USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 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 61 ASN : amide:sc= -3.25! C(o=-8!,f=-8.8!) USER MOD Set 1.2: A 66 HIS : no HE2:sc= -4.74 K(o=-8,f=-8.6!) USER MOD Set 1.3: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 59 GLN : amide:sc= -0.856 X(o=-0.95,f=-0.54) USER MOD Set 2.2: A 63 TYR OH : rot 90:sc= -0.0941 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= -0.0521 USER MOD Set 4.1: A 12 MET CE :methyl 154:sc= -1.72 (180deg=-5.23!) USER MOD Set 4.2: A 18 ASN : amide:sc= -1.5 K(o=-5.7,f=-3.6) USER MOD Set 4.3: A 47 TYR OH : rot -92:sc= -2.5 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.058) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.23) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -1.07 USER MOD Single : A 35 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.051) USER MOD Single : A 41 GLN : amide:sc= -0.691 K(o=-0.69,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.00071) USER MOD Single : A 51 SER OG : rot 170:sc= -0.0235 USER MOD Single : A 52 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.86) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -120:sc= -0.783 (180deg=-1.97!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 50:sc= 0.267 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -24:sc= 1.13 USER MOD Single : A 79 ASN : amide:sc= -0.758 K(o=-0.76,f=-3.7!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 82 SER OG : rot -110:sc= -0.291 USER MOD Single : A 88 ASN : amide:sc= -0.441 K(o=-0.44,f=-2.1) USER MOD Single : A 91 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.611 14.568 -8.406 1.00 0.00 N ATOM 2 CA ALA A 1 -15.763 15.081 -7.293 1.00 0.00 C ATOM 3 C ALA A 1 -14.905 13.940 -6.741 1.00 0.00 C ATOM 4 O ALA A 1 -15.415 12.965 -6.221 1.00 0.00 O ATOM 5 CB ALA A 1 -16.662 15.631 -6.184 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.195 15.342 -8.783 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.003 14.194 -9.162 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.228 13.810 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.114 15.876 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.045 16.007 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.274 16.442 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.309 14.836 -5.813 1.00 0.00 H new ATOM 13 N ARG A 2 -13.604 14.052 -6.858 1.00 0.00 N ATOM 14 CA ARG A 2 -12.707 12.972 -6.348 1.00 0.00 C ATOM 15 C ARG A 2 -11.867 13.497 -5.175 1.00 0.00 C ATOM 16 O ARG A 2 -11.673 14.691 -5.044 1.00 0.00 O ATOM 17 CB ARG A 2 -11.779 12.509 -7.470 1.00 0.00 C ATOM 18 CG ARG A 2 -12.572 11.647 -8.456 1.00 0.00 C ATOM 19 CD ARG A 2 -11.756 11.415 -9.731 1.00 0.00 C ATOM 20 NE ARG A 2 -12.459 12.047 -10.883 1.00 0.00 N ATOM 21 CZ ARG A 2 -13.578 11.539 -11.320 1.00 0.00 C ATOM 22 NH1 ARG A 2 -13.566 10.429 -12.004 1.00 0.00 N ATOM 23 NH2 ARG A 2 -14.708 12.141 -11.072 1.00 0.00 N ATOM 0 H ARG A 2 -13.126 14.845 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.316 12.135 -6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.352 13.370 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.947 11.939 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.821 10.691 -7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.514 12.137 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.758 11.839 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.630 10.347 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.066 12.876 -11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.682 9.958 -12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.441 10.031 -12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.717 13.009 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.583 11.744 -11.414 1.00 0.00 H new ATOM 37 N PRO A 3 -11.394 12.581 -4.359 1.00 0.00 N ATOM 38 CA PRO A 3 -10.572 13.011 -3.202 1.00 0.00 C ATOM 39 C PRO A 3 -9.133 13.306 -3.644 1.00 0.00 C ATOM 40 O PRO A 3 -8.661 12.796 -4.645 1.00 0.00 O ATOM 41 CB PRO A 3 -10.607 11.826 -2.237 1.00 0.00 C ATOM 42 CG PRO A 3 -10.944 10.589 -3.088 1.00 0.00 C ATOM 43 CD PRO A 3 -11.604 11.107 -4.373 1.00 0.00 C ATOM 0 HA PRO A 3 -10.950 13.925 -2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.647 11.704 -1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.355 11.979 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.043 10.020 