -10.080 6.379 5.456 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.212 8.188 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.957 9.237 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.736 7.824 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.357 7.360 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.226 6.375 6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.829 7.186 8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.565 8.392 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.812 10.027 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.790 8.855 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.080 10.064 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.023 8.371 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.884 9.195 9.495 1.00 0.00 H new ATOM 340 N SER A 21 -8.648 9.099 5.268 1.00 0.00 N ATOM 341 CA SER A 21 -7.703 10.170 5.497 1.00 0.00 C ATOM 342 C SER A 21 -6.482 10.004 4.608 1.00 0.00 C ATOM 343 O SER A 21 -5.997 10.971 4.032 1.00 0.00 O ATOM 344 CB SER A 21 -7.293 10.204 6.969 1.00 0.00 C ATOM 345 OG SER A 21 -6.477 11.323 7.253 1.00 0.00 O ATOM 0 H SER A 21 -8.364 8.193 5.642 1.00 0.00 H new ATOM 0 HA SER A 21 -8.182 11.116 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.184 10.234 7.596 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.757 9.288 7.220 1.00 0.00 H new ATOM 0 HG SER A 21 -6.233 11.317 8.202 1.00 0.00 H new ATOM 351 N GLY A 22 -5.998 8.774 4.477 1.00 0.00 N ATOM 352 CA GLY A 22 -4.793 8.542 3.711 1.00 0.00 C ATOM 353 C GLY A 22 -4.652 7.115 3.243 1.00 0.00 C ATOM 354 O GLY A 22 -5.637 6.459 2.926 1.00 0.00 O ATOM 0 H GLY A 22 -6.417 7.939 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.788 9.204 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.927 8.805 4.319 1.00 0.00 H new ATOM 358 N PHE A 23 -3.419 6.638 3.200 1.00 0.00 N ATOM 359 CA PHE A 23 -3.122 5.306 2.697 1.00 0.00 C ATOM 360 C PHE A 23 -2.071 4.630 3.572 1.00 0.00 C ATOM 361 O PHE A 23 -1.188 5.288 4.113 1.00 0.00 O ATOM 362 CB PHE A 23 -2.645 5.396 1.244 1.00 0.00 C ATOM 363 CG PHE A 23 -1.435 6.268 1.065 1.00 0.00 C ATOM 364 CD1 PHE A 23 -0.165 5.749 1.238 1.00 0.00 C ATOM 365 CD2 PHE A 23 -1.567 7.609 0.740 1.00 0.00 C ATOM 366 CE1 PHE A 23 0.946 6.548 1.095 1.00 0.00 C ATOM 367 CE2 PHE A 23 -0.459 8.412 0.593 1.00 0.00 C ATOM 368 CZ PHE A 23 0.799 7.882 0.772 1.00 0.00 C ATOM 0 H PHE A 23 -2.599 7.160 3.511 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.028 4.701 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.418 4.393 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.456 5.782 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.044 4.705 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.552 8.029 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.933 6.132 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.576 9.455 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.671 8.510 0.660 1.00 0.00 H new ATOM 378 N SER A 24 -2.191 3.325 3.726 1.00 0.00 N ATOM 379 CA SER A 24 -1.230 2.554 4.504 1.00 0.00 C ATOM 380 C SER A 24 -0.562 1.526 3.620 1.00 0.00 C ATOM 381 O SER A 24 -1.227 0.835 2.850 1.00 0.00 O ATOM 382 CB SER A 24 -1.923 1.862 5.687 1.00 0.00 C ATOM 383 OG SER A 24 -1.015 1.108 6.476 1.00 0.00 O ATOM 0 H SER A 24 -2.947 2.771 3.322 1.00 0.00 H new ATOM 0 HA SER A 24 -0.474 3.234 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.407 2.613 6.312 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.708 1.205 5.312 1.00 0.00 H new ATOM 0 HG SER A 24 -0.135 1.540 6.465 1.00 0.00 H new ATOM 389 N LEU A 25 0.748 1.434 3.740 1.00 0.00 N ATOM 390 CA LEU A 25 1.522 0.503 2.947 1.00 0.00 C ATOM 391 C LEU A 25 2.041 -0.596 3.855 1.00 0.00 C ATOM 392 O LEU A 25 1.900 -0.495 5.071 1.00 0.00 O ATOM 393 CB LEU A 25 2.707 1.197 2.247 1.00 0.00 C ATOM 394 CG LEU A 25 2.529 2.681 1.881 1.00 0.00 C ATOM 395 CD1 LEU A 25 2.822 3.589 3.071 1.00 0.00 C ATOM 396 CD2 LEU A 25 3.408 3.059 0.694 1.00 0.00 C ATOM 0 H LEU A 25 1.301 1.998 4.385 1.00 0.00 H new ATOM 0 HA LEU A 25 0.877 0.090 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.581 1.110 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.930 0.647 1.333 1.00 0.00 H new ATOM 0 HG LEU A 25 1.486 2.824 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.686 4.630 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.140 3.351 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.850 3.436 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.264 4.113 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.454 2.884 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.136 2.451 -0.169 1.00 0.00 H new ATOM 408 N ASP A 26 2.647 -1.627 3.291 1.00 0.00 N ATOM 409 CA ASP A 26 3.191 -2.719 4.099 1.00 0.00 C ATOM 410 C ASP A 26 4.216 -2.190 5.106 1.00 0.00 C ATOM 411 O ASP A 26 4.380 -2.740 6.196 1.00 0.00 O ATOM 412 CB ASP A 26 3.839 -3.778 3.202 1.00 0.00 C ATOM 413 CG ASP A 26 4.264 -5.016 3.971 1.00 0.00 C ATOM 414 OD1 ASP A 26 5.399 -5.048 4.482 1.00 0.00 O ATOM 415 OD2 ASP A 26 3.456 -5.964 4.072 1.00 0.00 O ATOM 0 H ASP A 26 2.777 -1.736 2.285 1.00 0.00 H new ATOM 0 HA ASP A 26 2.368 -3.176 4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.137 -4.065 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.709 -3.346 2.707 1.00 0.00 H new ATOM 420 N ASN A 27 4.859 -1.083 4.753 1.00 0.00 N ATOM 421 CA ASN A 27 5.940 -0.523 5.558 1.00 0.00 C ATOM 422 C ASN A 27 5.421 0.326 6.718 1.00 0.00 C ATOM 423 O ASN A 27 6.009 0.327 7.802 1.00 0.00 O ATOM 424 CB ASN A 27 6.877 0.329 4.678 1.00 0.00 C ATOM 425 CG ASN A 27 6.166 1.538 4.069 1.00 0.00 C ATOM 426 OD1 ASN A 27 5.626 1.380 2.867 1.00 0.00 O flip ATOM 427 ND2 ASN A 27 6.106 2.607 4.670 1.00 0.00 N flip ATOM 0 H ASN A 27 4.649 -0.552 3.908 1.00 0.00 H new ATOM 0 HA ASN A 27 6.489 -1.365 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.721 0.671 5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.283 -0.291 3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.531 2.698 5.593 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.631 3.404 4.246 1.00 0.00 H new ATOM 434 N GLY A 28 4.324 1.035 6.505 1.00 0.00 N ATOM 435 CA GLY A 28 3.888 1.996 7.492 1.00 0.00 C ATOM 436 C GLY A 28 2.407 1.939 7.770 1.00 0.00 C ATOM 437 O GLY A 28 1.745 0.936 7.500 1.00 0.00 O ATOM 0 H GLY A 28 3.734 0.963 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.431 1.824 8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.148 2.998 7.152 1.00 0.00 H new ATOM 441 N GLU A 29 1.891 3.029 8.302 1.00 0.00 N ATOM 442 CA GLU A 29 0.501 3.114 8.701 1.00 0.00 C ATOM 443 C GLU A 29 -0.264 4.050 7.773 1.00 0.00 C ATOM 444 O GLU A 29 0.249 4.440 6.723 1.00 0.00 O ATOM 445 CB GLU A 29 0.411 3.594 10.153 1.00 0.00 C ATOM 446 CG GLU A 29 1.120 2.667 11.130 1.00 0.00 C ATOM 447 CD GLU A 29 1.124 3.190 12.551 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.944 4.079 12.862 1.00 0.00 O ATOM 449 OE2 GLU A 29 0.329 2.693 13.375 1.00 0.00 O ATOM 0 H GLU A 29 2.425 3.882 8.470 1.00 0.00 H new ATOM 0 HA GLU A 29 0.047 2.126 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.844 4.592 10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.638 3.679 10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.637 1.690 11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.149 2.520 10.801 1.00 0.00 H new ATOM 456 N LEU A 30 -1.496 4.376 8.145 1.00 0.00 N ATOM 457 CA LEU A 30 -2.319 5.297 7.382 1.00 0.00 C ATOM 458 C LEU A 30 -1.640 6.667 7.336 1.00 0.00 C ATOM 459 O LEU A 30 -1.584 7.385 8.332 1.00 0.00 O ATOM 460 CB LEU A 30 -3.725 5.357 8.030 1.00 0.00 C ATOM 461 CG LEU A 30 -4.836 6.153 7.311 1.00 0.00 C ATOM 462 CD1 LEU A 30 -6.135 6.093 8.088 1.00 0.00 C ATOM 463 CD2 LEU A 30 -4.468 7.592 7.114 1.00 0.00 C ATOM 0 H LEU A 30 -1.949 4.009 8.982 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.435 4.959 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.077 4.333 8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.611 5.776 9.030 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.960 5.686 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.901 6.661 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.454 5.055 8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.986 6.519 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.281 8.109 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.292 8.059 8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.563 7.657 6.511 1.00 0.00 H new ATOM 475 N ARG A 31 -1.095 6.991 6.177 1.00 0.00 N ATOM 476 CA ARG A 31 -0.529 8.300 5.923 1.00 0.00 C ATOM 477 C ARG A 31 -1.524 9.135 5.123 1.00 0.00 C ATOM 478 O ARG A 31 -1.853 8.794 3.988 1.00 0.00 O ATOM 479 CB ARG A 31 0.803 8.165 5.177 1.00 0.00 C ATOM 480 CG ARG A 31 1.943 7.675 6.054 1.00 0.00 C ATOM 481 CD ARG A 31 3.289 7.712 5.333 1.00 0.00 C ATOM 482 NE ARG A 31 4.406 7.777 6.282 1.00 0.00 N ATOM 483 CZ ARG A 31 5.593 7.183 6.109 1.00 0.00 C ATOM 484 NH1 ARG A 31 5.819 6.424 5.041 1.00 0.00 N ATOM 485 NH2 ARG A 31 6.558 7.356 7.007 1.00 0.00 N ATOM 0 H ARG A 31 -1.033 6.351 5.385 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.332 8.803 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.675 7.475 4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.072 9.132 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.998 