USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 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 40 LYS NZ :NH3+ -178:sc= 0.161 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot -124:sc= 0.159 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.08 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.0668 K(o=0.067,f=-1.1) USER MOD Single : A 18 SER OG : rot -88:sc= -1.35 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 164:sc= -3.3 (180deg=-3.58!) USER MOD Single : A 27 TYR OH : rot 150:sc= 0.252 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -7.4! C(o=-7.4!,f=-7.7!) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0139 (180deg=-0.456) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 41 GLN : amide:sc= -4.7! C(o=-4.7!,f=-7!) USER MOD Single : A 42 MET CE :methyl -172:sc= -0.575 (180deg=-0.7) USER MOD Single : A 44 SER OG : rot 99:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc=-0.00571 (180deg=-0.104) USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.86 USER MOD Single : A 48 ASN :FLIP amide:sc= 1.02 F(o=-0.51,f=1) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.276 K(o=-0.28,f=-2.3!) USER MOD Single : A 60 ASN : amide:sc= -0.942 K(o=-0.94,f=-1.9) USER MOD Single : A 69 MET CE :methyl -126:sc= -1.95 (180deg=-4.15!) USER MOD Single : A 71 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 72 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.8!) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 14:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.539 -18.283 1.112 1.00 0.00 N ATOM 2 CA GLY A 1 7.544 -19.625 0.559 1.00 0.00 C ATOM 3 C GLY A 1 6.197 -20.310 0.686 1.00 0.00 C ATOM 4 O GLY A 1 5.190 -19.664 0.973 1.00 0.00 O ATOM 0 H1 GLY A 1 7.926 -17.618 0.412 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.564 -18.009 1.348 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.123 -18.260 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.828 -19.580 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.301 -20.222 1.068 1.00 0.00 H new ATOM 8 N SER A 2 6.179 -21.621 0.471 1.00 0.00 N ATOM 9 CA SER A 2 4.945 -22.393 0.557 1.00 0.00 C ATOM 10 C SER A 2 4.967 -23.318 1.770 1.00 0.00 C ATOM 11 O SER A 2 5.508 -24.422 1.714 1.00 0.00 O ATOM 12 CB SER A 2 4.740 -23.212 -0.719 1.00 0.00 C ATOM 13 OG SER A 2 4.107 -22.440 -1.724 1.00 0.00 O ATOM 0 H SER A 2 7.005 -22.171 0.236 1.00 0.00 H new ATOM 0 HA SER A 2 4.116 -21.694 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.703 -23.570 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.136 -24.092 -0.497 1.00 0.00 H new ATOM 0 HG SER A 2 3.989 -22.985 -2.530 1.00 0.00 H new ATOM 19 N SER A 3 4.374 -22.858 2.868 1.00 0.00 N ATOM 20 CA SER A 3 4.328 -23.641 4.097 1.00 0.00 C ATOM 21 C SER A 3 2.890 -23.812 4.579 1.00 0.00 C ATOM 22 O SER A 3 2.406 -24.931 4.740 1.00 0.00 O ATOM 23 CB SER A 3 5.167 -22.970 5.186 1.00 0.00 C ATOM 24 OG SER A 3 4.927 -23.562 6.451 1.00 0.00 O ATOM 0 H SER A 3 3.919 -21.947 2.931 1.00 0.00 H new ATOM 0 HA SER A 3 4.742 -24.627 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.225 -23.052 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.931 -21.907 5.228 1.00 0.00 H new ATOM 0 HG SER A 3 5.476 -23.117 7.130 1.00 0.00 H new ATOM 30 N GLY A 4 2.213 -22.691 4.807 1.00 0.00 N ATOM 31 CA GLY A 4 0.837 -22.736 5.269 1.00 0.00 C ATOM 32 C GLY A 4 -0.158 -22.718 4.126 1.00 0.00 C ATOM 33 O GLY A 4 -0.357 -21.687 3.484 1.00 0.00 O ATOM 0 H GLY A 4 2.592 -21.753 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.686 -23.637 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.649 -21.885 5.924 1.00 0.00 H new ATOM 37 N SER A 5 -0.785 -23.862 3.871 1.00 0.00 N ATOM 38 CA SER A 5 -1.762 -23.974 2.794 1.00 0.00 C ATOM 39 C SER A 5 -2.960 -23.066 3.050 1.00 0.00 C ATOM 40 O SER A 5 -3.425 -22.937 4.183 1.00 0.00 O ATOM 41 CB SER A 5 -2.228 -25.424 2.649 1.00 0.00 C ATOM 42 OG SER A 5 -1.142 -26.282 2.347 1.00 0.00 O ATOM 0 H SER A 5 -0.634 -24.724 4.395 1.00 0.00 H new ATOM 0 HA SER A 5 -1.282 -23.659 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.706 -25.749 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.978 -25.491 1.861 1.00 0.00 H new ATOM 0 HG SER A 5 -1.467 -27.203 2.261 1.00 0.00 H new ATOM 48 N SER A 6 -3.455 -22.436 1.989 1.00 0.00 N ATOM 49 CA SER A 6 -4.597 -21.536 2.098 1.00 0.00 C ATOM 50 C SER A 6 -5.642 -22.098 3.057 1.00 0.00 C ATOM 51 O SER A 6 -6.355 -23.046 2.730 1.00 0.00 O ATOM 52 CB SER A 6 -5.224 -21.304 0.722 1.00 0.00 C ATOM 53 OG SER A 6 -4.498 -20.332 -0.011 1.00 0.00 O ATOM 0 H SER A 6 -3.083 -22.532 1.044 1.00 0.00 H new ATOM 0 HA SER A 6 -4.241 -20.584 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.247 -22.241 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.258 -20.978 0.840 1.00 0.00 H new ATOM 0 HG SER A 6 -4.917 -20.203 -0.887 1.00 0.00 H new ATOM 59 N GLY A 7 -5.727 -21.506 4.244 1.00 0.00 N ATOM 60 CA GLY A 7 -6.687 -21.960 5.233 1.00 0.00 C ATOM 61 C GLY A 7 -8.084 -21.435 4.969 1.00 0.00 C ATOM 62 O GLY A 7 -8.613 -21.583 3.867 1.00 0.00 O ATOM 0 H GLY A 7 -5.148 -20.720 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.707 -23.050 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.363 -21.640 6.223 1.00 0.00 H new ATOM 66 N LYS A 8 -8.685 -20.821 5.982 1.00 0.00 N ATOM 67 CA LYS A 8 -10.030 -20.272 5.856 1.00 0.00 C ATOM 68 C LYS A 8 -10.147 -19.399 4.610 1.00 0.00 C ATOM 69 O LYS A 8 -9.153 -18.861 4.121 1.00 0.00 O ATOM 70 CB LYS A 8 -10.389 -19.455 7.099 1.00 0.00 C ATOM 71 CG LYS A 8 -9.717 -18.093 7.146 1.00 0.00 C ATOM 72 CD LYS A 8 -8.375 -18.157 7.856 1.00 0.00 C ATOM 73 CE LYS A 8 -8.546 -18.321 9.358 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.241 -18.523 10.047 1.00 0.00 N ATOM 0 H LYS A 8 -8.261 -20.691 6.901 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.727 -21.105 5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.470 -19.319 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.109 -20.020 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.575 -17.721 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.367 -17.383 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.793 -18.990 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.810 -17.248 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.039 -17.438 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.198 -19.171 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.401 -18.631 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.782 -19.379 9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.628 -17.700 9.877 1.00 0.00 H new ATOM 88 N LYS A 9 -11.366 -19.263 4.101 1.00 0.00 N ATOM 89 CA LYS A 9 -11.614 -18.453 2.914 1.00 0.00 C ATOM 90 C LYS A 9 -12.903 -17.652 3.061 1.00 0.00 C ATOM 91 O LYS A 9 -13.993 -18.219 3.133 1.00 0.00 O ATOM 92 CB LYS A 9 -11.694 -19.344 1.672 1.00 0.00 C ATOM 93 CG LYS A 9 -10.346 -19.602 1.021 1.00 0.00 C ATOM 94 CD LYS A 9 -10.409 -20.773 0.055 1.00 0.00 C ATOM 95 CE LYS A 9 -11.154 -20.405 -1.219 1.00 0.00 C ATOM 96 NZ LYS A 9 -11.220 -21.547 -2.173 1.00 0.00 N ATOM 0 H LYS A 9 -12.199 -19.704 4.492 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.784 -17.755 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.143 -20.298 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.357 -18.878 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.020 -18.708 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.602 -19.804 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.398 -21.096 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.904 -21.617 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.165 -20.082 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.659 -19.560 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.735 -21.256 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.256 -21.839 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.715 -22.345 -1.726 1.00 0.00 H new ATOM 110 N ARG A 10 -12.772 -16.330 3.104 1.00 0.00 N ATOM 111 CA ARG A 10 -13.926 -15.451 3.243 1.00 0.00 C ATOM 112 C ARG A 10 -13.867 -14.311 2.230 1.00 0.00 C ATOM 113 O ARG A 10 -12.791 -13.937 1.762 1.00 0.00 O ATOM 114 CB ARG A 10 -13.995 -14.884 4.662 1.00 0.00 C ATOM 115 CG ARG A 10 -15.408 -14.560 5.120 1.00 0.00 C ATOM 116 CD ARG A 10 -16.210 -15.824 5.389 1.00 0.00 C ATOM 117 NE ARG A 10 -16.038 -16.301 6.759 1.00 0.00 N ATOM 118 CZ ARG A 10 -16.430 -17.500 7.174 1.00 0.00 C ATOM 119 NH1 ARG A 10 -17.014 -18.339 6.330 1.00 0.00 N ATOM 120 NH2 ARG A 10 -16.239 -17.862 8.437 1.00 0.00 N ATOM 0 H ARG A 10 -11.877 -15.844 3.044 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.823 -16.039 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.554 -15.602 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.389 -13.979 4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.368 -13.954 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.911 -13.964 4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.266 -15.629 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.902 -16.604 4.692 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.592 -15.679 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.163 -18.064 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.314 -19.259 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.791 -17.219 9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.541 -18.783 8.755 1.00 0.00 H new ATOM 134 N LYS A 11 -15.029 -13.762 1.895 1.00 0.00 N ATOM 135 CA LYS A 11 -15.111 -12.664 0.939 1.00 0.00 C ATOM 136 C LYS A 11 -15.291 -11.330 1.657 1.00 0.00 C ATOM 137 O LYS A 11 -15.961 -11.253 2.685 1.00 0.00 O ATOM 138 CB LYS A 11 -16.270 -12.893 -0.033 1.00 0.00 C ATOM 139 CG LYS A 11 -16.070 -12.230 -1.385 1.00 0.00 C ATOM 140 CD LYS A 11 -16.618 -10.813 -1.398 1.00 0.00 C ATOM 141 CE LYS A 11 -16.534 -10.195 -2.785 1.00 0.00 C ATOM 142 NZ LYS A 11 -17.235 -8.883 -2.852 1.00 0.00 N ATOM 0 H LYS A 11 -15.929 -14.060 2.272 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.176 -12.632 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.404 -13.965 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.189 -12.515 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.008 -12.212 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.565 -12.819 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.656 -10.820 