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.616 9.920 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.153 10.654 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.666 10.862 -4.396 1.00 0.00 H new ATOM 51 N ALA A 4 -8.438 14.127 -2.898 1.00 0.00 N ATOM 52 CA ALA A 4 -7.031 14.468 -3.258 1.00 0.00 C ATOM 53 C ALA A 4 -6.161 13.209 -3.204 1.00 0.00 C ATOM 54 O ALA A 4 -5.152 13.121 -3.875 1.00 0.00 O ATOM 55 CB ALA A 4 -6.490 15.499 -2.268 1.00 0.00 C ATOM 0 H ALA A 4 -8.787 14.577 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.008 14.879 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.462 15.750 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.104 16.399 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.518 15.085 -1.260 1.00 0.00 H new ATOM 61 N PHE A 5 -6.540 12.240 -2.410 1.00 0.00 N ATOM 62 CA PHE A 5 -5.734 10.987 -2.309 1.00 0.00 C ATOM 63 C PHE A 5 -5.733 10.270 -3.664 1.00 0.00 C ATOM 64 O PHE A 5 -4.691 10.006 -4.234 1.00 0.00 O ATOM 65 CB PHE A 5 -6.346 10.074 -1.238 1.00 0.00 C ATOM 66 CG PHE A 5 -5.548 8.793 -1.136 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.343 8.769 -0.424 1.00 0.00 C ATOM 68 CD2 PHE A 5 -6.014 7.632 -1.763 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.606 7.582 -0.338 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.278 6.446 -1.679 1.00 0.00 C ATOM 71 CZ PHE A 5 -4.073 6.421 -0.966 1.00 0.00 C ATOM 0 H PHE A 5 -7.376 12.263 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.709 11.231 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.356 10.584 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.382 9.848 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.982 9.665 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.943 7.652 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.677 7.562 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.638 5.550 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.504 5.506 -0.900 1.00 0.00 H new ATOM 81 N VAL A 6 -6.895 9.952 -4.180 1.00 0.00 N ATOM 82 CA VAL A 6 -6.968 9.246 -5.495 1.00 0.00 C ATOM 83 C VAL A 6 -6.303 10.110 -6.574 1.00 0.00 C ATOM 84 O VAL A 6 -5.759 9.602 -7.537 1.00 0.00 O ATOM 85 CB VAL A 6 -8.436 8.986 -5.858 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.514 8.213 -7.178 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.093 8.154 -4.755 1.00 0.00 C ATOM 0 H VAL A 6 -7.796 10.151 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.445 8.292 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.953 9.940 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.558 8.031 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.045 8.797 -7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.994 7.261 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.136 7.969 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.569 7.203 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.043 8.697 -3.811 1.00 0.00 H new ATOM 97 N ASN A 7 -6.335 11.410 -6.412 1.00 0.00 N ATOM 98 CA ASN A 7 -5.696 12.309 -7.417 1.00 0.00 C ATOM 99 C ASN A 7 -4.179 12.106 -7.385 1.00 0.00 C ATOM 100 O ASN A 7 -3.515 12.150 -8.404 1.00 0.00 O ATOM 101 CB ASN A 7 -6.024 13.764 -7.080 1.00 0.00 C ATOM 102 CG ASN A 7 -7.447 14.085 -7.542 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.256 14.559 -6.769 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.789 13.845 -8.779 1.00 0.00 N ATOM 0 H ASN A 7 -6.777 11.886 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.075 12.074 -8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.932 13.930 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.313 14.431 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.735 14.055 -9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.110 13.447 -9.428 1.00 0.00 H new ATOM 111 N LYS A 8 -3.630 11.879 -6.218 1.00 0.00 N ATOM 112 CA LYS A 8 -2.157 11.663 -6.100 1.00 0.00 C ATOM 113 C LYS A 8 -1.798 10.290 -6.672 1.00 0.00 C ATOM 114 O LYS A 8 -0.699 10.076 -7.148 1.00 0.00 O ATOM 115 CB LYS A 8 -1.747 11.707 -4.625 1.00 0.00 C ATOM 116 CG LYS A 8 -2.128 13.059 -4.018 1.00 0.00 C ATOM 117 CD LYS A 8 -2.376 12.895 -2.514 1.00 0.00 C ATOM 118 CE LYS A 8 -1.932 14.164 -1.786 1.00 0.00 C ATOM 119 NZ LYS A 8 -2.746 14.337 -0.549 1.00 0.00 N ATOM 0 H LYS A 8 -4.143 11.834 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.634 12.445 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.238 10.902 