8.291 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.736 6.655 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.393 6.825 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.324 8.576 4.669 1.00 0.00 H new ATOM 0 HE ARG A 31 4.268 8.315 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.085 6.291 4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.727 5.975 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.393 7.941 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.463 6.904 6.877 1.00 0.00 H new ATOM 499 N SER A 32 -2.003 10.218 5.730 1.00 0.00 N ATOM 500 CA SER A 32 -3.099 11.018 5.181 1.00 0.00 C ATOM 501 C SER A 32 -2.734 11.658 3.836 1.00 0.00 C ATOM 502 O SER A 32 -1.576 11.990 3.584 1.00 0.00 O ATOM 503 CB SER A 32 -3.492 12.097 6.191 1.00 0.00 C ATOM 504 OG SER A 32 -3.224 11.669 7.521 1.00 0.00 O ATOM 0 H SER A 32 -1.643 10.568 6.618 1.00 0.00 H new ATOM 0 HA SER A 32 -3.942 10.352 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.942 13.014 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.552 12.330 6.086 1.00 0.00 H new ATOM 0 HG SER A 32 -3.482 12.375 8.150 1.00 0.00 H new ATOM 510 N TYR A 33 -3.742 11.842 2.985 1.00 0.00 N ATOM 511 CA TYR A 33 -3.561 12.414 1.649 1.00 0.00 C ATOM 512 C TYR A 33 -3.337 13.925 1.729 1.00 0.00 C ATOM 513 O TYR A 33 -3.972 14.693 1.005 1.00 0.00 O ATOM 514 CB TYR A 33 -4.793 12.142 0.774 1.00 0.00 C ATOM 515 CG TYR A 33 -5.140 10.679 0.597 1.00 0.00 C ATOM 516 CD1 TYR A 33 -4.220 9.791 0.064 1.00 0.00 C ATOM 517 CD2 TYR A 33 -6.394 10.190 0.958 1.00 0.00 C ATOM 518 CE1 TYR A 33 -4.532 8.458 -0.105 1.00 0.00 C ATOM 519 CE2 TYR A 33 -6.715 8.855 0.792 1.00 0.00 C ATOM 520 CZ TYR A 33 -5.774 7.995 0.257 1.00 0.00 C ATOM 521 OH TYR A 33 -6.065 6.663 0.091 1.00 0.00 O ATOM 0 H TYR A 33 -4.709 11.599 3.201 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.685 11.942 1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.651 12.653 1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.626 12.582 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.242 10.148 -0.224 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.127 10.865 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.802 7.780 -0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.690 8.488 1.077 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.949 6.194 0.944 1.00 0.00 H new ATOM 531 N GLN A 34 -2.437 14.344 2.608 1.00 0.00 N ATOM 532 CA GLN A 34 -2.212 15.761 2.871 1.00 0.00 C ATOM 533 C GLN A 34 -0.727 16.040 3.080 1.00 0.00 C ATOM 534 O GLN A 34 -0.151 16.908 2.421 1.00 0.00 O ATOM 535 CB GLN A 34 -3.008 16.193 4.109 1.00 0.00 C ATOM 536 CG GLN A 34 -4.510 16.026 3.944 1.00 0.00 C ATOM 537 CD GLN A 34 -5.274 16.131 5.250 1.00 0.00 C ATOM 538 OE1 GLN A 34 -6.323 15.507 5.415 1.00 0.00 O ATOM 539 NE2 GLN A 34 -4.761 16.915 6.184 1.00 0.00 N ATOM 0 H GLN A 34 -1.846 13.718 3.155 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.551 16.334 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.676 15.610 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.787 17.238 4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.879 16.785 3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.713 15.056 3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.890 17.415 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.237 17.019 7.080 1.00 0.00 H new ATOM 548 N ASP A 35 -0.123 15.297 4.003 1.00 0.00 N ATOM 549 CA ASP A 35 1.296 15.446 4.336 1.00 0.00 C ATOM 550 C ASP A 35 2.183 15.294 3.097 1.00 0.00 C ATOM 551 O ASP A 35 2.002 14.372 2.300 1.00 0.00 O ATOM 552 CB ASP A 35 1.688 14.400 5.379 1.00 0.00 C ATOM 553 CG ASP A 35 3.076 14.615 5.945 1.00 0.00 C ATOM 554 OD1 ASP A 35 4.051 14.103 5.359 1.00 0.00 O ATOM 555 OD2 ASP A 35 3.198 15.288 6.990 1.00 0.00 O ATOM 0 H ASP A 35 -0.600 14.575 4.542 1.00 0.00 H new ATOM 0 HA ASP A 35 1.446 16.448 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.963 14.418 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.636 13.409 4.928 1.00 0.00 H new ATOM 560 N PRO A 36 3.160 16.210 2.936 1.00 0.00 N ATOM 561 CA PRO A 36 4.057 16.250 1.768 1.00 0.00 C ATOM 562 C PRO A 36 4.859 14.964 1.564 1.00 0.00 C ATOM 563 O PRO A 36 5.303 14.678 0.451 1.00 0.00 O ATOM 564 CB PRO A 36 5.005 17.416 2.076 1.00 0.00 C ATOM 565 CG PRO A 36 4.275 18.253 3.064 1.00 0.00 C ATOM 566 CD PRO A 36 3.454 17.301 3.881 1.00 0.00 C ATOM 0 HA PRO A 36 3.486 16.366 0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.951 17.059 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.240 17.983 1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.969 18.810 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.641 18.985 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.002 16.942 4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.542 17.770 4.250 1.00 0.00 H new ATOM 574 N SER A 37 5.036 14.184 2.626 1.00 0.00 N ATOM 575 CA SER A 37 5.789 12.944 2.533 1.00 0.00 C ATOM 576 C SER A 37 4.928 11.876 1.878 1.00 0.00 C ATOM 577 O SER A 37 5.423 10.952 1.238 1.00 0.00 O ATOM 578 CB SER A 37 6.212 12.488 3.924 1.00 0.00 C ATOM 579 OG SER A 37 6.832 13.548 4.637 1.00 0.00 O ATOM 0 H SER A 37 4.669 14.390 3.555 1.00 0.00 H new ATOM 0 HA SER A 37 6.681 13.109 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.341 12.134 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.901 11.647 3.842 1.00 0.00 H new ATOM 0 HG SER A 37 6.148 14.075 5.101 1.00 0.00 H new ATOM 585 N ASN A 38 3.628 12.028 2.047 1.00 0.00 N ATOM 586 CA ASN A 38 2.660 11.104 1.479 1.00 0.00 C ATOM 587 C ASN A 38 2.362 11.496 0.044 1.00 0.00 C ATOM 588 O ASN A 38 1.990 10.659 -0.781 1.00 0.00 O ATOM 589 CB ASN A 38 1.385 11.103 2.320 1.00 0.00 C ATOM 590 CG ASN A 38 1.688 10.987 3.801 1.00 0.00 C ATOM 591 OD1 ASN A 38 2.738 10.483 4.197 1.00 0.00 O ATOM 592 ND2 ASN A 38 0.768 11.434 4.632 1.00 0.00 N ATOM 0 H ASN A 38 3.213 12.792 2.580 1.00 0.00 H new ATOM 0 HA ASN A 38 3.073 10.095 1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.826 12.020 2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.748 10.274 2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.915 11.368 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.091 11.846 4.268 1.00 0.00 H new ATOM 599 N ALA A 39 2.548 12.780 -0.245 1.00 0.00 N ATOM 600 CA ALA A 39 2.471 13.287 -1.610 1.00 0.00 C ATOM 601 C ALA A 39 3.478 12.569 -2.497 1.00 0.00 C ATOM 602 O ALA A 39 3.237 12.366 -3.689 1.00 0.00 O ATOM 603 CB ALA A 39 2.732 14.781 -1.635 1.00 0.00 C ATOM 0 H ALA A 39 2.755 13.493 0.454 1.00 0.00 H new ATOM 0 HA ALA A 39 1.467 13.100 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.671 15.144 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.986 15.291 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.726 14.983 -1.237 1.00 0.00 H new ATOM 609 N GLN A 40 4.609 12.193 -1.894 1.00 0.00 N ATOM 610 CA GLN A 40 5.624 11.394 -2.567 1.00 0.00 C ATOM 611 C GLN A 40 4.991 10.185 -3.238 1.00 0.00 C ATOM 612 O GLN A 40 5.083 10.016 -4.451 1.00 0.00 O ATOM 613 CB GLN A 40 6.670 10.910 -1.560 1.00 0.00 C ATOM 614 CG GLN A 40 7.581 9.825 -2.110 1.00 0.00 C ATOM 615 CD GLN A 40 8.356 9.097 -1.028 1.00 0.00 C ATOM 616 OE1 GLN A 40 9.442 9.520 -0.643 1.00 0.00 O ATOM 617 NE2 GLN A 40 7.816 7.985 -0.536 1.00 0.00 N ATOM 0 H GLN A 40 4.842 12.435 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 40 6.101 12.019 -3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.277 11.758 -1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.162 10.532 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.983 9.105 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.283 10.270 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.911 7.662 -0.879 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.307 7.455 0.184 1.00 0.00 H new ATOM 626 N PHE A 41 4.330 9.367 -2.430 1.00 0.00 N ATOM 627 CA PHE A 41 3.718 8.138 -2.907 1.00 0.00 C ATOM 628 C PHE A 41 2.638 8.443 -3.919 1.00 0.00 C ATOM 629 O PHE A 41 2.667 7.927 -5.025 1.00 0.00 O ATOM 630 CB PHE A 41 3.084 7.370 -1.749 1.00 0.00 C ATOM 631 CG PHE A 41 4.004 7.078 -0.606 1.00 0.00 C ATOM 632 CD1 PHE A 41 4.843 5.985 -0.640 1.00 0.00 C ATOM 633 CD2 PHE A 41 4.005 7.890 0.518 1.00 0.00 C ATOM 634 CE1 PHE A 41 5.666 5.705 0.427 1.00 0.00 C ATOM 635 CE2 PHE A 41 4.828 7.616 1.584 1.00 0.00 C ATOM 636 CZ PHE A 41 5.657 6.524 1.539 1.00 0.00 C ATOM 0 H PHE A 41 4.204 9.537 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 41 4.501 7.536 -3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.235 7.942 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.691 6.427 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.855 5.344 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.351 8.749 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.319 4.845 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.822 8.257 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.304 6.304 2.375 1.00 0.00 H new ATOM 646 N LEU A 42 1.691 9.288 -3.524 1.00 0.00 N ATOM 647 CA LEU A 42 0.537 9.604 -4.359 1.00 0.00 C ATOM 648 C LEU A 42 0.948 9.902 -5.797 1.00 0.00 C ATOM 649 O LEU A 42 0.473 9.255 -6.727 1.00 0.00 O ATOM 650 CB LEU A 42 -0.236 10.784 -3.772 1.00 0.00 C ATOM 651 CG LEU A 42 -1.016 10.474 -2.494 1.00 0.00 C ATOM 652 CD1 LEU A 42 -1.680 11.733 -1.955 1.00 0.00 C ATOM 653 CD2 LEU A 42 -2.056 9.392 -2.759 1.00 0.00 C ATOM 0 H LEU A 42 1.701 9.769 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.110 8.727 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.466 11.592 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.933 11.153 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.318 10.107 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.231 11.493 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.918 12.479 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.368 12.130 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.604 9.181 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.751 9.735 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.558 8.485 -3.101 1.00 0.00 H new ATOM 665 N GLU A 43 1.867 10.837 -5.968 1.00 0.00 N ATOM 666 CA GLU A 43 2.315 11.219 -7.298 1.00 0.00 C ATOM 667 C GLU A 43 3.140 10.111 -7.932 1.00 0.00 C ATOM 668 O GLU A 43 2.889 9.728 -9.068 1.00 0.00 O ATOM 669 CB GLU A 43 3.115 12.517 -7.248 1.00 0.00 C ATOM 670 CG GLU A 43 2.242 13.746 -7.080 1.00 0.00 C ATOM 671 CD GLU A 43 1.324 13.965 -8.266 1.00 0.00 C ATOM 672 OE1 GLU A 43 1.773 14.565 -9.267 1.00 0.00 O ATOM 673 OE2 GLU A 43 0.150 13.541 -8.201 1.00 0.00 O ATOM 0 H GLU A 43 2.317 11.345 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 43 1.431 11.383 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.826 12.468 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.697 12.614 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.644 13.643 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.875 14.623 -6.946 1.00 0.00 H new ATOM 680 N SER A 44 4.101 9.584 -7.180 1.00 0.00 N ATOM 681 CA SER A 44 4.956 8.502 -7.655 1.00 0.00 C ATOM 682 C SER A 44 4.136 7.326 -8.175 1.00 0.00 C ATOM 683 O SER A 44 4.386 6.817 -9.266 1.00 0.00 O ATOM 684 CB SER A 44 5.874 8.049 -6.515 1.00 0.00 C ATOM 685 OG SER A 44 7.041 8.853 -6.459 1.00 0.00 O ATOM 0 H SER A 44 4.308 9.893 -6.230 1.00 0.00 H new ATOM 0 HA SER A 44 5.555 8.873 -8.487 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.340 8.108 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.153 7.005 -6.659 1.00 0.00 H new ATOM 0 HG SER A 44 6.910 9.576 -5.810 1.00 0.00 H new ATOM 691 N ILE A 45 3.130 6.937 -7.414 1.00 0.00 N ATOM 692 CA ILE A 45 2.323 5.775 -7.748 1.00 0.00 C ATOM 693 C ILE A 45 1.369 6.098 -8.902 1.00 0.00 C ATOM 694 O ILE A 45 1.030 5.228 -9.703 1.00 0.00 O ATOM 695 CB ILE A 45 1.560 5.263 -6.501 1.00 0.00 C ATOM 696 CG1 ILE A 45 2.561 4.916 -5.387 1.00 0.00 C ATOM 697 CG2 ILE A 45 0.717 4.046 -6.842 1.00 0.00 C ATOM 698 CD1 ILE A 45 1.915 4.539 -4.068 1.00 0.00 C ATOM 0 H ILE A 45 2.850 7.411 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 45 2.983 4.974 -8.080 1.00 0.00 H new ATOM 0 HB ILE A 45 0.892 6.052 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.188 4.089 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.219 5.770 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.191 3.706 -5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.008 4.310 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.362 3.248 -7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.689 4.309 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.311 5.372 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.280 3.665 -4.211 1.00 0.00 H new ATOM 710 N ARG A 46 0.961 7.361 -9.002 1.00 0.00 N ATOM 711 CA ARG A 46 0.210 7.831 -10.165 1.00 0.00 C ATOM 712 C ARG A 46 1.080 7.756 -11.416 1.00 0.00 C ATOM 713 O ARG A 46 0.654 7.251 -12.456 1.00 0.00 O ATOM 714 CB ARG A 46 -0.263 9.274 -9.964 1.00 0.00 C ATOM 715 CG ARG A 46 -1.412 9.421 -8.983 1.00 0.00 C ATOM 716 CD ARG A 46 -1.680 10.885 -8.659 1.00 0.00 C ATOM 717 NE ARG A 46 -2.844 11.042 -7.789 1.00 0.00 N ATOM 718 CZ ARG A 46 -3.006 12.036 -6.915 1.00 0.00 C ATOM 719 NH1 ARG A 46 -2.073 12.969 -6.760 1.00 0.00 N ATOM 720 NH2 ARG A 46 -4.118 12.092 -6.191 1.00 0.00 N ATOM 0 H ARG A 46 1.137 8.075 -8.295 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.662 7.188 -10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.577 9.875 -9.615 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.568 9.682 -10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.311 8.969 -9.402 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.181 8.880 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.804 11.317 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.840 11.439 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.584 10.343 -7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.217 12.932 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.212 13.723 -6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.838 11.379 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.252 12.848 -5.520 1.00 0.00 H new ATOM 734 N ARG A 47 2.308 8.253 -11.291 1.00 0.00 N ATOM 735 CA ARG A 47 3.259 8.282 -12.397 1.00 0.00 C ATOM 736 C ARG A 47 3.659 6.874 -12.817 1.00 0.00 C ATOM 737 O ARG A 47 3.908 6.609 -13.995 1.00 0.00 O ATOM 738 CB ARG A 47 4.508 9.075 -12.000 1.00 0.00 C ATOM 739 CG ARG A 47 4.210 10.486 -11.525 1.00 0.00 C ATOM 740 CD ARG A 47 3.320 11.229 -12.500 1.00 0.00 C ATOM 741 NE ARG A 47 2.721 12.416 -11.898 1.00 0.00 N ATOM 742 CZ ARG A 47 1.747 13.119 -12.465 1.00 0.00 C ATOM 743 NH1 ARG A 47 1.277 12.767 -13.659 1.00 0.00 N ATOM 744 NH2 ARG A 47 1.233 14.162 -11.835 1.00 0.00 N ATOM 0 H ARG A 47 2.670 8.646 -10.422 1.00 0.00 H new ATOM 0 HA ARG A 47 2.773 8.769 -13.243 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.032 8.538 -11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.183 9.124 -12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.727 10.447 -10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.145 11.032 -11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.903 11.521 -13.373 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.531 10.563 -12.851 1.00 0.00 H new ATOM 0 HE ARG A 47 3.070 12.723 -10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.665 11.956 -14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.529 13.308 -14.092 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.585 14.426 -10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.485 14.703 -12.270 1.00 0.00 H new ATOM 758 N GLY A 48 3.714 5.978 -11.847 1.00 0.00 N ATOM 759 CA GLY A 48 4.117 4.616 -12.114 1.00 0.00 C ATOM 760 C GLY A 48 5.518 4.344 -11.614 1.00 0.00 C ATOM 761 O GLY A 48 6.106 3.303 -11.915 1.00 0.00 O ATOM 0 H GLY A 48 3.485 6.172 -10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.419 3.929 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.069 4.425 -13.186 1.00 0.00 H new ATOM 765 N GLU A 49 6.046 5.283 -10.843 1.00 0.00 N ATOM 766 CA GLU A 49 7.394 5.178 -10.319 1.00 0.00 C ATOM 767 C GLU A 49 7.394 4.492 -8.963 1.00 0.00 C ATOM 768 O GLU A 49 6.357 4.375 -8.309 1.00 0.00 O ATOM 769 CB GLU A 49 8.035 6.553 -10.200 1.00 0.00 C ATOM 770 CG GLU A 49 8.189 7.266 -11.532 1.00 0.00 C ATOM 771 CD GLU A 49 8.969 8.557 -11.412 1.00 0.00 C ATOM 772 OE1 GLU A 49 10.212 8.493 -11.379 1.00 0.00 O ATOM 773 OE2 GLU A 49 8.348 9.641 -11.353 1.00 0.00 O ATOM 0 H GLU A 49 5.554 6.132 -10.566 1.00 0.00 H new ATOM 0 HA GLU A 49 7.977 4.577 -11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.432 7.170 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.016 6.449 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.693 6.605 -12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.202 7.479 -11.943 1.00 0.00 H new ATOM 780 N VAL A 50 8.566 4.049 -8.547 1.00 0.00 N ATOM 781 CA VAL A 50 8.699 3.288 -7.322 1.00 0.00 C ATOM 782 C VAL A 50 9.070 4.182 -6.131 1.00 0.00 C ATOM 783 O VAL A 50 10.093 4.869 -6.139 1.00 0.00 O ATOM 784 CB VAL A 50 9.734 2.151 -7.494 1.00 0.00 C ATOM 785 CG1 VAL A 50 11.113 2.694 -7.845 1.00 0.00 C ATOM 786 CG2 VAL A 50 9.795 1.281 -6.248 1.00 0.00 C ATOM 0 H VAL A 50 9.443 4.205 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 50 7.727 2.845 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 50 9.404 1.532 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.812 1.866 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.057 3.252 -8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.458 3.354 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.529 0.489 -6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.083 1.891 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.816 0.839 -6.065 1.00 0.00 H new ATOM 796 N PRO A 51 8.209 4.211 -5.103 1.00 0.00 N ATOM 797 CA PRO A 51 8.488 4.910 -3.846 1.00 0.00 C ATOM 798 C PRO A 51 9.574 4.200 -3.031 1.00 0.00 C ATOM 799 O PRO A 51 9.575 2.968 -2.911 1.00 0.00 O ATOM 800 CB PRO A 51 7.145 4.874 -3.096 1.00 0.00 C ATOM 801 CG PRO A 51 6.136 4.424 -4.090 1.00 0.00 C ATOM 802 CD PRO A 51 6.879 3.591 -5.094 1.00 0.00 C ATOM 0 HA PRO A 51 8.860 5.921 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.189 4.191 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.892 5.858 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.348 3.844 -3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.656 5.276 -4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.922 2.543 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.409 3.626 -6.077 1.00 0.00 H new ATOM 810 N ALA A 52 10.483 4.990 -2.458 1.00 0.00 N ATOM 811 CA ALA A 52 11.639 4.465 -1.737 1.00 0.00 C ATOM 812 C ALA A 52 11.232 3.687 -0.492 1.00 0.00 C ATOM 813 O ALA A 52 11.976 2.838 -0.022 1.00 0.00 O ATOM 814 CB ALA A 52 12.588 5.596 -1.363 1.00 0.00 C ATOM 0 H ALA A 52 10.437 6.009 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 52 12.150 3.771 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.445 5.189 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.931 6.097 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.068 6.312 -0.727 1.00 0.00 H new ATOM 820 N GLU A 53 10.048 3.974 0.028 1.00 0.00 N ATOM 821 CA GLU A 53 9.539 3.290 1.214 1.00 0.00 C ATOM 822 C GLU A 53 9.282 1.817 0.931 1.00 0.00 C ATOM 823 O GLU A 53 9.281 0.994 1.838 1.00 0.00 O ATOM 824 CB GLU A 53 8.252 3.958 1.677 1.00 0.00 C ATOM 825 CG GLU A 53 8.462 5.368 2.196 1.00 0.00 C ATOM 826 CD GLU A 53 9.106 5.408 3.564 1.00 0.00 C ATOM 827 OE1 GLU A 53 10.354 5.381 3.638 1.00 0.00 O ATOM 828 OE2 GLU A 53 8.365 5.494 4.567 1.00 0.00 O ATOM 0 H GLU A 53 9.417 4.679 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 53 10.292 3.359 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.546 3.985 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.799 3.353 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.085 5.919 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.501 5.880 2.239 1.00 0.00 H new ATOM 835 N LEU A 54 9.008 1.501 -0.325 1.00 0.00 N ATOM 836 CA LEU A 54 8.795 0.122 -0.730 1.00 0.00 C ATOM 837 C LEU A 54 10.122 -0.488 -1.140 1.00 0.00 C ATOM 838 O LEU A 54 10.507 -1.572 -0.701 1.00 0.00 O ATOM 839 CB LEU A 54 7.810 0.051 -1.896 1.00 0.00 C ATOM 840 CG LEU A 54 6.662 1.046 -1.835 1.00 0.00 C ATOM 841 CD1 LEU A 54 5.814 0.926 -3.083 1.00 0.00 C ATOM 842 CD2 LEU A 54 5.826 0.809 -0.593 1.00 0.00 C ATOM 0 H LEU A 54 8.928 2.181 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 54 8.376 -0.434 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.359 0.210 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.395 -0.956 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 54 7.067 2.057 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.993 1.641 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.426 1.135 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.412 -0.085 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.008 1.529 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.419 -0.202 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.449 0.930 0.293 1.00 0.00 H new ATOM 854 N ARG A 55 10.814 0.254 -1.992 1.00 0.00 N ATOM 855 CA ARG A 55 12.052 -0.200 -2.602 1.00 0.00 C ATOM 856 C ARG A 55 13.161 -0.319 -1.566 1.00 0.00 C ATOM 857 O ARG A 55 13.777 -1.368 -1.446 1.00 0.00 O ATOM 858 CB ARG A 55 12.440 0.777 -3.716 1.00 0.00 C ATOM 859 CG ARG A 55 13.404 0.230 -4.760 1.00 0.00 C ATOM 860 CD ARG A 55 14.801 0.017 -4.205 1.00 0.00 C ATOM 861 NE ARG A 55 15.795 -0.047 -5.276 1.00 0.00 N ATOM 862 CZ ARG A 55 17.004 -0.590 -5.157 1.00 0.00 C ATOM 863 NH1 ARG A 55 17.346 -1.233 -4.051 1.00 0.00 N ATOM 864 NH2 ARG A 55 17.865 -0.510 -6.163 1.00 0.00 N ATOM 0 H ARG A 55 10.531 1.191 -2.280 1.00 0.00 H new ATOM 0 HA ARG A 55 11.904 -1.193 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.531 1.104 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.887 1.661 -3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.021 -0.715 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.452 0.920 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.051 0.829 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.828 -0.906 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 55 15.543 0.354 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.681 -1.315 -3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.275 -1.646 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.600 -0.033 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.792 -0.925 -6.075 1.00 0.00 H new ATOM 878 N ARG A 56 13.434 0.757 -0.843 1.00 0.00 N ATOM 879 CA ARG A 56 14.414 0.721 0.228 1.00 0.00 C ATOM 880 C ARG A 56 13.781 0.252 1.533 1.00 0.00 C ATOM 881 O ARG A 56 14.071 0.778 2.606 1.00 0.00 O ATOM 882 CB ARG A 56 15.079 2.084 0.407 1.00 0.00 C ATOM 883 CG ARG A 56 15.885 2.515 -0.804 1.00 0.00 C ATOM 884 CD ARG A 56 16.961 1.494 -1.162 1.00 0.00 C ATOM 885 NE ARG A 56 17.821 1.156 -0.022 1.00 0.00 N ATOM 886 CZ ARG A 56 18.830 0.276 -0.075 1.00 0.00 C ATOM 887 NH1 ARG A 56 19.175 -0.289 -1.228 1.00 0.00 N ATOM 888 NH2 ARG A 56 19.511 -0.020 1.024 1.00 0.00 N ATOM 0 H ARG A 56 12.990 1.665 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 56 15.185 0.003 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 56 14.313 2.832 0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.733 2.051 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.217 2.653 -1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 56 16.351 3.480 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.486 0.587 -1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.575 1.888 -1.971 1.00 0.00 H new ATOM 0 HE ARG A 56 17.639 1.621 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.670 -0.054 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 56 19.945 -0.958 -1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.267 0.422 1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.279 -0.690 0.983 1.00 0.00 H new ATOM 902 N LEU A 57 12.888 -0.712 1.414 1.00 0.00 N ATOM 903 CA LEU A 57 12.389 -1.453 2.559 1.00 0.00 C ATOM 904 C LEU A 57 12.789 -2.897 2.342 1.00 0.00 C ATOM 905 O LEU A 57 13.402 -3.540 3.194 1.00 0.00 O ATOM 906 CB LEU A 57 10.864 -1.323 2.668 1.00 0.00 C ATOM 907 CG LEU A 57 10.250 -1.602 4.051 1.00 0.00 C ATOM 908 CD1 LEU A 57 10.342 -3.079 4.416 1.00 0.00 C ATOM 909 CD2 LEU A 57 10.925 -0.745 5.115 1.00 0.00 C ATOM 0 H LEU A 57 12.488 -1.004 0.522 1.00 0.00 H new ATOM 0 HA LEU A 57 12.806 -1.065 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.585 -0.313 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.411 -2.006 1.949 1.00 0.00 H new ATOM 0 HG LEU A 57 9.193 -1.338 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.899 -3.239 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.805 -3.671 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.388 -3.384 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.479 -0.954 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.990 -0.976 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.789 0.309 4.873 1.00 0.00 H new ATOM 921 N ALA A 58 12.429 -3.388 1.169 1.00 0.00 N ATOM 922 CA ALA A 58 12.950 -4.639 0.661 1.00 0.00 C ATOM 923 C ALA A 58 14.280 -4.400 -0.013 1.00 0.00 C ATOM 924 O ALA A 58 14.841 -3.308 0.050 1.00 0.00 O ATOM 925 CB ALA A 58 11.966 -5.252 -0.317 1.00 0.00 C ATOM 0 H ALA A 58 11.767 -2.928 0.544 1.00 0.00 H new ATOM 0 HA ALA A 58 13.093 -5.332 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.366 -6.193 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.018 -5.437 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.805 -4.567 -1.149 1.00 0.00 H new ATOM 931 N HIS A 59 14.799 -5.435 -0.620 1.00 0.00 N ATOM 932 CA HIS A 59 15.973 -5.306 -1.444 1.00 0.00 C ATOM 933 C HIS A 59 15.706 -4.398 -2.641 1.00 0.00 C ATOM 934 O HIS A 59 16.628 -3.816 -3.205 1.00 0.00 O ATOM 935 CB HIS A 59 16.457 -6.666 -1.931 1.00 0.00 C ATOM 936 CG HIS A 59 17.897 -6.612 -2.258 1.00 0.00 C ATOM 937 ND1 HIS A 59 18.467 -7.178 -3.368 1.00 0.00 N ATOM 938 CD2 HIS A 59 18.878 -5.991 -1.596 1.00 0.00 C ATOM 939 CE1 HIS A 59 19.755 -6.899 -3.376 1.00 0.00 C ATOM 940 NE2 HIS A 59 20.039 -6.170 -2.306 1.00 0.00 N ATOM 0 H HIS A 59 14.425 -6.382 -0.559 1.00 0.00 H new ATOM 0 HA HIS A 59 16.752 -4.857 -0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 59 16.280 -7.419 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 59 15.889 -6.968 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 59 18.776 -5.446 -0.669 1.00 0.00 H new ATOM 0 HE1 HIS A 59 20.462 -7.212 -4.130 1.00 0.00 H new ATOM 0 HE2 HIS A 59 20.958 -5.806 -2.055 1.00 0.00 H new ATOM 949 N GLY A 60 14.438 -4.276 -3.015 1.00 0.00 N ATOM 950 CA GLY A 60 14.077 -3.429 -4.130 1.00 0.00 C ATOM 951 C GLY A 60 14.099 -4.171 -5.446 1.00 0.00 C ATOM 952 O GLY A 60 14.327 -3.578 -6.497 1.00 0.00 O ATOM 0 H GLY A 60 13.655 -4.750 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.081 -3.019 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.765 -2.585 -4.180 1.00 0.00 H new ATOM 956 N GLY A 61 13.867 -5.475 -5.383 1.00 0.00 N ATOM 957 CA GLY A 61 13.802 -6.279 -6.587 1.00 0.00 C ATOM 958 C GLY A 61 12.457 -6.171 -7.255 1.00 0.00 C ATOM 959 O GLY A 61 12.157 -5.187 -7.933 1.00 0.00 O ATOM 0 H GLY A 61 13.722 -5.992 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.580 -5.960 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.003 -7.321 -6.340 1.00 0.00 H new ATOM 963 N GLN A 62 11.654 -7.188 -7.061 1.00 0.00 N ATOM 964 CA GLN A 62 10.299 -7.207 -7.558 1.00 0.00 C ATOM 965 C GLN A 62 9.411 -6.332 -6.681 1.00 0.00 C ATOM 966 O GLN A 62 8.818 -6.821 -5.726 1.00 0.00 O ATOM 967 CB GLN A 62 9.809 -8.647 -7.531 1.00 0.00 C ATOM 968 CG GLN A 62 8.329 -8.809 -7.853 1.00 0.00 C ATOM 969 CD GLN A 62 7.801 -10.203 -7.561 1.00 0.00 C ATOM 970 OE1 GLN A 62 6.622 -10.377 -7.240 1.00 0.00 O ATOM 971 NE2 GLN A 62 8.662 -11.203 -7.666 1.00 0.00 N ATOM 0 H GLN A 62 11.922 -8.030 -6.552 1.00 0.00 H new ATOM 0 HA GLN A 62 10.262 -6.817 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.391 -9.230 -8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.003 -9.066 -6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.757 -8.083 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.166 -8.579 -8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.629 -11.018 -7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.359 -12.159 -7.479 1.00 0.00 H new ATOM 980 N VAL A 63 9.338 -5.041 -6.976 1.00 0.00 N ATOM 981 CA VAL A 63 8.508 -4.148 -6.183 1.00 0.00 C ATOM 982 C VAL A 63 7.102 -4.096 -6.761 1.00 0.00 C ATOM 983 O VAL A 63 6.849 -3.431 -7.772 1.00 0.00 O ATOM 984 CB VAL A 63 9.086 -2.716 -6.102 1.00 0.00 C ATOM 985 CG1 VAL A 63 8.256 -1.860 -5.154 1.00 0.00 C ATOM 986 CG2 VAL A 63 10.542 -2.740 -5.658 1.00 0.00 C ATOM 0 H VAL A 63 9.836 -4.595 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 63 8.485 -4.550 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 63 9.042 -2.277 -7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.676 -0.855 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.229 -1.808 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.268 -2.304 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.924 -1.720 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.615 -3.202 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.131 -3.315 -6.373 1.00 0.00 H new ATOM 996 N ASN A 64 6.197 -4.803 -6.112 1.00 0.00 N ATOM 997 CA ASN A 64 4.819 -4.875 -6.543 1.00 0.00 C ATOM 998 C ASN A 64 3.899 -4.379 -5.441 1.00 0.00 C ATOM 999 O ASN A 64 3.936 -4.886 -4.319 1.00 0.00 O ATOM 1000 CB ASN A 64 4.467 -6.317 -6.898 1.00 0.00 C ATOM 1001 CG ASN A 64 3.136 -6.428 -7.613 1.00 0.00 C ATOM 1002 OD1 ASN A 64 3.077 -6.388 -8.841 1.00 0.00 O ATOM 1003 ND2 ASN A 64 2.062 -6.569 -6.853 1.00 0.00 N ATOM 0 H ASN A 64 6.399 -5.343 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 64 4.689 -4.243 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.251 -6.735 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 64 4.438 -6.916 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.140 -6.649 -7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.156 -6.597 -5.838 1.00 0.00 H new ATOM 1010 N LEU A 65 3.089 -3.384 -5.750 1.00 0.00 N ATOM 1011 CA LEU A 65 2.137 -2.872 -4.784 1.00 0.00 C ATOM 1012 C LEU A 65 0.719 -3.115 -5.265 1.00 0.00 C ATOM 1013 O LEU A 65 0.461 -3.166 -6.471 1.00 0.00 O ATOM 1014 CB LEU A 65 2.341 -1.377 -4.540 1.00 0.00 C ATOM 1015 CG LEU A 65 1.706 -0.467 -5.574 1.00 0.00 C ATOM 1016 CD1 LEU A 65 1.138 0.775 -4.907 1.00 0.00 C ATOM 1017 CD2 LEU A 65 2.733 -0.079 -6.614 1.00 0.00 C ATOM 0 H LEU A 65 3.071 -2.917 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 65 2.302 -3.401 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.937 -1.126 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.411 -1.172 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 65 0.890 -1.001 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.686 1.419 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.382 0.483 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.939 1.315 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.272 0.575 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.559 0.444 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.109 -0.976 -7.106 1.00 0.00 H new ATOM 1029 N ASP A 66 -0.194 -3.268 -4.326 1.00 0.00 N ATOM 1030 CA ASP A 66 -1.603 -3.386 -4.656 1.00 0.00 C ATOM 1031 C ASP A 66 -2.403 -2.358 -3.881 1.00 0.00 C ATOM 1032 O ASP A 66 -2.220 -2.208 -2.675 1.00 0.00 O ATOM 1033 CB ASP A 66 -2.140 -4.790 -4.351 1.00 0.00 C ATOM 1034 CG ASP A 66 -1.622 -5.849 -5.300 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -2.198 -6.006 -6.398 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -0.654 -6.549 -4.944 1.00 0.00 O ATOM 0 H ASP A 66 0.013 -3.314 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.709 -3.208 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.868 -5.062 -3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.229 -4.773 -4.397 1.00 0.00 H new ATOM 1041 N MET A 67 -3.279 -1.646 -4.572 1.00 0.00 N ATOM 1042 CA MET A 67 -4.082 -0.606 -3.942 1.00 0.00 C ATOM 1043 C MET A 67 -5.505 -1.088 -3.689 1.00 0.00 C ATOM 1044 O MET A 67 -6.210 -1.497 -4.616 1.00 0.00 O ATOM 1045 CB MET A 67 -4.108 0.657 -4.805 1.00 0.00 C ATOM 1046 CG MET A 67 -2.753 1.333 -4.935 1.00 0.00 C ATOM 1047 SD MET A 67 -2.817 2.845 -5.916 1.00 0.00 S ATOM 1048 CE MET A 67 -3.919 3.852 -4.925 1.00 0.00 C ATOM 0 H MET A 67 -3.453 -1.768 -5.570 1.00 0.00 H new ATOM 0 HA MET A 67 -3.620 -0.370 -2.983 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.473 0.400 -5.799 1.00 0.00 H new ATOM 0 HB3 MET A 67 -4.818 1.365 -4.377 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.372 1.566 -3.941 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.048 0.639 -5.392 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.559 4.881 -4.912 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.921 3.824 -5.353 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.949 3.465 -3.907 1.00 0.00 H new ATOM 1058 N GLU A 68 -5.917 -1.040 -2.430 1.00 0.00 N ATOM 1059 CA GLU A 68 -7.257 -1.444 -2.037 1.00 0.00 C ATOM 1060 C GLU A 68 -8.098 -0.241 -1.658 1.00 0.00 C ATOM 1061 O GLU A 68 -7.574 0.835 -1.404 1.00 0.00 O ATOM 1062 CB GLU A 68 -7.220 -2.375 -0.834 1.00 0.00 C ATOM 1063 CG GLU A 68 -6.554 -3.710 -1.069 1.00 0.00 C ATOM 1064 CD GLU A 68 -6.819 -4.639 0.087 1.00 0.00 C ATOM 1065 OE1 GLU A 68 -6.339 -4.346 1.205 1.00 0.00 O ATOM 1066 OE2 GLU A 68 -7.546 -5.627 -0.099 1.00 0.00 O ATOM 0 H GLU A 68 -5.334 -0.721 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.693 -1.956 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.703 -1.868 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.243 -2.552 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.927 -4.152 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.480 -3.571 -1.194 1.00 0.00 H new ATOM 1073 N ASP A 69 -9.396 -0.454 -1.584 1.00 0.00 N ATOM 1074 CA ASP A 69 -10.340 0.565 -1.154 1.00 0.00 C ATOM 1075 C ASP A 69 -11.013 0.114 0.138 1.00 0.00 C ATOM 1076 O ASP A 69 -11.729 -0.886 0.152 1.00 0.00 O ATOM 1077 CB ASP A 69 -11.384 0.785 -2.255 1.00 0.00 C ATOM 1078 CG ASP A 69 -12.463 1.790 -1.888 1.00 0.00 C ATOM 1079 OD1 ASP A 69 -13.392 1.430 -1.136 1.00 0.00 O ATOM 1080 OD2 ASP A 69 -12.417 2.930 -2.396 1.00 0.00 O ATOM 0 H ASP A 69 -9.832 -1.345 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.819 1.505 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.878 1.124 -3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.855 -0.169 -2.491 1.00 0.00 H new ATOM 1085 N HIS A 70 -10.736 0.815 1.231 1.00 0.00 N ATOM 1086 CA HIS A 70 -11.334 0.484 2.525 1.00 0.00 C ATOM 1087 C HIS A 70 -12.100 1.686 3.055 1.00 0.00 C ATOM 1088 O HIS A 70 -13.301 1.610 3.288 1.00 0.00 O ATOM 1089 CB HIS A 70 -10.265 0.041 3.537 1.00 0.00 C ATOM 1090 CG HIS A 70 -9.568 -1.237 3.169 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -9.924 -2.462 3.679 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -8.518 -1.472 2.345 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -9.131 -3.395 3.192 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -8.268 -2.822 2.380 1.00 0.00 N ATOM 0 H HIS A 70 -10.103 1.615 1.250 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.021 -0.350 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.522 0.833 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.733 -0.080 4.514 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.687 -2.625 4.336 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.979 -0.735 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.181 -4.449 3.420 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.533 -3.302 1.861 1.00 0.00 H new ATOM 1103 N ARG A 71 -11.374 2.794 3.228 1.00 0.00 N ATOM 1104 CA ARG A 71 -11.947 4.103 3.558 1.00 0.00 C ATOM 1105 C ARG A 71 -12.705 4.115 4.887 1.00 0.00 C ATOM 1106 O ARG A 71 -12.187 4.616 5.883 1.00 0.00 O ATOM 1107 CB ARG A 71 -12.828 4.585 2.411 1.00 0.00 C ATOM 1108 CG ARG A 71 -12.065 4.675 1.100 1.00 0.00 C ATOM 1109 CD ARG A 71 -12.956 5.077 -0.057 1.00 0.00 C ATOM 1110 NE ARG A 71 -13.491 6.427 0.100 1.00 0.00 N ATOM 1111 CZ ARG A 71 -14.723 6.783 -0.254 1.00 0.00 C ATOM 1112 NH1 ARG A 71 -15.586 5.865 -0.671 1.00 0.00 N ATOM 1113 NH2 ARG A 71 -15.097 8.053 -0.174 1.00 0.00 N ATOM 0 H ARG A 71 -10.358 2.808 3.142 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.116 4.795 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.672 3.905 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.240 5.564 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -11.256 5.399 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.604 3.711 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.390 5.019 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.781 4.369 -0.141 1.00 0.00 H new ATOM 0 HE ARG A 71 -12.884 7.139 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.305 4.886 -0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.530 6.139 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.440 8.758 