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.060 -10.199 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.488 -10.062 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.971 -10.878 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.154 -8.495 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.239 -9.013 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.802 -8.223 -2.175 1.00 0.00 H new ATOM 156 N GLY A 12 -14.688 -10.281 1.105 1.00 0.00 N ATOM 157 CA GLY A 12 -14.795 -8.964 1.706 1.00 0.00 C ATOM 158 C GLY A 12 -13.472 -8.224 1.721 1.00 0.00 C ATOM 159 O GLY A 12 -12.432 -8.792 1.390 1.00 0.00 O ATOM 0 H GLY A 12 -14.128 -10.320 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.530 -8.376 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.164 -9.063 2.727 1.00 0.00 H new ATOM 163 N ASN A 13 -13.512 -6.952 2.103 1.00 0.00 N ATOM 164 CA ASN A 13 -12.307 -6.132 2.157 1.00 0.00 C ATOM 165 C ASN A 13 -11.335 -6.663 3.207 1.00 0.00 C ATOM 166 O ASN A 13 -11.697 -7.494 4.040 1.00 0.00 O ATOM 167 CB ASN A 13 -12.668 -4.678 2.469 1.00 0.00 C ATOM 168 CG ASN A 13 -13.754 -4.144 1.556 1.00 0.00 C ATOM 169 OD1 ASN A 13 -14.938 -4.410 1.760 1.00 0.00 O ATOM 170 ND2 ASN A 13 -13.354 -3.385 0.542 1.00 0.00 N ATOM 0 H ASN A 13 -14.365 -6.467 2.380 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.822 -6.178 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.998 -4.603 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -11.778 -4.057 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.040 -2.997 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.361 -3.190 0.411 1.00 0.00 H new ATOM 177 N LEU A 14 -10.099 -6.177 3.160 1.00 0.00 N ATOM 178 CA LEU A 14 -9.074 -6.601 4.107 1.00 0.00 C ATOM 179 C LEU A 14 -9.050 -5.688 5.329 1.00 0.00 C ATOM 180 O LEU A 14 -9.393 -4.507 5.259 1.00 0.00 O ATOM 181 CB LEU A 14 -7.701 -6.607 3.433 1.00 0.00 C ATOM 182 CG LEU A 14 -7.670 -7.072 1.977 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.450 -6.511 1.263 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.682 -8.592 1.902 1.00 0.00 C ATOM 0 H LEU A 14 -9.783 -5.489 2.476 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.314 -7.612 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.291 -5.598 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.037 -7.248 4.012 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.563 -6.696 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.445 -6.853 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.484 -5.422 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.545 -6.856 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.660 -8.905 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.808 -8.989 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.587 -8.973 2.376 1.00 0.00 H new ATOM 196 N PRO A 15 -8.632 -6.244 6.475 1.00 0.00 N ATOM 197 CA PRO A 15 -8.550 -5.497 7.734 1.00 0.00 C ATOM 198 C PRO A 15 -7.435 -4.457 7.719 1.00 0.00 C ATOM 199 O PRO A 15 -6.356 -4.698 7.179 1.00 0.00 O ATOM 200 CB PRO A 15 -8.255 -6.582 8.772 1.00 0.00 C ATOM 201 CG PRO A 15 -7.592 -7.672 8.003 1.00 0.00 C ATOM 202 CD PRO A 15 -8.208 -7.646 6.632 1.00 0.00 C ATOM 0 HA PRO A 15 -9.462 -4.934 7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.608 -6.206 9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.170 -6.934 9.248 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.515 -7.513 7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.748 -8.638 8.483 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.492 -7.938 5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.052 -8.332 6.558 1.00 0.00 H new ATOM 210 N ALA A 16 -7.704 -3.300 8.315 1.00 0.00 N ATOM 211 CA ALA A 16 -6.722 -2.224 8.372 1.00 0.00 C ATOM 212 C ALA A 16 -5.329 -2.768 8.673 1.00 0.00 C ATOM 213 O ALA A 16 -4.409 -2.619 7.870 1.00 0.00 O ATOM 214 CB ALA A 16 -7.126 -1.195 9.418 1.00 0.00 C ATOM 0 H ALA A 16 -8.593 -3.084 8.765 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.692 -1.741 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.384 -0.397 9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.098 -0.776 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.186 -1.674 10.395 1.00 0.00 H new ATOM 220 N GLU A 17 -5.182 -3.397 9.835 1.00 0.00 N ATOM 221 CA GLU A 17 -3.900 -3.960 10.242 1.00 0.00 C ATOM 222 C GLU A 17 -3.156 -4.539 9.042 1.00 0.00 C ATOM 223 O GLU A 17 -1.960 -4.303 8.867 1.00 0.00 O ATOM 224 CB GLU A 17 -4.108 -5.047 11.299 1.00 0.00 C ATOM 225 CG GLU A 17 -5.050 -6.154 10.858 1.00 0.00 C ATOM 226 CD GLU A 17 -5.170 -7.262 11.886 1.00 0.00 C ATOM 227 OE1 GLU A 17 -5.986 -7.119 12.820 1.00 0.00 O ATOM 228 OE2 GLU A 17 -4.448 -8.273 11.755 1.00 0.00 O ATOM 0 H GLU A 17 -5.935 -3.529 10.511 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.298 -3.158 10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.142 -5.484 11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.500 -4.589 12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.037 -5.732 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.696 -6.574 9.917 1.00 0.00 H new ATOM 235 N SER A 18 -3.871 -5.298 8.218 1.00 0.00 N ATOM 236 CA SER A 18 -3.279 -5.914 7.037 1.00 0.00 C ATOM 237 C SER A 18 -3.082 -4.885 5.928 1.00 0.00 C ATOM 238 O SER A 18 -2.078 -4.907 5.216 1.00 0.00 O ATOM 239 CB SER A 18 -4.161 -7.059 6.536 1.00 0.00 C ATOM 240 OG SER A 18 -3.886 -7.359 5.179 1.00 0.00 O ATOM 0 H SER A 18 -4.862 -5.501 8.347 1.00 0.00 H new ATOM 0 HA SER A 18 -2.304 -6.312 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.994 -7.945 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.211 -6.788 6.646 1.00 0.00 H new ATOM 0 HG SER A 18 -4.442 -6.797 4.600 1.00 0.00 H new ATOM 246 N VAL A 19 -4.049 -3.984 5.788 1.00 0.00 N ATOM 247 CA VAL A 19 -3.983 -2.945 4.767 1.00 0.00 C ATOM 248 C VAL A 19 -2.691 -2.144 4.880 1.00 0.00 C ATOM 249 O VAL A 19 -1.948 -2.003 3.908 1.00 0.00 O ATOM 250 CB VAL A 19 -5.181 -1.982 4.868 1.00 0.00 C ATOM 251 CG1 VAL A 19 -5.104 -0.918 3.784 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.491 -2.751 4.779 1.00 0.00 C ATOM 0 H VAL A 19 -4.887 -3.953 6.368 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.011 -3.449 3.801 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.143 -1.483 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.959 -0.247 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.182 -0.348 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.116 -1.395 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.327 -2.055 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.540 -3.278 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.546 -3.471 5.595 1.00 0.00 H new ATOM 262 N LYS A 20 -2.428 -1.622 6.073 1.00 0.00 N ATOM 263 CA LYS A 20 -1.224 -0.836 6.316 1.00 0.00 C ATOM 264 C LYS A 20 -0.025 -1.439 5.592 1.00 0.00 C ATOM 265 O LYS A 20 0.771 -0.722 4.984 1.00 0.00 O ATOM 266 CB LYS A 20 -0.938 -0.753 7.817 1.00 0.00 C ATOM 267 CG LYS A 20 0.344 -0.010 8.152 1.00 0.00 C ATOM 268 CD LYS A 20 0.291 0.593 9.545 1.00 0.00 C ATOM 269 CE LYS A 20 -0.506 1.888 9.562 1.00 0.00 C ATOM 270 NZ LYS A 20 -1.106 2.153 10.899 1.00 0.00 N ATOM 0 H LYS A 20 -3.033 -1.729 6.887 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.392 0.169 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.774 -0.258 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.880 -1.763 8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.190 -0.693 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.510 0.779 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.159 -0.121 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.304 0.783 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.144 2.718 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.296 1.838 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.641 3.044 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.746 1.374 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.351 2.226 11.610 1.00 0.00 H new ATOM 284 N ILE A 21 0.098 -2.761 5.659 1.00 0.00 N ATOM 285 CA ILE A 21 1.198 -3.460 5.008 1.00 0.00 C ATOM 286 C ILE A 21 1.180 -3.231 3.501 1.00 0.00 C ATOM 287 O ILE A 21 2.197 -2.876 2.903 1.00 0.00 O ATOM 288 CB ILE A 21 1.147 -4.974 5.286 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.371 -5.249 6.775 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.184 -5.702 4.445 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.092 -5.292 7.581 1.00 0.00 C ATOM 0 H ILE A 21 -0.551 -3.369 6.158 1.00 0.00 H new ATOM 0 HA ILE A 21 2.120 -3.053 5.424 1.00 0.00 H new ATOM 0 HB ILE A 21 0.160 -5.346 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.893 -6.199 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.023 -4.478 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.136 -6.771 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.982 -5.528 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.178 -5.329 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.327 -5.491 8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.421 -4.334 7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.553 -6.082 7.198 1.00 0.00 H new ATOM 303 N LEU A 22 0.017 -3.434 2.891 1.00 0.00 N ATOM 304 CA LEU A 22 -0.135 -3.247 1.453 1.00 0.00 C ATOM 305 C LEU A 22 -0.004 -1.775 1.077 1.00 0.00 C ATOM 306 O LEU A 22 0.837 -1.406 0.256 1.00 0.00 O ATOM 307 CB LEU A 22 -1.491 -3.784 0.990 1.00 0.00 C ATOM 308 CG LEU A 22 -1.694 -5.294 1.116 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.051 -5.698 0.563 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.579 -6.043 0.400 1.00 0.00 C ATOM 0 H LEU A 22 -0.834 -3.728 3.370 1.00 0.00 H new ATOM 0 HA LEU A 22 0.659 -3.802 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.272 -3.284 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.633 -3.505 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.662 -5.559 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.178 -6.776 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.837 -5.188 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.113 -5.420 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.739 -7.117 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.579 -5.773 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.381 -5.777 0.843 1.00 0.00 H new ATOM 322 N ARG