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.673 11.547 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.332 13.783 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.023 13.448 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.433 12.706 -2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.826 12.034 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.874 14.099 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.051 15.030 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.445 15.200 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.751 14.417 -0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.611 13.515 0.073 1.00 0.00 H new ATOM 133 N LEU A 9 -2.714 9.357 -6.613 1.00 0.00 N ATOM 134 CA LEU A 9 -2.435 7.988 -7.137 1.00 0.00 C ATOM 135 C LEU A 9 -2.230 8.033 -8.653 1.00 0.00 C ATOM 136 O LEU A 9 -1.397 7.333 -9.190 1.00 0.00 O ATOM 137 CB LEU A 9 -3.615 7.071 -6.807 1.00 0.00 C ATOM 138 CG LEU A 9 -3.206 5.614 -7.030 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.220 5.179 -5.939 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.452 4.723 -6.986 1.00 0.00 C ATOM 0 H LEU A 9 -3.647 9.486 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.527 7.605 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.926 7.218 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.470 7.320 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.725 5.518 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.932 4.141 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.333 5.812 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.693 5.275 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.162 3.684 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.935 4.820 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.146 5.030 -7.768 1.00 0.00 H new ATOM 152 N TRP A 10 -2.986 8.844 -9.348 1.00 0.00 N ATOM 153 CA TRP A 10 -2.839 8.924 -10.835 1.00 0.00 C ATOM 154 C TRP A 10 -1.461 9.491 -11.215 1.00 0.00 C ATOM 155 O TRP A 10 -1.064 9.429 -12.363 1.00 0.00 O ATOM 156 CB TRP A 10 -3.930 9.827 -11.418 1.00 0.00 C ATOM 157 CG TRP A 10 -5.274 9.402 -10.914 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.204 10.236 -10.398 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.853 8.064 -10.868 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.318 9.500 -10.040 1.00 0.00 N ATOM 161 CE2 TRP A 10 -7.150 8.156 -10.308 1.00 0.00 C ATOM 162 CE3 TRP A 10 -5.387 6.792 -11.251 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.954 7.028 -10.137 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -6.194 5.655 -11.079 1.00 0.00 C ATOM 165 CH2 TRP A 10 -7.474 5.773 -10.523 1.00 0.00 C ATOM 0 H TRP A 10 -3.700 9.455 -8.951 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.934 7.917 -11.242 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.741 10.864 -11.141 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.909 9.779 -12.507 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.095 11.304 -10.284 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.161 9.901 -9.628 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.401 6.689 -11.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.941 7.124 -9.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.825 4.685 -11.377 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -8.090 4.895 -10.393 1.00 0.00 H new ATOM 176 N SER A 11 -0.733 10.054 -10.276 1.00 0.00 N ATOM 177 CA SER A 11 0.605 10.632 -10.612 1.00 0.00 C ATOM 178 C SER A 11 1.732 9.691 -10.164 1.00 0.00 C ATOM 179 O SER A 11 2.833 9.756 -10.677 1.00 0.00 O ATOM 180 CB SER A 11 0.766 11.980 -9.908 1.00 0.00 C ATOM 181 OG SER A 11 2.115 12.416 -10.030 1.00 0.00 O ATOM 0 H SER A 11 -1.008 10.137 -9.297 1.00 0.00 H new ATOM 0 HA SER A 11 0.666 10.762 -11.692 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.093 12.716 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.495 11.889 -8.856 1.00 0.00 H new ATOM 0 HG SER A 11 2.221 13.281 -9.581 1.00 0.00 H new ATOM 187 N MET A 12 1.478 8.830 -9.207 1.00 0.00 N ATOM 188 CA MET A 12 2.556 7.907 -8.730 1.00 0.00 C ATOM 189 C MET A 12 2.566 6.615 -9.552 1.00 0.00 C ATOM 190 O MET A 12 3.599 5.997 -9.727 1.00 0.00 O ATOM 191 CB MET A 12 2.346 7.589 -7.243 1.00 0.00 C ATOM 192 CG MET A 12 1.070 6.756 -7.017 1.00 0.00 C ATOM 193 SD MET A 12 1.503 5.091 -6.432 1.00 0.00 S ATOM 194 CE MET A 12 2.346 5.571 -4.901 1.00 0.00 C ATOM 0 H MET A 12 0.578 