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.042 8.324 -0.446 1.00 0.00 H new ATOM 1127 N ASP A 72 -13.910 3.550 4.915 1.00 0.00 N ATOM 1128 CA ASP A 72 -14.746 3.583 6.116 1.00 0.00 C ATOM 1129 C ASP A 72 -14.191 2.663 7.201 1.00 0.00 C ATOM 1130 O ASP A 72 -14.711 2.614 8.316 1.00 0.00 O ATOM 1131 CB ASP A 72 -16.204 3.221 5.795 1.00 0.00 C ATOM 1132 CG ASP A 72 -16.382 1.803 5.287 1.00 0.00 C ATOM 1133 OD1 ASP A 72 -16.500 0.880 6.118 1.00 0.00 O ATOM 1134 OD2 ASP A 72 -16.436 1.614 4.051 1.00 0.00 O ATOM 0 H ASP A 72 -14.330 3.064 4.122 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.729 4.605 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -16.808 3.355 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -16.586 3.916 5.047 1.00 0.00 H new ATOM 1139 N GLU A 73 -13.126 1.945 6.872 1.00 0.00 N ATOM 1140 CA GLU A 73 -12.409 1.138 7.843 1.00 0.00 C ATOM 1141 C GLU A 73 -11.392 1.985 8.613 1.00 0.00 C ATOM 1142 O GLU A 73 -10.622 1.460 9.419 1.00 0.00 O ATOM 1143 CB GLU A 73 -11.709 -0.029 7.139 1.00 0.00 C ATOM 1144 CG GLU A 73 -12.603 -1.241 6.927 1.00 0.00 C ATOM 1145 CD GLU A 73 -11.816 -2.529 6.762 1.00 0.00 C ATOM 1146 OE1 GLU A 73 -11.456 -2.864 5.623 1.00 0.00 O ATOM 1147 OE2 GLU A 73 -11.557 -3.213 7.777 1.00 0.00 O ATOM 0 H GLU A 73 -12.738 1.907 5.929 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.128 0.740 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.338 0.311 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.841 -0.328 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.280 -1.340 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.220 -1.082 6.043 1.00 0.00 H new ATOM 1154 N ASP A 74 -11.411 3.296 8.356 1.00 0.00 N ATOM 1155 CA ASP A 74 -10.503 4.261 8.992 1.00 0.00 C ATOM 1156 C ASP A 74 -9.052 3.910 8.732 1.00 0.00 C ATOM 1157 O ASP A 74 -8.501 4.281 7.707 1.00 0.00 O ATOM 1158 CB ASP A 74 -10.771 4.402 10.498 1.00 0.00 C ATOM 1159 CG ASP A 74 -9.896 5.466 11.142 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -9.971 6.643 10.727 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -9.121 5.129 12.062 1.00 0.00 O ATOM 0 H ASP A 74 -12.061 3.723 7.696 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.704 5.230 8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.820 4.652 10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.595 3.444 10.988 1.00 0.00 H new ATOM 1166 N PHE A 75 -8.449 3.232 9.676 1.00 0.00 N ATOM 1167 CA PHE A 75 -7.119 2.658 9.515 1.00 0.00 C ATOM 1168 C PHE A 75 -7.056 1.260 10.119 1.00 0.00 C ATOM 1169 O PHE A 75 -7.516 1.044 11.240 1.00 0.00 O ATOM 1170 CB PHE A 75 -6.065 3.538 10.183 1.00 0.00 C ATOM 1171 CG PHE A 75 -4.728 2.867 10.323 1.00 0.00 C ATOM 1172 CD1 PHE A 75 -4.066 2.368 9.209 1.00 0.00 C ATOM 1173 CD2 PHE A 75 -4.136 2.732 11.565 1.00 0.00 C ATOM 1174 CE1 PHE A 75 -2.842 1.750 9.335 1.00 0.00 C ATOM 1175 CE2 PHE A 75 -2.910 2.116 11.696 1.00 0.00 C ATOM 1176 CZ PHE A 75 -2.264 1.625 10.581 1.00 0.00 C ATOM 0 H PHE A 75 -8.865 3.056 10.591 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.914 2.598 8.446 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.945 4.453 9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.421 3.832 11.171 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.516 2.466 8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.639 3.113 12.441 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.337 1.365 8.462 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.456 2.018 12.671 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.304 1.142 10.684 1.00 0.00 H new ATOM 1186 N VAL A 76 -6.468 0.322 9.378 1.00 0.00 N ATOM 1187 CA VAL A 76 -6.280 -1.035 9.867 1.00 0.00 C ATOM 1188 C VAL A 76 -5.433 -1.884 8.906 1.00 0.00 C ATOM 1189 O VAL A 76 -5.927 -2.422 7.913 1.00 0.00 O ATOM 1190 CB VAL A 76 -7.640 -1.727 10.145 1.00 0.00 C ATOM 1191 CG1 VAL A 76 -8.544 -1.727 8.919 1.00 0.00 C ATOM 1192 CG2 VAL A 76 -7.432 -3.141 10.667 1.00 0.00 C ATOM 0 H VAL A 76 -6.114 0.482 8.435 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.733 -0.956 10.807 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.145 -1.146 10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.485 -2.222 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.742 -0.700 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.053 -2.260 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.400 -3.606 10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.886 -3.726 9.926 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.861 -3.106 11.595 1.00 0.00 H new ATOM 1202 N LYS A 77 -4.140 -1.980 9.191 1.00 0.00 N ATOM 1203 CA LYS A 77 -3.292 -2.930 8.486 1.00 0.00 C ATOM 1204 C LYS A 77 -2.282 -3.572 9.447 1.00 0.00 C ATOM 1205 O LYS A 77 -2.347 -4.773 9.671 1.00 0.00 O ATOM 1206 CB LYS A 77 -2.652 -2.312 7.216 1.00 0.00 C ATOM 1207 CG LYS A 77 -1.893 -3.311 6.343 1.00 0.00 C ATOM 1208 CD LYS A 77 -0.515 -3.648 6.891 1.00 0.00 C ATOM 1209 CE LYS A 77 0.430 -2.460 6.820 1.00 0.00 C ATOM 1210 NZ LYS A 77 1.764 -2.780 7.395 1.00 0.00 N ATOM 0 H LYS A 77 -3.662 -1.419 9.896 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.917 -3.741 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.436 -1.847 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.968 -1.518 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.478 -4.227 6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.789 -2.902 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.607 -3.977 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.094 -4.481 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.547 -2.150 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.005 -1.617 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.235 -1.901 7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.646 -3.402 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.344 -3.261 6.679 1.00 0.00 H new ATOM 1224 N PRO A 78 -1.372 -2.797 10.058 1.00 0.00 N ATOM 1225 CA PRO A 78 -0.414 -3.321 11.048 1.00 0.00 C ATOM 1226 C PRO A 78 -1.125 -3.789 12.317 1.00 0.00 C ATOM 1227 O PRO A 78 -0.815 -4.843 12.876 1.00 0.00 O ATOM 1228 CB PRO A 78 0.484 -2.113 11.348 1.00 0.00 C ATOM 1229 CG PRO A 78 0.256 -1.172 10.215 1.00 0.00 C ATOM 1230 CD PRO A 78 -1.184 -1.370 9.845 1.00 0.00 C ATOM 0 HA PRO A 78 0.136 -4.188 10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.222 -1.654 12.301 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.532 -2.406 11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.452 -0.141 10.510 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.915 -1.394 9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.849 -0.775 10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.380 -1.085 8.811 1.00 0.00 H new ATOM 1238 N LYS A 79 -2.092 -2.986 12.757 1.00 0.00 N ATOM 1239 CA LYS A 79 -2.950 -3.329 13.893 1.00 0.00 C ATOM 1240 C LYS A 79 -3.843 -4.538 13.585 1.00 0.00 C ATOM 1241 O LYS A 79 -4.577 -5.017 14.451 1.00 0.00 O ATOM 1242 CB LYS A 79 -3.818 -2.124 14.283 1.00 0.00 C ATOM 1243 CG LYS A 79 -4.636 -1.553 13.130 1.00 0.00 C ATOM 1244 CD LYS A 79 -5.513 -0.392 13.579 1.00 0.00 C ATOM 1245 CE LYS A 79 -6.628 -0.858 14.503 1.00 0.00 C ATOM 1246 NZ LYS A 79 -7.476 0.272 14.966 1.00 0.00 N ATOM 0 H LYS A 79 -2.304 -2.080 12.338 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.302 -3.596 14.728 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.495 -2.420 15.084 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.175 -1.340 14.683 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.965 -1.217 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.262 -2.338 12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.901 0.350 14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.944 0.098 12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.249 -1.588 13.983 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.196 -1.364 15.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.223 -0.089 15.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.889 0.956 15.