A 23 -0.837 -0.937 1.685 1.00 0.00 N ATOM 323 CA ARG A 23 -0.813 0.495 1.416 1.00 0.00 C ATOM 324 C ARG A 23 0.617 1.027 1.428 1.00 0.00 C ATOM 325 O ARG A 23 1.097 1.568 0.432 1.00 0.00 O ATOM 326 CB ARG A 23 -1.656 1.245 2.450 1.00 0.00 C ATOM 327 CG ARG A 23 -3.128 1.341 2.082 1.00 0.00 C ATOM 328 CD ARG A 23 -3.895 2.199 3.074 1.00 0.00 C ATOM 329 NE ARG A 23 -3.726 1.732 4.448 1.00 0.00 N ATOM 330 CZ ARG A 23 -4.366 2.257 5.487 1.00 0.00 C ATOM 331 NH1 ARG A 23 -5.213 3.262 5.309 1.00 0.00 N ATOM 332 NH2 ARG A 23 -4.159 1.777 6.706 1.00 0.00 N ATOM 0 H ARG A 23 -1.537 -1.226 2.368 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.235 0.659 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.563 0.745 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.255 2.251 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.227 1.763 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.562 0.342 2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.556 3.232 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.954 2.192 2.816 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.081 0.960 4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.374 3.633 4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.703 3.663 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.508 1.004 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.651 2.181 7.503 1.00 0.00 H new ATOM 346 N ASP A 24 1.292 0.869 2.561 1.00 0.00 N ATOM 347 CA ASP A 24 2.667 1.332 2.704 1.00 0.00 C ATOM 348 C ASP A 24 3.447 1.124 1.409 1.00 0.00 C ATOM 349 O ASP A 24 4.210 1.992 0.986 1.00 0.00 O ATOM 350 CB ASP A 24 3.358 0.599 3.854 1.00 0.00 C ATOM 351 CG ASP A 24 4.523 1.384 4.424 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.423 2.627 4.495 1.00 0.00 O ATOM 353 OD2 ASP A 24 5.534 0.756 4.801 1.00 0.00 O ATOM 0 H ASP A 24 0.909 0.423 3.395 1.00 0.00 H new ATOM 0 HA ASP A 24 2.644 2.399 2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.633 0.404 4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.714 -0.369 3.502 1.00 0.00 H new ATOM 358 N TRP A 25 3.251 -0.033 0.787 1.00 0.00 N ATOM 359 CA TRP A 25 3.938 -0.356 -0.459 1.00 0.00 C ATOM 360 C TRP A 25 3.322 0.400 -1.631 1.00 0.00 C ATOM 361 O TRP A 25 4.018 1.109 -2.359 1.00 0.00 O ATOM 362 CB TRP A 25 3.881 -1.862 -0.721 1.00 0.00 C ATOM 363 CG TRP A 25 4.576 -2.271 -1.984 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.854 -2.740 -2.102 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.032 -2.247 -3.309 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.137 -3.008 -3.419 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.036 -2.715 -4.180 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.795 -1.877 -3.843 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.838 -2.821 -5.554 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.601 -1.982 -5.207 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.617 -2.451 -6.050 1.00 0.00 C ATOM 0 H TRP A 25 2.623 -0.763 1.124 1.00 0.00 H new ATOM 0 HA TRP A 25 4.980 -0.051 -0.361 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.333 -2.387 0.120 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.838 -2.176 -0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.541 -2.879 -1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.024 -3.367 -3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.005 -1.516 -3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.620 -3.182 -6.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.649 -1.697 -5.631 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.433 -2.522 -7.112 1.00 0.00 H new ATOM 382 N MET A 26 2.015 0.245 -1.809 1.00 0.00 N ATOM 383 CA MET A 26 1.306 0.915 -2.893 1.00 0.00 C ATOM 384 C MET A 26 1.664 2.397 -2.942 1.00 0.00 C ATOM 385 O MET A 26 1.463 3.061 -3.959 1.00 0.00 O ATOM 386 CB MET A 26 -0.205 0.749 -2.723 1.00 0.00 C ATOM 387 CG MET A 26 -1.021 1.525 -3.745 1.00 0.00 C ATOM 388 SD MET A 26 -2.794 1.429 -3.435 1.00 0.00 S ATOM 389 CE MET A 26 -3.397 0.969 -5.057 1.00 0.00 C ATOM 0 H MET A 26 1.425 -0.339 -1.217 1.00 0.00 H new ATOM 0 HA MET A 26 1.611 0.454 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.457 -0.309 -2.797 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.488 1.074 -1.722 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.710 2.570 -3.735 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.809 1.139 -4.742 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.418 0.597 -4.974 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.380 1.840 -5.712 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.760 0.189 -5.474 1.00 0.00 H new ATOM 399 N TYR A 27 2.194 2.910 -1.837 1.00 0.00 N ATOM 400 CA TYR A 27 2.577 4.314 -1.754 1.00 0.00 C ATOM 401 C TYR A 27 3.868 4.574 -2.525 1.00 0.00 C ATOM 402 O TYR A 27 3.947 5.498 -3.334 1.00 0.00 O ATOM 403 CB TYR A 27 2.750 4.731 -0.292 1.00 0.00 C ATOM 404 CG TYR A 27 2.943 6.219 -0.106 1.00 0.00 C ATOM 405 CD1 TYR A 27 1.902 7.109 -0.341 1.00 0.00 C ATOM 406 CD2 TYR A 27 4.166 6.735 0.306 1.00 0.00 C ATOM 407 CE1 TYR A 27 2.074 8.470 -0.173 1.00 0.00 C ATOM 408 CE2 TYR A 27 4.346 8.094 0.478 1.00 0.00 C ATOM 409 CZ TYR A 27 3.298 8.957 0.237 1.00 0.00 C ATOM 410 OH TYR A 27 3.473 10.311 0.407 1.00 0.00 O ATOM 0 H TYR A 27 2.368 2.374 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 27 1.781 4.908 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.874 4.413 0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.608 4.206 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.942 6.731 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.990 6.062 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.255 9.148 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.303 8.478 0.800 1.00 0.00 H new ATOM 0 HH TYR A 27 4.141 10.469 1.106 1.00 0.00 H new ATOM 420 N LYS A 28 4.878 3.750 -2.268 1.00 0.00 N ATOM 421 CA LYS A 28 6.166 3.886 -2.937 1.00 0.00 C ATOM 422 C LYS A 28 6.041 3.580 -4.426 1.00 0.00 C ATOM 423 O LYS A 28 6.695 4.211 -5.258 1.00 0.00 O ATOM 424 CB LYS A 28 7.197 2.952 -2.299 1.00 0.00 C ATOM 425 CG LYS A 28 7.647 3.396 -0.918 1.00 0.00 C ATOM 426 CD LYS A 28 8.661 2.432 -0.325 1.00 0.00 C ATOM 427 CE LYS A 28 9.324 3.013 0.914 1.00 0.00 C ATOM 428 NZ LYS A 28 10.459 3.912 0.566 1.00 0.00 N ATOM 0 H LYS A 28 4.829 2.980 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 28 6.499 4.918 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.773 1.950 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.067 2.885 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.084 4.393 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.782 3.467 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.167 1.495 -0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.421 2.198 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.586 3.567 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.684 2.202 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.884 4.288 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.175 3.377 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.112 4.700 -0.017 1.00 0.00 H new ATOM 442 N HIS A 29 5.196 2.608 -4.757 1.00 0.00 N ATOM 443 CA HIS A 29 4.984 2.220 -6.147 1.00 0.00 C ATOM 444 C HIS A 29 3.682 2.809 -6.682 1.00 0.00 C ATOM 445 O HIS A 29 3.286 2.536 -7.816 1.00 0.00 O ATOM 446 CB HIS A 29 4.959 0.697 -6.275 1.00 0.00 C ATOM 447 CG HIS A 29 6.081 0.017 -5.553 1.00 0.00 C ATOM 448 ND1 HIS A 29 7.077 -0.684 -6.199 1.00 0.00 N ATOM 449 CD2 HIS A 29 6.361 -0.066 -4.231 1.00 0.00 C ATOM 450 CE1 HIS A 29 7.921 -1.170 -5.307 1.00 0.00 C ATOM 451 NE2 HIS A 29 7.509 -0.808 -4.105 1.00 0.00 N ATOM 0 H HIS A 29 4.648 2.075 -4.082 1.00 0.00 H new ATOM 0 HA HIS A 29 5.811 2.613 -6.739 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.010 0.324 -5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.002 0.429 -7.331 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.788 0.370 -3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.798 -1.762 -5.523 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.970 -1.042 -3.226 1.00 0.00 H new ATOM 460 N ARG A 30 3.021 3.617 -5.860 1.00 0.00 N ATOM 461 CA ARG A 30 1.763 4.242 -6.250 1.00 0.00 C ATOM 462 C ARG A 30 1.781 4.623 -7.728 1.00 0.00 C ATOM 463 O ARG A 30 0.740 4.648 -8.386 1.00 0.00 O ATOM 464 CB ARG A 30 1.499 5.483 -5.396 1.00 0.00 C ATOM 465 CG ARG A 30 2.455 6.631 -5.677 1.00 0.00 C ATOM 466 CD ARG A 30 2.344 7.721 -4.622 1.00 0.00 C ATOM 467 NE ARG A 30 3.302 8.800 -4.847 1.00 0.00 N ATOM 468 CZ ARG A 30 3.591 9.726 -3.939 1.00 0.00 C ATOM 469 NH1 ARG A 30 3.000 9.704 -2.753 1.00 0.00 N ATOM 470 NH2 ARG A 30 4.474 10.676 -4.218 1.00 0.00 N ATOM 0 H ARG A 30 3.336 3.854 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 30 0.962 3.521 -6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.477 5.822 -5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.571 5.211 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.478 6.255 -5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.241 7.051 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.333 8.128 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.510 7.289 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 30 3.775 8.845 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.321 8.975 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.224 10.416 -2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.931 10.696 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.696 11.387 -3.521 1.00 0.00 H new ATOM 484 N PHE A 31 2.969 4.920 -8.243 1.00 0.00 N ATOM 485 CA PHE A 31 3.122 5.301 -9.642 1.00 0.00 C ATOM 486 C PHE A 31 2.522 4.243 -10.563 1.00 0.00 C ATOM 487 O PHE A 31 1.755 4.558 -11.473 1.00 0.00 O ATOM 488 CB PHE A 31 4.601 5.505 -9.978 1.00 0.00 C ATOM 489 CG PHE A 31 4.836 6.531 -11.050 1.00 0.00 C ATOM 490 CD1 PHE A 31 4.327 7.813 -10.923 1.00 0.00 C ATOM 491 CD2 PHE A 31 5.567 6.213 -12.183 1.00 0.00 C ATOM 492 CE1 PHE A 31 4.541 8.759 -11.909 1.00 0.00 C ATOM 493 CE2 PHE A 31 5.785 7.154 -13.171 1.00 0.00 C ATOM 494 CZ PHE A 31 5.272 8.429 -13.033 1.00 0.00 C ATOM 0 H PHE A 31 3.840 4.904 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 31 2.588 6.238 -9.798 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.132 5.806 -9.075 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.028 4.554 -10.297 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.757 8.077 -10.044 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.971 5.218 -12.295 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.137 9.755 -11.800 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.356 6.893 -14.050 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.442 9.167 -13.803 1.00 0.00 H new ATOM 504 N LYS A 32 2.876 2.985 -10.320 1.00 0.00 N ATOM 505 CA LYS A 32 2.373 1.879 -11.125 1.00 0.00 C ATOM 506 C LYS A 32 1.290 1.109 -10.376 1.00 0.00 C ATOM 507 O LYS A 32 0.304 0.673 -10.968 1.00 0.00 O ATOM 508 CB LYS A 32 3.517 0.934 -11.502 1.00 0.00 C ATOM 509 CG LYS A 32 4.239 0.344 -10.303 1.00 0.00 C ATOM 510 CD LYS A 32 5.703 0.078 -10.609 1.00 0.00 C ATOM 511 CE LYS A 32 6.571 1.280 -10.272 1.00 0.00 C ATOM 512 NZ LYS A 32 6.729 2.194 -11.437 1.00 0.00 N ATOM 0 H LYS A 32 3.510 2.707 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 32 1.937 2.293 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.121 0.122 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.235 1.475 -12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.162 1.028 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.754 -0.586 -10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.043 -0.788 -10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.816 -0.169 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.128 1.826 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.552 0.938 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.546 2.818 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.882 1.634 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.870 2.769 -11.546 1.00 0.00 H new ATOM 526 N ALA A 33 1.481 0.948 -9.071 1.00 0.00 N ATOM 527 CA ALA A 33 0.518 0.234 -8.241 1.00 0.00 C ATOM 528 C ALA A 33 0.295 -1.184 -8.755 1.00 0.00 C ATOM 529 O ALA A 33 -0.822 -1.699 -8.719 1.00 0.00 O ATOM 530 CB ALA A 33 -0.800 0.993 -8.191 1.00 0.00 C ATOM 0 H ALA A 33 2.293 1.302 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 33 0.925 0.167 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.510 0.449 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.633 1.984 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.202 1.090 -9.199 1.00 0.00 H new ATOM 536 N TYR A 34 1.365 -1.810 -9.233 1.00 0.00 N ATOM 537 CA TYR A 34 1.285 -3.168 -9.757 1.00 0.00 C ATOM 538 C TYR A 34 2.438 -4.021 -9.237 1.00 0.00 C ATOM 539 O TYR A 34 3.507 -4.103 -9.844 1.00 0.00 O ATOM 540 CB TYR A 34 1.300 -3.149 -11.286 1.00 0.00 C ATOM 541 CG TYR A 34 0.080 -2.494 -11.895 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.194 -2.774 -11.417 1.00 0.00 C ATOM 543 CD2 TYR A 34 0.202 -1.595 -12.948 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.311 -2.179 -11.971 1.00 0.00 C ATOM 545 CE2 TYR A 34 -0.909 -0.994 -13.506 1.00 0.00 C ATOM 546 CZ TYR A 34 -2.164 -1.289 -13.014 1.00 0.00 C ATOM 547 OH TYR A 34 -3.273 -0.694 -13.569 1.00 0.00 O ATOM 0 H TYR A 34 2.298 -1.399 -9.268 1.00 0.00 H new ATOM 0 HA TYR A 34 0.348 -3.607 -9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.192 -2.623 -11.626 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.374 -4.173 -11.653 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.313 -3.468 -10.599 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.183 -1.363 -13.336 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.295 -2.410 -11.589 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.796 -0.297 -14.323 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.995 -0.094 -14.292 1.00 0.00 H new ATOM 557 N PRO A 35 2.218 -4.673 -8.086 1.00 0.00 N ATOM 558 CA PRO A 35 3.226 -5.533 -7.458 1.00 0.00 C ATOM 559 C PRO A 35 3.470 -6.813 -8.250 1.00 0.00 C ATOM 560 O PRO A 35 2.553 -7.362 -8.860 1.00 0.00 O ATOM 561 CB PRO A 35 2.615 -5.858 -6.093 1.00 0.00 C ATOM 562 CG PRO A 35 1.145 -5.716 -6.293 1.00 0.00 C ATOM 563 CD PRO A 35 0.969 -4.622 -7.308 1.00 0.00 C ATOM 0 HA PRO A 35 4.199 -5.045 -7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.875 -6.867 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.978 -5.176 -5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.707 -6.650 -6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.646 -5.464 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.096 -4.795 -7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.831 -3.651 -6.832 1.00 0.00 H new ATOM 571 N SER A 36 4.713 -7.284 -8.237 1.00 0.00 N ATOM 572 CA SER A 36 5.079 -8.498 -8.957 1.00 0.00 C ATOM 573 C SER A 36 4.819 -9.735 -8.103 1.00 0.00 C ATOM 574 O SER A 36 4.827 -9.667 -6.874 1.00 0.00 O ATOM 575 CB SER A 36 6.551 -8.449 -9.369 1.00 0.00 C ATOM 576 OG SER A 36 6.948 -9.659 -9.990 1.00 0.00 O ATOM 0 H SER A 36 5.484 -6.843 -7.735 1.00 0.00 H new ATOM 0 HA SER A 36 4.461 -8.559 -9.853 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.713 -7.616 -10.053 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.171 -8.266 -8.492 1.00 0.00 H new ATOM 0 HG SER A 36 7.892 -9.601 -10.245 1.00 0.00 H new ATOM 582 N GLU A 37 4.590 -10.866 -8.764 1.00 0.00 N ATOM 583 CA GLU A 37 4.328 -12.119 -8.065 1.00 0.00 C ATOM 584 C GLU A 37 5.102 -12.182 -6.752 1.00 0.00 C ATOM 585 O GLU A 37 4.570 -12.606 -5.726 1.00 0.00 O ATOM 586 CB GLU A 37 4.704 -13.310 -8.949 1.00 0.00 C ATOM 587 CG GLU A 37 3.727 -13.556 -10.087 1.00 0.00 C ATOM 588 CD GLU A 37 2.498 -14.326 -9.645 1.00 0.00 C ATOM 589 OE1 GLU A 37 1.580 -13.701 -9.074 1.00 0.00 O ATOM 590 OE2 GLU A 37 2.455 -15.554 -9.869 1.00 0.00 O ATOM 0 H GLU A 37 4.581 -10.940 -9.781 1.00 0.00 H new ATOM 0 HA GLU A 37 3.262 -12.164 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.698 -13.144 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.762 -14.206 -8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.419 -12.600 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.231 -14.108 -10.881 1.00 0.00 H new ATOM 597 N GLU A 38 6.361 -11.757 -6.792 1.00 0.00 N ATOM 598 CA GLU A 38 7.208 -11.766 -5.605 1.00 0.00 C ATOM 599 C GLU A 38 6.666 -10.815 -4.542 1.00 0.00 C ATOM 600 O GLU A 38 6.498 -11.194 -3.384 1.00 0.00 O ATOM 601 CB GLU A 38 8.641 -11.376 -5.972 1.00 0.00 C ATOM 602 CG GLU A 38 9.697 -12.095 -5.149 1.00 0.00 C ATOM 603 CD GLU A 38 10.954 -11.267 -4.961 1.00 0.00 C ATOM 604 OE1 GLU A 38 11.368 -10.589 -5.924 1.00 0.00 O ATOM 605 OE2 GLU A 38 11.523 -11.299 -3.850 1.00 0.00 O ATOM 0 H GLU A 38 6.817 -11.402 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 38 7.207 -12.777 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.808 -11.589 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.761 -10.300 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.283 -12.346 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.955 -13.035 -5.637 1.00 0.00 H new ATOM 612 N GLU A 39 6.396 -9.578 -4.946 1.00 0.00 N ATOM 613 CA GLU A 39 5.875 -8.572 -4.028 1.00 0.00 C ATOM 614 C GLU A 39 4.623 -9.080 -3.318 1.00 0.00 C ATOM 615 O GLU A 39 4.546 -9.074 -2.089 1.00 0.00 O ATOM 616 CB GLU A 39 5.559 -7.278 -4.780 1.00 0.00 C ATOM 617 CG GLU A 39 6.740 -6.721 -5.557 1.00 0.00 C ATOM 618 CD GLU A 39 7.808 -6.136 -4.654 1.00 0.00 C ATOM 619 OE1 GLU A 39 8.058 -6.716 -3.576 1.00 0.00 O ATOM 620 OE2 GLU A 39 8.396 -5.099 -5.026 1.00 0.00 O ATOM 0 H GLU A 39 6.529 -9.248 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 39 6.640 -8.370 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.735 -7.461 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.218 -6.528 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.177 -7.514 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.388 -5.951 -6.243 1.00 0.00 H new ATOM 627 N LYS A 40 3.643 -9.519 -4.101 1.00 0.00 N ATOM 628 CA LYS A 40 2.394 -10.031 -3.550 1.00 0.00 C ATOM 629 C LYS A 40 2.658 -11.173 -2.574 1.00 0.00 C ATOM 630 O LYS A 40 2.314 -11.085 -1.396 1.00 0.00 O ATOM 631 CB LYS A 40 1.475 -10.510 -4.676 1.00 0.00 C ATOM 632 CG LYS A 40 1.707 -9.796 -5.996 1.00 0.00 C ATOM 633 CD LYS A 40 0.547 -10.006 -6.955 1.00 0.00 C ATOM 634 CE LYS A 40 0.863 -9.461 -8.340 1.00 0.00 C ATOM 635 NZ LYS A 40 0.021 -10.097 -9.391 1.00 0.00 N ATOM 0 H LYS A 40 3.690 -9.530 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 40 1.905 -9.221 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.620 -11.580 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.438 -10.367 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.842 -8.730 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.627 -10.161 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.319 -11.070 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.344 -9.514 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.705 -8.383 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.916 -9.631 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.290 -9.724 -10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.165 -11.127 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.981 -9.885 -9.209 1.00 0.00 H new ATOM 649 N GLN A 41 3.271 -12.242 -3.072 1.00 0.00 N ATOM 650 CA GLN A 41 3.581 -13.400 -2.242 1.00 0.00 C ATOM 651 C GLN A 41 4.326 -12.981 -0.979 1.00 0.00 C ATOM 652 O GLN A 41 4.145 -13.573 0.084 1.00 0.00 O ATOM 653 CB GLN A 41 4.418 -14.409 -3.031 1.00 0.00 C ATOM 654 CG GLN A 41 4.279 -15.837 -2.529 1.00 0.00 C ATOM 655 CD GLN A 41 2.835 -16.237 -2.297 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.170 -16.753 -3.195 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.342 -16.000 -1.087 1.00 0.00 N ATOM 0 H GLN A 41 3.563 -12.330 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 41 2.641 -13.868 -1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.124 -14.371 -4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.467 -14.116 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.729 -16.517 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.836 -15.947 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.929 -15.570 -0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.376 -16.248 -0.872 1.00 0.00 H new ATOM 666 N MET A 42 5.163 -11.956 -1.104 1.00 0.00 N ATOM 667 CA MET A 42 5.934 -11.457 0.029 1.00 0.00 C ATOM 668 C MET A 42 5.022 -10.798 1.059 1.00 0.00 C ATOM 669 O MET A 42 5.060 -11.136 2.243 1.00 0.00 O ATOM 670 CB MET A 42 6.992 -10.460 -0.446 1.00 0.00 C ATOM 671 CG MET A 42 7.384 -9.440 0.611 1.00 