8.727 -8.739 1.00 0.00 H new ATOM 0 HA MET A 12 3.520 8.399 -8.858 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.209 7.044 -6.861 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.280 8.518 -6.677 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.429 7.250 -6.287 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.503 6.687 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.286 4.755 -4.181 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.392 5.790 -5.115 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.868 6.458 -4.485 1.00 0.00 H new ATOM 204 N VAL A 13 1.432 6.201 -10.056 1.00 0.00 N ATOM 205 CA VAL A 13 1.390 4.945 -10.866 1.00 0.00 C ATOM 206 C VAL A 13 1.703 5.260 -12.338 1.00 0.00 C ATOM 207 O VAL A 13 1.848 4.362 -13.147 1.00 0.00 O ATOM 208 CB VAL A 13 0.012 4.265 -10.776 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.192 2.771 -11.039 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.615 4.451 -9.382 1.00 0.00 C ATOM 0 H VAL A 13 0.536 6.676 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 13 2.139 4.264 -10.463 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.650 4.719 -11.513 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.775 2.272 -10.979 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.615 2.625 -12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.865 2.349 -10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.587 3.959 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.038 4.011 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.740 5.514 -9.178 1.00 0.00 H new ATOM 220 N ASN A 14 1.821 6.523 -12.696 1.00 0.00 N ATOM 221 CA ASN A 14 2.139 6.881 -14.111 1.00 0.00 C ATOM 222 C ASN A 14 3.490 6.263 -14.505 1.00 0.00 C ATOM 223 O ASN A 14 3.779 6.083 -15.673 1.00 0.00 O ATOM 224 CB ASN A 14 2.207 8.411 -14.243 1.00 0.00 C ATOM 225 CG ASN A 14 1.110 8.901 -15.195 1.00 0.00 C ATOM 226 OD1 ASN A 14 0.403 9.841 -14.894 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.939 8.298 -16.340 1.00 0.00 N ATOM 0 H ASN A 14 1.710 7.317 -12.065 1.00 0.00 H new ATOM 0 HA ASN A 14 1.363 6.495 -14.772 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.085 8.875 -13.264 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.186 8.709 -14.618 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.212 8.617 -16.981 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.532 7.508 -16.594 1.00 0.00 H new ATOM 234 N ASP A 15 4.314 5.934 -13.537 1.00 0.00 N ATOM 235 CA ASP A 15 5.642 5.324 -13.841 1.00 0.00 C ATOM 236 C ASP A 15 6.497 6.312 -14.635 1.00 0.00 C ATOM 237 O ASP A 15 7.305 5.919 -15.453 1.00 0.00 O ATOM 238 CB ASP A 15 5.459 4.038 -14.658 1.00 0.00 C ATOM 239 CG ASP A 15 4.425 3.135 -13.980 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.500 2.987 -12.771 1.00 0.00 O ATOM 241 OD2 ASP A 15 3.578 2.607 -14.681 1.00 0.00 O ATOM 0 H ASP A 15 4.119 6.064 -12.544 1.00 0.00 H new ATOM 0 HA ASP A 15 6.140 5.084 -12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.134 4.282 -15.670 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.411 3.514 -14.746 1.00 0.00 H new ATOM 246 N LYS A 16 6.328 7.589 -14.400 1.00 0.00 N ATOM 247 CA LYS A 16 7.141 8.601 -15.136 1.00 0.00 C ATOM 248 C LYS A 16 8.410 8.915 -14.337 1.00 0.00 C ATOM 249 O LYS A 16 9.513 8.670 -14.788 1.00 0.00 O ATOM 250 CB LYS A 16 6.321 9.881 -15.335 1.00 0.00 C ATOM 251 CG LYS A 16 6.523 10.405 -16.761 1.00 0.00 C ATOM 252 CD LYS A 16 6.153 11.889 -16.819 1.00 0.00 C ATOM 253 CE LYS A 16 5.720 12.252 -18.240 1.00 0.00 C ATOM 254 NZ LYS A 16 6.125 13.655 -18.540 1.00 0.00 N ATOM 0 H LYS A 16 5.662 7.973 -13.730 1.00 0.00 H new ATOM 0 HA LYS A 16 7.418 8.202 -16.112 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.265 9.679 -15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.627 10.637 -14.612 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.560 10.266 -17.067 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.906 9.838 -17.458 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.347 12.101 -16.117 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.005 12.499 -16.520 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.177 11.569 -18.956 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.640 12.144 -18.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.831 13.902 -19.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.669 14.300 -17.