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.910 0.740 14.145 1.00 0.00 H new ATOM 1260 N GLY A 80 -3.778 -5.021 12.352 1.00 0.00 N ATOM 1261 CA GLY A 80 -4.543 -6.187 11.962 1.00 0.00 C ATOM 1262 C GLY A 80 -3.694 -7.148 11.164 1.00 0.00 C ATOM 1263 O GLY A 80 -4.163 -7.729 10.181 1.00 0.00 O ATOM 0 H GLY A 80 -3.204 -4.622 11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.928 -6.688 12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.405 -5.880 11.370 1.00 0.00 H new ATOM 1267 N ALA A 81 -2.437 -7.295 11.595 1.00 0.00 N ATOM 1268 CA ALA A 81 -1.434 -8.112 10.909 1.00 0.00 C ATOM 1269 C ALA A 81 -1.102 -7.535 9.536 1.00 0.00 C ATOM 1270 O ALA A 81 -0.085 -6.861 9.366 1.00 0.00 O ATOM 1271 CB ALA A 81 -1.880 -9.565 10.793 1.00 0.00 C ATOM 0 H ALA A 81 -2.085 -6.844 12.440 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.528 -8.092 11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.111 -10.142 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.038 -9.978 11.789 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.811 -9.616 10.228 1.00 0.00 H new ATOM 1277 N PHE A 82 -1.964 -7.797 8.565 1.00 0.00 N ATOM 1278 CA PHE A 82 -1.801 -7.244 7.231 1.00 0.00 C ATOM 1279 C PHE A 82 -3.147 -7.147 6.517 1.00 0.00 C ATOM 1280 O PHE A 82 -3.239 -6.564 5.436 1.00 0.00 O ATOM 1281 CB PHE A 82 -0.821 -8.094 6.410 1.00 0.00 C ATOM 1282 CG PHE A 82 -1.230 -9.539 6.254 1.00 0.00 C ATOM 1283 CD1 PHE A 82 -0.917 -10.476 7.230 1.00 0.00 C ATOM 1284 CD2 PHE A 82 -1.924 -9.959 5.130 1.00 0.00 C ATOM 1285 CE1 PHE A 82 -1.291 -11.799 7.087 1.00 0.00 C ATOM 1286 CE2 PHE A 82 -2.300 -11.281 4.982 1.00 0.00 C ATOM 1287 CZ PHE A 82 -1.984 -12.202 5.962 1.00 0.00 C ATOM 0 H PHE A 82 -2.786 -8.391 8.678 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.391 -6.239 7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.715 -7.650 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.160 -8.056 6.884 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.375 -10.167 8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.174 -9.244 4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.042 -12.517 7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.840 -11.594 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.278 -13.235 5.849 1.00 0.00 H new ATOM 1297 N LYS A 83 -4.192 -7.674 7.164 1.00 0.00 N ATOM 1298 CA LYS A 83 -5.514 -7.820 6.556 1.00 0.00 C ATOM 1299 C LYS A 83 -5.443 -8.504 5.201 1.00 0.00 C ATOM 1300 O LYS A 83 -5.239 -7.841 4.180 1.00 0.00 O ATOM 1301 CB LYS A 83 -6.205 -6.466 6.398 1.00 0.00 C ATOM 1302 CG LYS A 83 -6.527 -5.797 7.713 1.00 0.00 C ATOM 1303 CD LYS A 83 -7.624 -6.537 8.473 1.00 0.00 C ATOM 1304 CE LYS A 83 -9.009 -6.274 7.890 1.00 0.00 C ATOM 1305 NZ LYS A 83 -9.512 -4.915 8.235 1.00 0.00 N ATOM 0 H LYS A 83 -4.142 -8.011 8.125 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.096 -8.446 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.565 -5.807 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.127 -6.601 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.628 -5.751 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.841 -4.769 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.420 -7.607 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.608 -6.231 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.972 -6.382 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.707 -7.024 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.488 -4.809 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.492 -4.789 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.908 -4.197 7.787 1.00 0.00 H new ATOM 1319 N ALA A 84 -5.609 -9.825 5.197 1.00 0.00 N ATOM 1320 CA ALA A 84 -5.758 -10.563 3.951 1.00 0.00 C ATOM 1321 C ALA A 84 -6.818 -9.880 3.108 1.00 0.00 C ATOM 1322 O ALA A 84 -7.880 -9.523 3.627 1.00 0.00 O ATOM 1323 CB ALA A 84 -6.129 -12.014 4.220 1.00 0.00 C ATOM 0 H ALA A 84 -5.643 -10.401 6.038 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.810 -10.567 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.235 -12.544 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.346 -12.485 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -7.072 -12.053 4.765 1.00 0.00 H new ATOM 1329 N PHE A 85 -6.519 -9.687 1.830 1.00 0.00 N ATOM 1330 CA PHE A 85 -7.316 -8.822 0.966 1.00 0.00 C ATOM 1331 C PHE A 85 -8.678 -9.438 0.609 1.00 0.00 C ATOM 1332 O PHE A 85 -8.970 -9.743 -0.548 1.00 0.00 O ATOM 1333 CB PHE A 85 -6.522 -8.462 -0.304 1.00 0.00 C ATOM 1334 CG PHE A 85 -5.933 -9.636 -1.046 1.00 0.00 C ATOM 1335 CD1 PHE A 85 -4.761 -10.235 -0.608 1.00 0.00 C ATOM 1336 CD2 PHE A 85 -6.546 -10.133 -2.186 1.00 0.00 C ATOM 1337 CE1 PHE A 85 -4.218 -11.307 -1.288 1.00 0.00 C ATOM 1338 CE2 PHE A 85 -6.007 -11.205 -2.870 1.00 0.00 C ATOM 1339 CZ PHE A 85 -4.843 -11.793 -2.419 1.00 0.00 C ATOM 0 H PHE A 85 -5.723 -10.122 1.364 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.527 -7.910 1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.179 -7.916 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.714 -7.784 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.267 -9.858 0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.457 -9.676 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.305 -11.765 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.496 -11.582 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.421 -12.633 -2.951 1.00 0.00 H new ATOM 1349 N THR A 86 -9.504 -9.621 1.621 1.00 0.00 N ATOM 1350 CA THR A 86 -10.857 -10.113 1.450 1.00 0.00 C ATOM 1351 C THR A 86 -11.736 -9.529 2.551 1.00 0.00 C ATOM 1352 O THR A 86 -12.056 -10.193 3.541 1.00 0.00 O ATOM 1353 CB THR A 86 -10.908 -11.656 1.485 1.00 0.00 C ATOM 1354 OG1 THR A 86 -9.942 -12.189 0.568 1.00 0.00 O ATOM 1355 CG2 THR A 86 -12.292 -12.171 1.112 1.00 0.00 C ATOM 0 H THR A 86 -9.253 -9.431 2.591 1.00 0.00 H new ATOM 0 HA THR A 86 -11.224 -9.799 0.473 1.00 0.00 H new ATOM 0 HB THR A 86 -10.681 -11.980 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.974 -13.168 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 86 -12.296 -13.260 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.027 -11.783 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.545 -11.838 0.105 1.00 0.00 H new ATOM 1363 N GLY A 87 -12.079 -8.263 2.390 1.00 0.00 N ATOM 1364 CA GLY A 87 -12.861 -7.575 3.388 1.00 0.00 C ATOM 1365 C GLY A 87 -14.336 -7.887 3.286 1.00 0.00 C ATOM 1366 O GLY A 87 -15.035 -7.351 2.418 1.00 0.00 O ATOM 0 H GLY A 87 -11.827 -7.697 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.502 -7.851 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.712 -6.500 3.284 1.00 0.00 H new ATOM 1370 N GLU A 88 -14.802 -8.771 4.157 1.00 0.00 N ATOM 1371 CA GLU A 88 -16.225 -9.064 4.268 1.00 0.00 C ATOM 1372 C GLU A 88 -16.996 -7.779 4.566 1.00 0.00 C ATOM 1373 O GLU A 88 -18.049 -7.527 3.985 1.00 0.00 O ATOM 1374 CB GLU A 88 -16.468 -10.126 5.351 1.00 0.00 C ATOM 1375 CG GLU A 88 -15.871 -9.779 6.710 1.00 0.00 C ATOM 1376 CD GLU A 88 -15.949 -10.926 7.695 1.00 0.00 C ATOM 1377 OE1 GLU A 88 -15.034 -11.775 7.696 1.00 0.00 O ATOM 1378 OE2 GLU A 88 -16.909 -10.974 8.491 1.00 0.00 O ATOM 0 H GLU A 88 -14.213 -9.300 4.800 1.00 0.00 H new ATOM 0 HA GLU A 88 -16.585 -9.467 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -17.542 -10.273 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -16.050 -11.075 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.829 -9.488 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.394 -8.916 7.122 1.00 0.00 H new ATOM 1385 N GLY A 89 -16.434 -6.956 5.445 1.00 0.00 N ATOM 1386 CA GLY A 89 -17.005 -5.653 5.724 1.00 0.00 C ATOM 1387 C GLY A 89 -16.258 -4.555 4.997 1.00 0.00 C ATOM 1388 O GLY A 89 -15.891 -3.538 5.585 1.00 0.00 O ATOM 0 H GLY A 89 -15.588 -7.171 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -18.053 -5.642 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.978 -5.465 6.797 1.00 0.00 H new ATOM 1392 N GLN A 90 -16.025 -4.774 3.713 1.00 0.00 N ATOM 1393 CA GLN A 90 -15.294 -3.826 2.883 1.00 0.00 C ATOM 1394 C GLN A 90 -16.075 -3.534 1.605 1.00 0.00 C ATOM 1395 O GLN A 90 -16.695 -2.479 1.472 1.00 0.00 O ATOM 1396 CB GLN A 90 -13.913 -4.391 2.544 1.00 0.00 C ATOM 1397 CG GLN A 90 -13.071 -3.515 1.629 1.00 0.00 C ATOM 1398 CD GLN A 90 -11.835 -4.239 1.133 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -11.296 -5.108 1.816 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -11.373 -3.886 -0.054 1.00 0.00 N ATOM 0 H GLN A 90 -16.335 -5.610 3.217 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.169 -2.894 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.365 -4.554 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -14.041 -5.366 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.672 -3.197 0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.773 -2.613 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.848 -3.160 -0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.542 -4.339 -0.433 1.00 0.00 H new ATOM 1409 N LYS A 91 -16.055 -4.484 0.673 1.00 0.00 N ATOM 1410 CA LYS A 91 -16.787 -4.339 -0.581 1.00 0.00 C ATOM 1411 C LYS A 91 -18.001 -5.271 -0.601 1.00 0.00 C ATOM 1412 O LYS A 91 -18.893 -5.135 -1.439 1.00 0.00 O ATOM 1413 CB LYS A 91 -15.858 -4.610 -1.780 1.00 0.00 C ATOM 1414 CG LYS A 91 -16.532 -4.443 -3.139 1.00 0.00 C ATOM 1415 CD LYS A 91 -15.522 -4.328 -4.273 1.00 0.00 C ATOM 1416 CE LYS A 91 -14.597 -5.536 -4.354 1.00 0.00 C ATOM 1417 NZ LYS A 91 -13.631 -5.415 -5.481 1.00 0.00 N ATOM 0 H LYS A 91 -15.541 -5.360 0.763 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.148 -3.314 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.004 -3.935 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.468 -5.625 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.188 -5.294 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.161 -3.553 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.053 -4.217 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.926 -3.426 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.051 -5.640 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.191 -6.441 -4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.943 -6.194 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.144 -5.460 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.130 -4.506 -5.413 1.00 0.00 H new ATOM 1431 N LEU A 92 -18.019 -6.210 0.351 1.00 0.00 N ATOM 1432 CA LEU A 92 -19.132 -7.151 0.525 1.00 0.00 C ATOM 1433 C LEU A 92 -19.266 -8.071 -0.692 1.00 0.00 C ATOM 1434 O LEU A 92 -20.353 -8.549 -1.015 1.00 0.00 O ATOM 1435 CB LEU A 92 -20.442 -6.388 