0.00 C ATOM 672 SD MET A 42 8.488 -8.166 -0.029 1.00 0.00 S ATOM 673 CE MET A 42 7.305 -6.982 -0.666 1.00 0.00 C ATOM 0 H MET A 42 5.325 -11.455 -1.978 1.00 0.00 H new ATOM 0 HA MET A 42 6.431 -12.305 0.500 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.881 -11.008 -0.758 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.616 -9.935 -1.324 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.484 -8.970 1.008 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.869 -9.952 1.442 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.831 -6.205 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.603 -7.489 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.760 -6.531 0.163 1.00 0.00 H new ATOM 683 N LEU A 43 4.206 -9.855 0.602 1.00 0.00 N ATOM 684 CA LEU A 43 3.284 -9.147 1.484 1.00 0.00 C ATOM 685 C LEU A 43 2.293 -10.114 2.125 1.00 0.00 C ATOM 686 O LEU A 43 2.020 -10.036 3.323 1.00 0.00 O ATOM 687 CB LEU A 43 2.531 -8.067 0.707 1.00 0.00 C ATOM 688 CG LEU A 43 3.395 -7.068 -0.063 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.668 -6.580 -1.307 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.777 -5.895 0.828 1.00 0.00 C ATOM 0 H LEU A 43 4.164 -9.563 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 43 3.867 -8.676 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.860 -8.557 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.907 -7.512 1.407 1.00 0.00 H new ATOM 0 HG LEU A 43 4.309 -7.573 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.299 -5.870 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.446 -7.428 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.738 -6.092 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.392 -5.194 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.874 -5.390 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.339 -6.259 1.688 1.00 0.00 H new ATOM 702 N SER A 44 1.759 -11.026 1.319 1.00 0.00 N ATOM 703 CA SER A 44 0.797 -12.007 1.806 1.00 0.00 C ATOM 704 C SER A 44 1.295 -12.666 3.089 1.00 0.00 C ATOM 705 O SER A 44 0.506 -13.172 3.886 1.00 0.00 O ATOM 706 CB SER A 44 0.538 -13.073 0.739 1.00 0.00 C ATOM 707 OG SER A 44 0.227 -14.322 1.331 1.00 0.00 O ATOM 0 H SER A 44 1.976 -11.106 0.326 1.00 0.00 H new ATOM 0 HA SER A 44 -0.136 -11.487 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.284 -12.757 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.417 -13.177 0.104 1.00 0.00 H new ATOM 0 HG SER A 44 -0.745 -14.449 1.336 1.00 0.00 H new ATOM 713 N GLU A 45 2.611 -12.655 3.280 1.00 0.00 N ATOM 714 CA GLU A 45 3.215 -13.252 4.465 1.00 0.00 C ATOM 715 C GLU A 45 2.917 -12.417 5.707 1.00 0.00 C ATOM 716 O GLU A 45 2.714 -12.954 6.797 1.00 0.00 O ATOM 717 CB GLU A 45 4.728 -13.388 4.280 1.00 0.00 C ATOM 718 CG GLU A 45 5.121 -14.367 3.186 1.00 0.00 C ATOM 719 CD GLU A 45 6.581 -14.771 3.262 1.00 0.00 C ATOM 720 OE1 GLU A 45 7.433 -14.008 2.759 1.00 0.00 O ATOM 721 OE2 GLU A 45 6.871 -15.848 3.822 1.00 0.00 O ATOM 0 H GLU A 45 3.278 -12.240 2.630 1.00 0.00 H new ATOM 0 HA GLU A 45 2.782 -14.243 4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.147 -12.409 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.173 -13.710 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.497 -15.258 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.922 -13.918 2.213 1.00 0.00 H new ATOM 728 N LYS A 46 2.893 -11.100 5.535 1.00 0.00 N ATOM 729 CA LYS A 46 2.619 -10.188 6.640 1.00 0.00 C ATOM 730 C LYS A 46 1.120 -9.955 6.795 1.00 0.00 C ATOM 731 O LYS A 46 0.622 -9.762 7.904 1.00 0.00 O ATOM 732 CB LYS A 46 3.334 -8.854 6.416 1.00 0.00 C ATOM 733 CG LYS A 46 4.848 -8.961 6.451 1.00 0.00 C ATOM 734 CD LYS A 46 5.421 -9.224 5.069 1.00 0.00 C ATOM 735 CE LYS A 46 5.738 -7.927 4.341 1.00 0.00 C ATOM 736 NZ LYS A 46 6.947 -7.260 4.898 1.00 0.00 N ATOM 0 H LYS A 46 3.060 -10.640 4.640 1.00 0.00 H new ATOM 0 HA LYS A 46 2.993 -10.644 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.029 -8.446 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.011 -8.146 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.270 -8.039 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.141 -9.765 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.327 -9.823 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.709 -9.806 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.892 -8.133 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.885 -7.252 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.289 -6.544 4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.706 -6.802 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.692 -7.968 5.058 1.00 0.00 H new ATOM 750 N THR A 47 0.404 -9.975 5.675 1.00 0.00 N ATOM 751 CA THR A 47 -1.038 -9.766 5.686 1.00 0.00 C ATOM 752 C THR A 47 -1.784 -11.084 5.864 1.00 0.00 C ATOM 753 O THR A 47 -2.922 -11.106 6.330 1.00 0.00 O ATOM 754 CB THR A 47 -1.518 -9.089 4.388 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.111 -9.863 3.253 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.959 -7.679 4.274 1.00 0.00 C ATOM 0 H THR A 47 0.800 -10.134 4.749 1.00 0.00 H new ATOM 0 HA THR A 47 -1.255 -9.112 6.530 1.00 0.00 H new ATOM 0 HB THR A 47 -2.606 -9.030 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.278 -9.353 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.312 -7.221 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.294 -7.085 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.130 -7.719 4.266 1.00 0.00 H new ATOM 764 N ASN A 48 -1.133 -12.181 5.490 1.00 0.00 N ATOM 765 CA ASN A 48 -1.735 -13.504 5.609 1.00 0.00 C ATOM 766 C ASN A 48 -2.912 -13.655 4.650 1.00 0.00 C ATOM 767 O ASN A 48 -3.865 -14.383 4.929 1.00 0.00 O ATOM 768 CB ASN A 48 -2.200 -13.749 7.046 1.00 0.00 C ATOM 769 CG ASN A 48 -2.268 -15.224 7.389 1.00 0.00 C ATOM 770 OD1 ASN A 48 -1.579 -15.617 8.454 1.00 0.00 O flip ATOM 771 ND2 ASN A 48 -2.934 -16.002 6.704 1.00 0.00 N flip ATOM 0 H ASN A 48 -0.190 -12.180 5.102 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.979 -14.244 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.519 -13.250 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.183 -13.300 7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.448 -15.656 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.971 -16.992 6.947 1.00 0.00 H new ATOM 778 N LEU A 49 -2.838 -12.962 3.519 1.00 0.00 N ATOM 779 CA LEU A 49 -3.897 -13.018 2.517 1.00 0.00 C ATOM 780 C LEU A 49 -3.508 -13.940 1.365 1.00 0.00 C ATOM 781 O LEU A 49 -2.444 -14.558 1.384 1.00 0.00 O ATOM 782 CB LEU A 49 -4.197 -11.616 1.984 1.00 0.00 C ATOM 783 CG LEU A 49 -4.473 -10.543 3.037 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.399 -9.156 2.418 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.832 -10.768 3.684 1.00 0.00 C ATOM 0 H LEU A 49 -2.056 -12.355 3.273 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.792 -13.418 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.352 -11.292 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.061 -11.678 1.322 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.708 -10.615 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.598 -8.405 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.404 -8.996 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.142 -9.072 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.012 -9.995 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.610 -10.724 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.849 -11.747 4.163 1.00 0.00 H new ATOM 797 N SER A 50 -4.377 -14.024 0.362 1.00 0.00 N ATOM 798 CA SER A 50 -4.125 -14.871 -0.797 1.00 0.00 C ATOM 799 C SER A 50 -3.758 -14.029 -2.016 1.00 0.00 C ATOM 800 O SER A 50 -4.370 -12.992 -2.275 1.00 0.00 O ATOM 801 CB SER A 50 -5.354 -15.728 -1.106 1.00 0.00 C ATOM 802 OG SER A 50 -5.563 -16.702 -0.099 1.00 0.00 O ATOM 0 H SER A 50 -5.261 -13.516 0.329 1.00 0.00 H new ATOM 0 HA SER A 50 -3.285 -15.525 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.234 -15.091 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.225 -16.219 -2.070 1.00 0.00 H new ATOM 0 HG SER A 50 -6.355 -17.235 -0.319 1.00 0.00 H new ATOM 808 N LEU A 51 -2.756 -14.483 -2.761 1.00 0.00 N ATOM 809 CA LEU A 51 -2.307 -13.772 -3.953 1.00 0.00 C ATOM 810 C LEU A 51 -3.490 -13.183 -4.714 1.00 0.00 C ATOM 811 O LEU A 51 -3.408 -12.077 -5.250 1.00 0.00 O ATOM 812 CB LEU A 51 -1.517 -14.714 -4.864 1.00 0.00 C ATOM 813 CG LEU A 51 -0.145 -15.151 -4.351 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.584 -15.968 -5.406 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.682 -13.941 -3.943 1.00 0.00 C ATOM 0 H LEU A 51 -2.239 -15.339 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.660 -12.954 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.118 -15.606 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.383 -14.226 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.290 -15.779 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.559 -16.270 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.002 -16.855 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.718 -15.365 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.655 -14.271 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.818 -13.286 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.166 -13.397 -3.152 1.00 0.00 H new ATOM 827 N LEU A 52 -4.590 -13.926 -4.755 1.00 0.00 N ATOM 828 CA LEU A 52 -5.792 -13.477 -5.449 1.00 0.00 C ATOM 829 C LEU A 52 -6.370 -12.231 -4.785 1.00 0.00 C ATOM 830 O LEU A 52 -6.680 -11.247 -5.455 1.00 0.00 O ATOM 831 CB LEU A 52 -6.840 -14.591 -5.469 1.00 0.00 C ATOM 832 CG LEU A 52 -8.264 -14.166 -5.828 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.350 -13.772 -7.295 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.249 -15.283 -5.516 1.00 0.00 C ATOM 0 H LEU A 52 -4.675 -14.843 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.518 -13.227 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.519 -15.352 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.860 -15.062 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.526 -13.298 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.371 -13.473 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.673 -12.940 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.067 -14.621 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.257 -14.963 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.988 -16.170 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.208 -15.518 -4.452 1.00 0.00 H new ATOM 846 N GLN A 53 -6.508 -12.281 -3.464 1.00 0.00 N ATOM 847 CA GLN A 53 -7.047 -11.155 -2.710 1.00 0.00 C ATOM 848 C GLN A 53 -6.120 -9.948 -2.797 1.00 0.00 C ATOM 849 O GLN A 53 -6.575 -8.813 -2.945 1.00 0.00 O ATOM 850 CB GLN A 53 -7.256 -11.548 -1.246 1.00 0.00 C ATOM 851 CG GLN A 53 -8.417 -12.505 -1.033 1.00 0.00 C ATOM 852 CD GLN A 53 -8.891 -12.537 0.407 1.00 0.00 C ATOM 853 OE1 GLN A 53 -9.903 -11.927 0.753 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.159 -13.250 1.256 1.00 0.00 N ATOM 0 H GLN A 53 -6.254 -13.088 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.008 -10.884 -3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.343 -12.008 -0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.426 -10.647 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.246 -12.214 -1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.116 -13.508 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.328 -13.740 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.429 -13.308 2.238 1.00 0.00 H new ATOM 863 N ILE A 54 -4.819 -10.199 -2.705 1.00 0.00 N ATOM 864 CA ILE A 54 -3.828 -9.132 -2.775 1.00 0.00 C ATOM 865 C ILE A 54 -4.081 -8.225 -3.974 1.00 0.00 C ATOM 866 O ILE A 54 -4.457 -7.063 -3.818 1.00 0.00 O ATOM 867 CB ILE A 54 -2.398 -9.697 -2.866 1.00 0.00 C ATOM 868 CG1 ILE A 54 -2.058 -10.489 -1.602 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.397 -8.571 -3.077 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.183 -9.681 -0.330 1.00 0.00 C ATOM 0 H ILE A 54 -4.426 -11.132 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.923 -8.552 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.343 -10.371 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.716 -11.356 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.039 -10.868 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.391 -8.986 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.631 -8.045 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.451 -7.874 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.927 -10.307 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.505 -8.829 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.208 -9.324 -0.225 1.00 0.00 H new ATOM 882 N SER A 55 -3.874 -8.763 -5.171 1.00 0.00 N ATOM 883 CA SER A 55 -4.078 -8.002 -6.398 1.00 0.00 C ATOM 884 C SER A 55 -5.498 -7.447 -6.464 1.00 0.00 C ATOM 885 O SER A 55 -5.705 -6.278 -6.786 1.00 0.00 O ATOM 886 CB SER A 55 -3.805 -8.880 -7.620 1.00 0.00 C ATOM 887 OG SER A 55 -2.445 -8.801 -8.012 1.00 0.00 O ATOM 0 H SER A 55 -3.565 -9.724 -5.318 1.00 0.00 H new ATOM 0 HA SER A 55 -3.379 -7.166 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.062 -9.915 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.444 -8.567 -8.446 1.00 0.00 H new ATOM 0 HG SER A 55 -2.391 -8.525 -8.951 1.00 0.00 H new ATOM 893 N ASN A 56 -6.473 -8.296 -6.155 1.00 0.00 N ATOM 894 CA ASN A 56 -7.874 -7.892 -6.179 1.00 0.00 C ATOM 895 C ASN A 56 -8.076 -6.584 -5.421 1.00 0.00 C ATOM 896 O ASN A 56 -8.859 -5.729 -5.835 1.00 0.00 O ATOM 897 CB ASN A 56 -8.753 -8.987 -5.572 1.00 0.00 C ATOM 898 CG ASN A 56 -9.211 -9.999 -6.604 1.00 0.00 C ATOM 899 OD1 ASN A 56 -8.947 -9.849 -7.797 1.00 0.00 O ATOM 900 ND2 ASN A 56 -9.901 -11.038 -6.149 1.00 0.00 N ATOM 0 H ASN A 56 -6.319 -9.267 -5.885 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.164 -7.738 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.199 -9.499 -4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.625 -8.531 -5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.235 -11.752 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.097 -11.123 -5.152 1.00 0.00 H new ATOM 907 N TRP A 57 -7.364 -6.435 -4.310 1.00 0.00 N ATOM 908 CA TRP A 57 -7.465 -5.230 -3.493 1.00 0.00 C ATOM 909 C TRP A 57 -6.743 -4.062 -4.156 1.00 0.00 C ATOM 910 O TRP A 57 -7.238 -2.935 -4.158 1.00 0.00 O ATOM 911 CB TRP A 57 -6.882 -5.483 -2.101 1.00 0.00 C ATOM 912 CG TRP A 57 -6.689 -4.230 -1.302 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.529 -3.728 -0.349 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.588 -3.319 -1.388 1.00 0.00 C ATOM 915 NE1 TRP A 57 -7.016 -2.561 0.162 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.825 -2.289 -0.458 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.423 -3.276 -2.159 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.941 -1.228 -0.281 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.546 -2.222 -1.982 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.808 -1.210 -1.049 1.00 0.00 C ATOM 0 H TRP A 57 -6.711 -7.133 -3.954 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.520 -4.973 -3.396 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.543 -6.156 -1.555 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.923 -5.992 -2.203 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.460 -4.182 -0.042 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.451 -1.989 0.886 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.212 -4.052 -2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.142 -0.447 0.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.643 -2.178 -2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -3.103 -0.400 -0.934 1.00 0.00 H new ATOM 931 N PHE A 58 -5.570 -4.338 -4.717 1.00 0.00 N ATOM 932 CA PHE A 58 -4.780 -3.308 -5.382 1.00 0.00 C ATOM 933 C PHE A 58 -5.579 -2.649 -6.502 1.00 0.00 C ATOM 934 O PHE A 58 -5.402 -1.465 -6.790 1.00 0.00 O ATOM 935 CB PHE A 58 -3.491 -3.910 -5.945 1.00 0.00 C ATOM 936 CG PHE A 58 -2.338 -3.863 -4.984 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.530 -2.740 -4.905 1.00 0.00 C ATOM 938 CD2 PHE A 58 -2.062 -4.941 -4.159 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.468 -2.694 -4.022 1.00 0.00 C ATOM 940 CE2 PHE A 58 -1.001 -4.901 -3.273 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.204 -3.776 -3.204 1.00 0.00 C ATOM 0 H PHE A 58 -5.146 -5.266 -4.724 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.526 -2.546 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.676 -4.946 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.217 -3.376 -6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.733 -1.891 -5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.683 -5.823 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.155 -1.813 -3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.796 -5.749 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.624 -3.742 -2.512 1.00 0.00 H new ATOM 951 N ILE A 59 -6.457 -3.424 -7.130 1.00 0.00 N ATOM 952 CA ILE A 59 -7.283 -2.916 -8.218 1.00 0.00 C ATOM 953 C ILE A 59 -8.236 -1.832 -7.725 1.00 0.00 C ATOM 954 O ILE A 59 -8.078 -0.657 -8.051 1.00 0.00 O ATOM 955 CB ILE A 59 -8.100 -4.042 -8.878 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.167 -5.093 -9.481 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.024 -3.471 -9.944 1.00 0.00 C ATOM 958 CD1 ILE A 59 -7.875 -6.366 -9.891 1.00 0.00 C ATOM 0 H ILE A 59 -6.615 -4.406 -6.904 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.604 -2.490 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.712 -4.523 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.668 -4.668 -10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.390 -5.336 -8.756 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.595 -4.279 -10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.709 -2.756 -9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.431 -2.968 -10.708 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.152 -7.066 -10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.351 -6.815 -9.019 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.633 -6.136 -10.640 1.00 0.00 H new ATOM 970 N ASN A 60 -9.225 -2.237 -6.935 1.00 0.00 N ATOM 971 CA ASN A 60 -10.204 -1.301 -6.395 1.00 0.00 C ATOM 972 C ASN A 60 -9.516 -0.179 -5.623 1.00 0.00 C ATOM 973 O ASN A 60 -10.031 0.935 -5.536 1.00 0.00 O ATOM 974 CB ASN A 60 -11.191 -2.032 -5.483 1.00 0.00 C ATOM 975 CG ASN A 60 -11.469 -3.448 -5.949 1.00 0.00 C ATOM 976 OD1 ASN A 60 -11.016 -4.415 -5.336 1.00 0.00 O ATOM 977 ND2 ASN A 60 -12.217 -3.576 -7.039 1.00 0.00 N ATOM 0 H ASN A 60 -9.370 -3.207 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.749 -0.862 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.793 -2.058 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.127 -1.475 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.437 -4.504 -7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.571 -2.746 -7.515 1.00 0.00 H new ATOM 984 N ALA A 61 -8.348 -0.483 -5.065 1.00 0.00 N ATOM 985 CA ALA A 61 -7.588 0.500 -4.303 1.00 0.00 C ATOM 986 C ALA A 61 -6.899 1.498 -5.227 1.00 0.00 C ATOM 987 O ALA A 61 -6.885 2.699 -4.959 1.00 0.00 O ATOM 988 CB ALA A 61 -6.565 -0.196 -3.417 1.00 0.00 C ATOM 0 H ALA A 61 -7.908 -1.401 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.284 1.051 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.004 0.550 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.078 -0.864 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.879 -0.773 -4.037 1.00 0.00 H new ATOM 994 N ARG A 62 -6.327 0.992 -6.315 1.00 0.00 N ATOM 995 CA ARG A 62 -5.634 1.840 -7.278 1.00 0.00 C ATOM 996 C ARG A 62 -6.614 2.766 -7.991 1.00 0.00 C ATOM 997 O ARG A 62 -6.221 3.573 -8.833 1.00 0.00 O ATOM 998 CB ARG A 62 -4.889 0.982 -8.302 1.00 0.00 C ATOM 999 CG ARG A 62 -3.882 1.760 -9.132 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.405 0.954 -10.330 1.00 0.00 C ATOM 1001 NE ARG A 62 -2.333 1.632 -11.054 1.00 0.00 N ATOM 1002 CZ ARG A 62 -2.534 2.658 -11.874 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -3.761 3.121 -12.072 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -1.508 3.222 -12.497 1.00 0.00 N ATOM 0 H ARG A 62 -6.330 -0.000 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.914 2.451 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.372 0.176 -7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.614 0.516 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.334 2.691 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.028 2.030 -8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.055 -0.022 