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.158 13.743 -18.460 1.00 0.00 H new ATOM 268 N SER A 17 8.258 9.456 -13.152 1.00 0.00 N ATOM 269 CA SER A 17 9.450 9.790 -12.317 1.00 0.00 C ATOM 270 C SER A 17 9.922 8.539 -11.575 1.00 0.00 C ATOM 271 O SER A 17 11.104 8.319 -11.398 1.00 0.00 O ATOM 272 CB SER A 17 9.077 10.874 -11.303 1.00 0.00 C ATOM 273 OG SER A 17 10.207 11.702 -11.068 1.00 0.00 O ATOM 0 H SER A 17 7.358 9.680 -12.728 1.00 0.00 H new ATOM 0 HA SER A 17 10.251 10.154 -12.960 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.246 11.471 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.745 10.418 -10.370 1.00 0.00 H new ATOM 0 HG SER A 17 9.973 12.399 -10.420 1.00 0.00 H new ATOM 279 N ASN A 18 9.000 7.712 -11.151 1.00 0.00 N ATOM 280 CA ASN A 18 9.385 6.457 -10.426 1.00 0.00 C ATOM 281 C ASN A 18 9.314 5.278 -11.403 1.00 0.00 C ATOM 282 O ASN A 18 8.809 4.218 -11.082 1.00 0.00 O ATOM 283 CB ASN A 18 8.454 6.200 -9.216 1.00 0.00 C ATOM 284 CG ASN A 18 7.018 6.671 -9.498 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.422 6.280 -10.483 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.435 7.501 -8.669 1.00 0.00 N ATOM 0 H ASN A 18 7.997 7.849 -11.274 1.00 0.00 H new ATOM 0 HA ASN A 18 10.400 6.567 -10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.449 5.136 -8.979 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.843 6.719 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.483 7.818 -8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.933 7.830 -7.842 1.00 0.00 H new ATOM 293 N GLU A 19 9.822 5.469 -12.597 1.00 0.00 N ATOM 294 CA GLU A 19 9.801 4.387 -13.629 1.00 0.00 C ATOM 295 C GLU A 19 10.769 3.265 -13.241 1.00 0.00 C ATOM 296 O GLU A 19 11.903 3.244 -13.676 1.00 0.00 O ATOM 297 CB GLU A 19 10.234 4.976 -14.979 1.00 0.00 C ATOM 298 CG GLU A 19 11.581 5.704 -14.826 1.00 0.00 C ATOM 299 CD GLU A 19 12.630 5.058 -15.736 1.00 0.00 C ATOM 300 OE1 GLU A 19 12.472 5.139 -16.941 1.00 0.00 O ATOM 301 OE2 GLU A 19 13.575 4.492 -15.208 1.00 0.00 O ATOM 0 H GLU A 19 10.255 6.340 -12.903 1.00 0.00 H new ATOM 0 HA GLU A 19 8.792 3.980 -13.699 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.322 4.182 -15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.476 5.669 -15.343 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.466 6.758 -15.081 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.911 5.661 -13.788 1.00 0.00 H new ATOM 308 N LYS A 20 10.319 2.323 -12.439 1.00 0.00 N ATOM 309 CA LYS A 20 11.188 1.169 -12.009 1.00 0.00 C ATOM 310 C LYS A 20 10.583 0.517 -10.761 1.00 0.00 C ATOM 311 O LYS A 20 10.808 -0.651 -10.498 1.00 0.00 O ATOM 312 CB LYS A 20 12.619 1.640 -11.667 1.00 0.00 C ATOM 313 CG LYS A 20 13.581 1.271 -12.808 1.00 0.00 C ATOM 314 CD LYS A 20 14.660 0.314 -12.294 1.00 0.00 C ATOM 315 CE LYS A 20 15.825 1.122 -11.720 1.00 0.00 C ATOM 316 NZ LYS A 20 17.011 0.236 -11.549 1.00 0.00 N ATOM 0 H LYS A 20 9.373 2.303 -12.058 1.00 0.00 H new ATOM 0 HA LYS A 20 11.238 0.459 -12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.627 2.718 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.950 1.178 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.029 0.805 -13.624 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.044 2.172 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.245 -0.341 -11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.011 -0.325 -13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.070 1.950 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.542 1.557 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.802 0.787 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.774 -0.539 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.285 -0.158 -12.471 1.00 0.00 H new ATOM 330 N PHE A 21 9.842 1.264 -9.978 1.00 0.00 N ATOM 331 CA PHE A 21 9.252 0.687 -8.732 1.00 0.00 C ATOM 332 C PHE A 21 7.805 0.245 -8.966 1.00 0.00 C ATOM 333 O PHE A 21 7.500 -0.934 -8.948 1.00 0.00 O ATOM 334 CB PHE A 21 9.285 1.739 -7.619 1.00 0.00 C ATOM 335 CG PHE A 21 10.690 2.270 -7.464 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.706 1.433 -6.988 1.00 0.00 C ATOM 337 CD2 PHE A 21 10.977 3.600 -7.798 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.008 1.924 -6.846 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.281 4.090 -7.655 1.00 0.00 C ATOM 340 CZ PHE A 21 13.297 3.253 -7.180 1.00 0.00 C ATOM 0 H PHE A 21 9.622 2.245 -10.148 1.00 0.00 H new ATOM 0 