0.785 1.00 0.00 C ATOM 1436 CG LEU A 92 -21.633 -7.241 1.236 1.00 0.00 C ATOM 1437 CD1 LEU A 92 -21.353 -7.887 2.586 1.00 0.00 C ATOM 1438 CD2 LEU A 92 -22.898 -6.397 1.295 1.00 0.00 C ATOM 0 H LEU A 92 -17.263 -6.340 1.023 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.921 -7.776 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.254 -5.630 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -20.721 -5.862 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 92 -21.783 -8.036 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -22.211 -8.488 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -20.473 -8.525 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -21.174 -7.111 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -23.735 -7.017 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -22.758 -5.581 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -23.109 -5.988 0.307 1.00 0.00 H new ATOM 1450 N GLY A 93 -18.148 -8.317 -1.358 1.00 0.00 N ATOM 1451 CA GLY A 93 -18.145 -9.186 -2.514 1.00 0.00 C ATOM 1452 C GLY A 93 -16.755 -9.351 -3.083 1.00 0.00 C ATOM 1453 O GLY A 93 -16.041 -8.366 -3.276 1.00 0.00 O ATOM 0 H GLY A 93 -17.237 -7.927 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -18.543 -10.162 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.806 -8.777 -3.279 1.00 0.00 H new ATOM 1457 N SER A 94 -16.362 -10.591 -3.333 1.00 0.00 N ATOM 1458 CA SER A 94 -15.042 -10.879 -3.871 1.00 0.00 C ATOM 1459 C SER A 94 -15.053 -10.796 -5.393 1.00 0.00 C ATOM 1460 O SER A 94 -14.010 -10.619 -6.024 1.00 0.00 O ATOM 1461 CB SER A 94 -14.580 -12.263 -3.418 1.00 0.00 C ATOM 1462 OG SER A 94 -14.706 -12.398 -2.012 1.00 0.00 O ATOM 0 H SER A 94 -16.940 -11.415 -3.171 1.00 0.00 H new ATOM 0 HA SER A 94 -14.343 -10.133 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.172 -13.031 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.542 -12.420 -3.712 1.00 0.00 H new ATOM 0 HG SER A 94 -14.407 -13.291 -1.741 1.00 0.00 H new ATOM 1468 N THR A 95 -16.238 -10.908 -5.973 1.00 0.00 N ATOM 1469 CA THR A 95 -16.392 -10.838 -7.413 1.00 0.00 C ATOM 1470 C THR A 95 -17.073 -9.530 -7.808 1.00 0.00 C ATOM 1471 O THR A 95 -18.293 -9.470 -7.974 1.00 0.00 O ATOM 1472 CB THR A 95 -17.207 -12.034 -7.942 1.00 0.00 C ATOM 1473 OG1 THR A 95 -16.657 -13.260 -7.433 1.00 0.00 O ATOM 1474 CG2 THR A 95 -17.201 -12.072 -9.464 1.00 0.00 C ATOM 0 H THR A 95 -17.110 -11.048 -5.463 1.00 0.00 H new ATOM 0 HA THR A 95 -15.399 -10.875 -7.860 1.00 0.00 H new ATOM 0 HB THR A 95 -18.236 -11.919 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.179 -14.018 -7.770 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.784 -12.926 -9.809 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.639 -11.153 -9.853 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.175 -12.164 -9.822 1.00 0.00 H new ATOM 1482 N ALA A 96 -16.272 -8.485 -7.940 1.00 0.00 N ATOM 1483 CA ALA A 96 -16.766 -7.167 -8.302 1.00 0.00 C ATOM 1484 C ALA A 96 -15.612 -6.297 -8.787 1.00 0.00 C ATOM 1485 O ALA A 96 -14.990 -5.581 -7.998 1.00 0.00 O ATOM 1486 CB ALA A 96 -17.463 -6.515 -7.114 1.00 0.00 C ATOM 0 H ALA A 96 -15.263 -8.527 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 96 -17.492 -7.271 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.827 -5.529 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -18.303 -7.134 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.758 -6.415 -6.289 1.00 0.00 H new ATOM 1492 N PRO A 97 -15.295 -6.374 -10.091 1.00 0.00 N ATOM 1493 CA PRO A 97 -14.186 -5.622 -10.683 1.00 0.00 C ATOM 1494 C PRO A 97 -14.388 -4.112 -10.590 1.00 0.00 C ATOM 1495 O PRO A 97 -13.728 -3.440 -9.797 1.00 0.00 O ATOM 1496 CB PRO A 97 -14.169 -6.076 -12.147 1.00 0.00 C ATOM 1497 CG PRO A 97 -15.523 -6.650 -12.396 1.00 0.00 C ATOM 1498 CD PRO A 97 -15.988 -7.211 -11.085 1.00 0.00 C ATOM 0 HA PRO A 97 -13.249 -5.814 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.967 -5.239 -12.816 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.389 -6.818 -12.320 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.210 -5.885 -12.757 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -15.482 -7.427 -13.159 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -17.071 -7.145 -10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -15.721 -8.263 -10.981 1.00 0.00 H new ATOM 1506 N GLN A 98 -15.313 -3.591 -11.387 1.00 0.00 N ATOM 1507 CA GLN A 98 -15.597 -2.162 -11.419 1.00 0.00 C ATOM 1508 C GLN A 98 -16.761 -1.901 -12.368 1.00 0.00 C ATOM 1509 O GLN A 98 -17.918 -1.938 -11.951 1.00 0.00 O ATOM 1510 CB GLN A 98 -14.358 -1.381 -11.875 1.00 0.00 C ATOM 1511 CG GLN A 98 -14.455 0.122 -11.675 1.00 0.00 C ATOM 1512 CD GLN A 98 -13.318 0.865 -12.349 1.00 0.00 C ATOM 1513 OE1 GLN A 98 -13.434 1.281 -13.501 1.00 0.00 O ATOM 1514 NE2 GLN A 98 -12.200 1.010 -11.658 1.00 0.00 N ATOM 0 H GLN A 98 -15.884 -4.144 -12.026 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.864 -1.827 -10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.489 -1.752 -11.332 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.184 -1.584 -12.932 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.405 0.479 -12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.451 0.346 -10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -12.140 0.652 -10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.398 1.480 -12.078 1.00 0.00 H new ATOM 1523 N VAL A 99 -16.436 -1.682 -13.643 1.00 0.00 N ATOM 1524 CA VAL A 99 -17.422 -1.477 -14.708 1.00 0.00 C ATOM 1525 C VAL A 99 -18.471 -0.424 -14.334 1.00 0.00 C ATOM 1526 O VAL A 99 -18.235 0.775 -14.469 1.00 0.00 O ATOM 1527 CB VAL A 99 -18.127 -2.798 -15.094 1.00 0.00 C ATOM 1528 CG1 VAL A 99 -18.937 -2.629 -16.370 1.00 0.00 C ATOM 1529 CG2 VAL A 99 -17.114 -3.922 -15.250 1.00 0.00 C ATOM 0 H VAL A 99 -15.471 -1.641 -13.970 1.00 0.00 H new ATOM 0 HA VAL A 99 -16.863 -1.110 -15.569 1.00 0.00 H new ATOM 0 HB VAL A 99 -18.813 -3.062 -14.289 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -19.423 -3.572 -16.620 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -19.694 -1.859 -16.221 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -18.275 -2.335 -17.185 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -17.631 -4.842 -15.522 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.400 -3.662 -16.032 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -16.584 -4.068 -14.309 1.00 0.00 H new ATOM 1539 N LEU A 100 -19.613 -0.884 -13.842 1.00 0.00 N ATOM 1540 CA LEU A 100 -20.715 -0.013 -13.472 1.00 0.00 C ATOM 1541 C LEU A 100 -21.730 -0.821 -12.692 1.00 0.00 C ATOM 1542 O LEU A 100 -21.935 -0.612 -11.497 1.00 0.00 O ATOM 1543 CB LEU A 100 -21.389 0.574 -14.708 1.00 0.00 C ATOM 1544 CG LEU A 100 -22.228 1.819 -14.436 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -21.332 3.017 -14.164 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -23.170 2.099 -15.595 1.00 0.00 C ATOM 0 H LEU A 100 -19.800 -1.875 -13.689 1.00 0.00 H new ATOM 0 HA LEU A 100 -20.327 0.808 -12.869 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -20.622 0.821 -15.443 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.026 -0.188 -15.156 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.833 1.637 -13.548 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -21.948 3.896 -13.972 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.708 2.814 -13.294 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.697 3.201 -15.031 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -23.758 2.991 -15.379 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -22.591 2.258 -16.504 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -23.838 1.249 -15.734 1.00 0.00 H new ATOM 1558 N SER A 101 -22.357 -1.750 -13.390 1.00 0.00 N ATOM 1559 CA SER A 101 -23.261 -2.694 -12.775 1.00 0.00 C ATOM 1560 C SER A 101 -22.526 -4.011 -12.549 1.00 0.00 C ATOM 1561 O SER A 101 -21.335 -4.121 -12.851 1.00 0.00 O ATOM 1562 CB SER A 101 -24.481 -2.905 -13.673 1.00 0.00 C ATOM 1563 OG SER A 101 -25.093 -1.664 -13.996 1.00 0.00 O ATOM 0 H SER A 101 -22.252 -1.868 -14.398 1.00 0.00 H new ATOM 0 HA SER A 101 -23.605 -2.308 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 101 -24.180 -3.416 -14.588 1.00 0.00 H new ATOM 0 HB3 SER A 101 -25.201 -3.550 -13.170 1.00 0.00 H new ATOM 0 HG SER A 101 -25.870 -1.822 -14.572 1.00 0.00 H new ATOM 1569 N THR A 102 -23.222 -4.995 -12.022 1.00 0.00 N ATOM 1570 CA THR A 102 -22.618 -6.288 -11.760 1.00 0.00 C ATOM 1571 C THR A 102 -23.378 -7.388 -12.498 1.00 0.00 C ATOM 1572 O THR A 102 -24.333 -7.948 -11.920 1.00 0.00 O ATOM 1573 CB THR A 102 -22.592 -6.590 -10.248 1.00 0.00 C ATOM 1574 OG1 THR A 102 -22.084 -5.449 -9.536 1.00 0.00 O ATOM 1575 CG2 THR A 102 -21.719 -7.804 -9.948 1.00 0.00 C ATOM 1576 OXT THR A 102 -23.024 -7.682 -13.662 1.00 0.00 O ATOM 0 H THR A 102 -24.207 -4.927 -11.766 1.00 0.00 H new ATOM 0 HA THR A 102 -21.591 -6.259 -12.123 1.00 0.00 H new ATOM 0 HB THR A 102 -23.610 -6.807 -9.925 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.070 -5.642 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 102 -21.718 -7.995 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A 102 -22.114 -8.675 -10.471 1.00 0.00 H new ATOM 0 HG23 THR A 102 -20.700 -7.611 -10.283 1.00 0.00 H new TER 1584 THR A 102