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.243 0.777 -11.005 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.378 1.300 -10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.552 2.689 -11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.913 3.909 -12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.563 2.868 -12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.664 4.010 -13.126 1.00 0.00 H new ATOM 1018 N ARG A 63 -7.893 2.644 -7.649 1.00 0.00 N ATOM 1019 CA ARG A 63 -8.929 3.468 -8.257 1.00 0.00 C ATOM 1020 C ARG A 63 -9.369 4.578 -7.307 1.00 0.00 C ATOM 1021 O ARG A 63 -9.851 5.625 -7.740 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.133 2.607 -8.646 1.00 0.00 C ATOM 1023 CG ARG A 63 -9.859 1.666 -9.807 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.095 0.859 -10.173 1.00 0.00 C ATOM 1025 NE ARG A 63 -12.216 1.715 -10.549 1.00 0.00 N ATOM 1026 CZ ARG A 63 -13.077 2.225 -9.676 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -12.945 1.967 -8.382 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -14.072 2.996 -10.096 1.00 0.00 N ATOM 0 H ARG A 63 -8.236 1.981 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.513 3.926 -9.155 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.445 2.022 -7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.966 3.259 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.529 2.241 -10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.046 0.989 -9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.858 0.188 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.384 0.234 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.345 1.934 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.181 1.376 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.608 2.360 -7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.176 3.198 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.733 3.387 -9.424 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.201 4.340 -6.010 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.582 5.318 -4.998 1.00 0.00 C ATOM 1044 C ARG A 64 -8.409 5.631 -4.075 1.00 0.00 C ATOM 1045 O ARG A 64 -8.154 6.791 -3.750 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.766 4.801 -4.179 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.662 5.905 -3.640 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.517 6.515 -4.739 1.00 0.00 C ATOM 1049 NE ARG A 64 -11.844 7.628 -5.403 1.00 0.00 N ATOM 1050 CZ ARG A 64 -12.434 8.420 -6.291 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -13.703 8.222 -6.621 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -11.754 9.412 -6.852 1.00 0.00 N ATOM 0 H ARG A 64 -8.804 3.478 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.875 6.236 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.362 4.132 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.389 4.210 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.306 5.503 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.049 6.681 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.762 5.749 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.459 6.862 -4.315 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.867 7.807 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.228 7.460 -6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.154 8.832 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.777 9.567 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.208 10.020 -7.534 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.698 4.589 -3.656 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.552 4.753 -2.770 1.00 0.00 C ATOM 1068 C ILE A 65 -5.414 5.483 -3.475 1.00 0.00 C ATOM 1069 O ILE A 65 -4.973 6.544 -3.030 1.00 0.00 O ATOM 1070 CB ILE A 65 -6.037 3.395 -2.259 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -7.133 2.672 -1.473 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.799 3.588 -1.397 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.617 1.526 -0.631 1.00 0.00 C ATOM 0 H ILE A 65 -7.895 3.623 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.891 5.346 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.766 2.780 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.638 3.389 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.879 2.292 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.447 2.619 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.016 4.065 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.045 4.218 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.448 1.060 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.138 0.789 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.893 1.903 0.091 1.00 0.00 H new ATOM 1085 N LEU A 66 -4.943 4.911 -4.577 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.856 5.508 -5.345 1.00 0.00 C ATOM 1087 C LEU A 66 -4.087 7.003 -5.543 1.00 0.00 C ATOM 1088 O LEU A 66 -3.238 7.835 -5.223 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.725 4.816 -6.703 1.00 0.00 C ATOM 1090 CG LEU A 66 -2.962 5.589 -7.779 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.547 5.895 -7.316 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -2.941 4.806 -9.084 1.00 0.00 C ATOM 0 H LEU A 66 -5.297 4.034 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.931 5.373 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.230 3.857 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.726 4.603 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.476 6.534 -7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.020 6.445 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.583 6.497 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.021 4.962 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.394 5.371 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.451 3.845 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.963 4.640 -9.425 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.264 7.353 -6.082 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.635 8.749 -6.333 1.00 0.00 C ATOM 1106 C PRO A 67 -5.884 9.523 -5.043 1.00 0.00 C ATOM 1107 O PRO A 67 -6.042 10.744 -5.061 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.928 8.632 -7.144 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.500 7.311 -6.758 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.323 6.414 -6.488 1.00 0.00 C ATOM 0 HA PRO A 67 -4.843 9.296 -6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.616 9.445 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.729 8.680 -8.215 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.132 7.402 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.124 6.907 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.541 5.690 -5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.039 5.847 -7.374 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.917 8.806 -3.925 1.00 0.00 N ATOM 1119 CA ASP A 68 -6.145 9.426 -2.625 1.00 0.00 C ATOM 1120 C ASP A 68 -4.826 9.839 -1.981 1.00 0.00 C ATOM 1121 O ASP A 68 -4.734 10.891 -1.349 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.899 8.467 -1.703 1.00 0.00 C ATOM 1123 CG ASP A 68 -7.090 9.032 -0.310 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -6.168 9.713 0.186 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -8.162 8.794 0.286 1.00 0.00 O ATOM 0 H ASP A 68 -5.789 7.795 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.749 10.320 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.873 8.241 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.353 7.526 -1.638 1.00 0.00 H new ATOM 1130 N MET A 69 -3.806 9.002 -2.145 1.00 0.00 N ATOM 1131 CA MET A 69 -2.491 9.281 -1.579 1.00 0.00 C ATOM 1132 C MET A 69 -1.784 10.382 -2.363 1.00 0.00 C ATOM 1133 O MET A 69 -1.188 11.288 -1.780 1.00 0.00 O ATOM 1134 CB MET A 69 -1.636 8.012 -1.574 1.00 0.00 C ATOM 1135 CG MET A 69 -1.522 7.350 -2.938 1.00 0.00 C ATOM 1136 SD MET A 69 -0.531 5.844 -2.898 1.00 0.00 S ATOM 1137 CE MET A 69 -1.554 4.793 -1.870 1.00 0.00 C ATOM 0 H MET A 69 -3.865 8.126 -2.665 1.00 0.00 H new ATOM 0 HA MET A 69 -2.629 9.622 -0.553 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.637 8.258 -1.214 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.062 7.299 -0.868 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.520 7.114 -3.308 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.079 8.053 -3.643 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.963 4.412 -1.037 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.395 5.369 -1.484 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.928 3.958 -2.462 1.00 0.00 H new ATOM 1147 N LEU A 70 -1.852 10.296 -3.687 1.00 0.00 N ATOM 1148 CA LEU A 70 -1.218 11.286 -4.551 1.00 0.00 C ATOM 1149 C LEU A 70 -1.405 12.694 -3.996 1.00 0.00 C ATOM 1150 O LEU A 70 -0.470 13.494 -3.980 1.00 0.00 O ATOM 1151 CB LEU A 70 -1.796 11.202 -5.965 1.00 0.00 C ATOM 1152 CG LEU A 70 -1.039 10.307 -6.948 1.00 0.00 C ATOM 1153 CD1 LEU A 70 0.420 10.727 -7.037 1.00 0.00 C ATOM 1154 CD2 LEU A 70 -1.152 8.847 -6.535 1.00 0.00 C ATOM 0 H LEU A 70 -2.339 9.551 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.150 11.069 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.823 10.844 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.837 12.209 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.489 10.420 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.943 10.079 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.481 11.760 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.883 10.643 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.608 8.225 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.728 8.717 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.201 8.552 -6.524 1.00 0.00 H new ATOM 1166 N GLN A 71 -2.618 12.988 -3.540 1.00 0.00 N ATOM 1167 CA GLN A 71 -2.927 14.299 -2.982 1.00 0.00 C ATOM 1168 C GLN A 71 -1.878 14.715 -1.956 1.00 0.00 C ATOM 1169 O GLN A 71 -0.968 13.949 -1.640 1.00 0.00 O ATOM 1170 CB GLN A 71 -4.313 14.289 -2.336 1.00 0.00 C ATOM 1171 CG GLN A 71 -5.451 14.417 -3.336 1.00 0.00 C ATOM 1172 CD GLN A 71 -5.402 15.718 -4.113 1.00 0.00 C ATOM 1173 OE1 GLN A 71 -4.552 15.902 -4.985 1.00 0.00 O ATOM 1174 NE2 GLN A 71 -6.315 16.630 -3.800 1.00 0.00 N ATOM 0 H GLN A 71 -3.403 12.336 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.919 15.023 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.436 13.363 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.377 15.108 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.413 13.580 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.402 14.349 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.001 16.436 -3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.330 17.525 -4.289 1.00 0.00 H new ATOM 1183 N GLN A 72 -2.012 15.932 -1.439 1.00 0.00 N ATOM 1184 CA GLN A 72 -1.075 16.449 -0.450 1.00 0.00 C ATOM 1185 C GLN A 72 0.334 16.537 -1.028 1.00 0.00 C ATOM 1186 O GLN A 72 1.307 16.156 -0.377 1.00 0.00 O ATOM 1187 CB GLN A 72 -1.073 15.560 0.795 1.00 0.00 C ATOM 1188 CG GLN A 72 -2.311 15.726 1.662 1.00 0.00 C ATOM 1189 CD GLN A 72 -3.576 15.258 0.970 1.00 0.00 C ATOM 1190 OE1 GLN A 72 -4.331 16.061 0.423 1.00 0.00 O ATOM 1191 NE2 GLN A 72 -3.812 13.951 0.989 1.00 0.00 N ATOM 0 H GLN A 72 -2.761 16.578 -1.689 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.397 17.452 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.992 14.518 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.189 15.786 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.179 15.166 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.419 16.775 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.158 13.321 1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.647 13.577 0.538 1.00 0.00 H new ATOM 1200 N ARG A 73 0.435 17.041 -2.253 1.00 0.00 N ATOM 1201 CA ARG A 73 1.725 17.177 -2.920 1.00 0.00 C ATOM 1202 C ARG A 73 1.793 18.481 -3.709 1.00 0.00 C ATOM 1203 O ARG A 73 0.775 18.986 -4.182 1.00 0.00 O ATOM 1204 CB ARG A 73 1.968 15.989 -3.853 1.00 0.00 C ATOM 1205 CG ARG A 73 2.379 14.719 -3.127 1.00 0.00 C ATOM 1206 CD ARG A 73 3.801 14.816 -2.595 1.00 0.00 C ATOM 1207 NE ARG A 73 4.153 13.670 -1.762 1.00 0.00 N ATOM 1208 CZ ARG A 73 5.392 13.404 -1.363 1.00 0.00 C ATOM 1209 NH1 ARG A 73 6.391 14.199 -1.720 1.00 0.00 N ATOM 1210 NH2 ARG A 73 5.633 12.341 -0.606 1.00 0.00 N ATOM 0 H ARG A 73 -0.361 17.362 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 73 2.502 17.194 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.060 15.794 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.744 16.254 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.692 14.532 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.300 13.869 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.497 14.884 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.909 15.733 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 73 3.407 13.039 -1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.209 15.017 -2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.342 13.993 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.867 11.727 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.585 12.138 -0.300 1.00 0.00 H new ATOM 1224 N ARG A 74 3.000 19.020 -3.847 1.00 0.00 N ATOM 1225 CA ARG A 74 3.202 20.265 -4.578 1.00 0.00 C ATOM 1226 C ARG A 74 3.714 19.991 -5.989 1.00 0.00 C ATOM 1227 O ARG A 74 4.468 20.784 -6.551 1.00 0.00 O ATOM 1228 CB ARG A 74 4.188 21.165 -3.832 1.00 0.00 C ATOM 1229 CG ARG A 74 5.634 20.711 -3.948 1.00 0.00 C ATOM 1230 CD ARG A 74 6.593 21.892 -3.920 1.00 0.00 C ATOM 1231 NE ARG A 74 7.029 22.211 -2.563 1.00 0.00 N ATOM 1232 CZ ARG A 74 8.139 22.887 -2.288 1.00 0.00 C ATOM 1233 NH1 ARG A 74 8.921 23.312 -3.271 1.00 0.00 N ATOM 1234 NH2 ARG A 74 8.468 23.139 -1.028 1.00 0.00 N ATOM 0 H ARG A 74 3.853 18.614 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 74 2.241 20.773 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.103 22.181 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.910 21.199 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.869 20.030 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.768 20.154 -4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.463 21.667 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.108 22.764 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 74 6.450 21.898 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.671 23.120 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.773 23.831 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.869 22.814 -0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.320 23.658 -0.818 1.00 0.00 H new ATOM 1248 N ASN A 75 3.298 18.863 -6.555 1.00 0.00 N ATOM 1249 CA ASN A 75 3.716 18.483 -7.900 1.00 0.00 C ATOM 1250 C ASN A 75 3.048 19.369 -8.947 1.00 0.00 C ATOM 1251 O ASN A 75 1.829 19.335 -9.118 1.00 0.00 O ATOM 1252 CB ASN A 75 3.377 17.015 -8.166 1.00 0.00 C ATOM 1253 CG ASN A 75 4.423 16.070 -7.608 1.00 0.00 C ATOM 1254 OD1 ASN A 75 4.200 15.409 -6.593 1.00 0.00 O ATOM 1255 ND2 ASN A 75 5.572 16.001 -8.270 1.00 0.00 N ATOM 0 H ASN A 75 2.672 18.196 -6.104 1.00 0.00 H new ATOM 0 HA ASN A 75 4.795 18.618 -7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.408 16.783 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.283 16.855 -9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.313 15.382 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.713 16.567 -9.107 1.00 0.00 H new ATOM 1262 N ASP A 76 3.854 20.161 -9.645 1.00 0.00 N ATOM 1263 CA ASP A 76 3.342 21.055 -10.677 1.00 0.00 C ATOM 1264 C ASP A 76 3.731 20.560 -12.067 1.00 0.00 C ATOM 1265 O ASP A 76 4.795 19.973 -12.269 1.00 0.00 O ATOM 1266 CB ASP A 76 3.872 22.473 -10.461 1.00 0.00 C ATOM 1267 CG ASP A 76 3.153 23.194 -9.338 1.00 0.00 C ATOM 1268 OD1 ASP A 76 1.996 22.830 -9.044 1.00 0.00 O ATOM 1269 OD2 ASP A 76 3.748 24.124 -8.753 1.00 0.00 O ATOM 0 H ASP A 76 4.865 20.202 -9.515 1.00 0.00 H new ATOM 0 HA ASP A 76 2.254 21.067 -10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.938 22.429 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.763 23.043 -11.384 1.00 0.00 H new ATOM 1274 N PRO A 77 2.849 20.799 -13.049 1.00 0.00 N ATOM 1275 CA PRO A 77 3.078 20.385 -14.437 1.00 0.00 C ATOM 1276 C PRO A 77 4.189 21.188 -15.105 1.00 0.00 C ATOM 1277 O PRO A 77 4.657 22.189 -14.563 1.00 0.00 O ATOM 1278 CB PRO A 77 1.735 20.664 -15.116 1.00 0.00 C ATOM 1279 CG PRO A 77 1.110 21.738 -14.294 1.00 0.00 C ATOM 1280 CD PRO A 77 1.562 21.493 -12.880 1.00 0.00 C ATOM 0 HA PRO A 77 3.398 19.345 -14.505 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.873 20.985 -16.148 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.111 19.771 -15.141 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.422 22.724 -14.638 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.023 21.703 -14.368 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.678 22.426 -12.328 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.846 20.883 -12.329 1.00 0.00 H new ATOM 1288 N SER A 78 4.607 20.742 -16.286 1.00 0.00 N ATOM 1289 CA SER A 78 5.665 21.417 -17.027 1.00 0.00 C ATOM 1290 C SER A 78 5.089 22.218 -18.190 1.00 0.00 C ATOM 1291 O SER A 78 3.977 21.956 -18.648 1.00 0.00 O ATOM 1292 CB SER A 78 6.681 20.399 -17.548 1.00 0.00 C ATOM 1293 OG SER A 78 6.142 19.643 -18.619 1.00 0.00 O ATOM 0 H SER A 78 4.229 19.916 -16.750 1.00 0.00 H new ATOM 0 HA SER A 78 6.167 22.106 -16.348 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.581 20.916 -17.881 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.978 19.730 -16.740 1.00 0.00 H new ATOM 0 HG SER A 78 6.811 19.001 -18.935 1.00 0.00 H new ATOM 1299 N GLY A 79 5.854 23.197 -18.663 1.00 0.00 N ATOM 1300 CA GLY A 79 5.403 24.023 -19.769 1.00 0.00 C ATOM 1301 C GLY A 79 4.856 23.202 -20.920 1.00 0.00 C ATOM 1302 O GLY A 79 5.134 22.009 -21.047 1.00 0.00 O ATOM 0 H GLY A 79 6.778 23.433 -18.301 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.632 24.708 -19.416 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.233 24.634 -20.124 1.00 0.00 H new ATOM 1306 N PRO A 80 4.058 23.846 -21.784 1.00 0.00 N ATOM 1307 CA PRO A 80 3.453 23.186 -22.945 1.00 0.00 C ATOM 1308 C PRO A 80 4.483 22.830 -24.011 1.00 0.00 C ATOM 1309 O PRO A 80 4.137 22.315 -25.075 1.00 0.00 O ATOM 1310 CB PRO A 80 2.473 24.234 -23.478 1.00 0.00 C ATOM 1311 CG PRO A 80 3.027 25.539 -23.019 1.00 0.00 C ATOM 1312 CD PRO A 80 3.684 25.267 -21.694 1.00 0.00 C ATOM 0 HA PRO A 80 2.983 22.240 -22.677 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.403 24.194 -24.565 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.468 24.071 -23.088 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.746 25.932 -23.738 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.238 26.284 -22.918 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.556 25.903 -21.540 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.004 25.452 -20.863 1.00 0.00 H new ATOM 1320 N SER A 81 5.750 23.106 -23.719 1.00 0.00 N ATOM 1321 CA SER A 81 6.830 22.817 -24.655 1.00 0.00 C ATOM 1322 C SER A 81 6.607 21.475 -25.345 1.00 0.00 C ATOM 1323 O SER A 81 6.916 20.420 -24.791 1.00 0.00 O ATOM 1324 CB SER A 81 8.176 22.811 -23.927 1.00 0.00 C ATOM 1325 OG SER A 81 9.243 23.064 -24.824 1.00 0.00 O ATOM 0 H SER A 81 6.054 23.529 -22.842 1.00 0.00 H new ATOM 0 HA SER A 81 6.838 23.599 -25.414 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.171 23.566 -23.141 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.326 21.847 -23.442 1.00 0.00 H new ATOM 0 HG SER A 81 10.091 23.056 -24.334 1.00 0.00 H new ATOM 1331 N SER A 82 6.068 21.524 -26.559 1.00 0.00 N ATOM 1332 CA SER A 82 5.799 20.313 -27.325 1.00 0.00 C ATOM 1333 C SER A 82 5.488 20.649 -28.781 1.00 0.00 C ATOM 1334 O SER A 82 4.867 21.669 -29.075 1.00 0.00 O ATOM 1335 CB SER A 82 4.631 19.542 -26.707 1.00 0.00 C ATOM 1336 OG SER A 82 5.056 18.783 -25.589 1.00 0.00 O ATOM 0 H SER A 82 5.809 22.389 -27.033 1.00 0.00 H new ATOM 0 HA SER A 82 6.692 19.689 -27.297 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.851 20.240 -26.402 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.192 18.881 -27.454 1.00 0.00 H new ATOM 0 HG SER A 82 5.945 19.084 -25.308 1.00 0.00 H new ATOM 1342 N GLY A 83 5.925 19.781 -29.688 1.00 0.00 N ATOM 1343 CA GLY A 83 5.684 20.002 -31.103 1.00 0.00 C ATOM 1344 C GLY A 83 5.604 18.707 -31.886 1.00 0.00 C ATOM 1345 O GLY A 83 5.800 17.625 -31.332 1.00 0.00 O ATOM 0 H GLY A 83 6.441 18.929 -29.469 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.754 20.557 -31.228 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.482 20.622 -31.512 1.00 0.00 H new TER 1349 GLY A 83