HA PHE A 21 9.840 -0.184 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.601 2.554 -7.855 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.946 1.301 -6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.485 0.408 -6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.194 4.246 -8.165 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.791 1.278 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.503 5.115 -7.912 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.303 3.631 -7.071 1.00 0.00 H new ATOM 350 N ILE A 22 6.909 1.179 -9.154 1.00 0.00 N ATOM 351 CA ILE A 22 5.474 0.821 -9.352 1.00 0.00 C ATOM 352 C ILE A 22 5.163 0.635 -10.844 1.00 0.00 C ATOM 353 O ILE A 22 5.873 1.115 -11.705 1.00 0.00 O ATOM 354 CB ILE A 22 4.604 1.942 -8.763 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.121 1.576 -8.903 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.886 3.266 -9.493 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.297 2.389 -7.903 1.00 0.00 C ATOM 0 H ILE A 22 7.111 2.178 -9.179 1.00 0.00 H new ATOM 0 HA ILE A 22 5.260 -0.121 -8.846 1.00 0.00 H new ATOM 0 HB ILE A 22 4.846 2.061 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.781 1.777 -9.919 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.980 0.510 -8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.265 4.055 -9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.937 3.529 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.656 3.153 -10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.243 2.129 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.631 2.166 -6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.428 3.452 -8.103 1.00 0.00 H new ATOM 369 N HIS A 23 4.090 -0.056 -11.141 1.00 0.00 N ATOM 370 CA HIS A 23 3.697 -0.280 -12.562 1.00 0.00 C ATOM 371 C HIS A 23 2.278 -0.851 -12.609 1.00 0.00 C ATOM 372 O HIS A 23 1.764 -1.339 -11.618 1.00 0.00 O ATOM 373 CB HIS A 23 4.667 -1.262 -13.223 1.00 0.00 C ATOM 374 CG HIS A 23 4.526 -1.164 -14.719 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.187 -2.253 -15.505 1.00 0.00 N ATOM 376 CD2 HIS A 23 4.668 -0.107 -15.584 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.135 -1.831 -16.782 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.421 -0.531 -16.885 1.00 0.00 N ATOM 0 H HIS A 23 3.466 -0.477 -10.452 1.00 0.00 H new ATOM 0 HA HIS A 23 3.730 0.668 -13.099 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.691 -1.036 -12.926 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.456 -2.279 -12.891 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.931 0.900 -15.297 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.892 -2.466 -17.621 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.452 0.031 -17.736 1.00 0.00 H new ATOM 386 N TRP A 24 1.644 -0.791 -13.753 1.00 0.00 N ATOM 387 CA TRP A 24 0.256 -1.327 -13.876 1.00 0.00 C ATOM 388 C TRP A 24 0.312 -2.822 -14.200 1.00 0.00 C ATOM 389 O TRP A 24 1.368 -3.370 -14.455 1.00 0.00 O ATOM 390 CB TRP A 24 -0.475 -0.585 -14.999 1.00 0.00 C ATOM 391 CG TRP A 24 -0.917 0.759 -14.511 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.117 1.845 -14.399 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.242 1.180 -14.075 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.867 2.904 -13.921 1.00 0.00 N ATOM 395 CE2 TRP A 24 -2.183 2.545 -13.706 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.478 0.517 -13.965 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -3.309 3.227 -13.245 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.614 1.201 -13.501 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.529 2.554 -13.141 1.00 0.00 C ATOM 0 H TRP A 24 2.030 -0.393 -14.609 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.277 -1.182 -12.936 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.182 -0.471 -15.861 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.337 -1.164 -15.330 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.935 1.879 -14.643 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.493 3.837 -13.748 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.554 -0.525 -14.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.238 4.269 -12.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.558 0.682 -13.421 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.405 3.075 -12.784 1.00 0.00 H new ATOM 410 N SER A 25 -0.817 -3.484 -14.186 1.00 0.00 N ATOM 411 CA SER A 25 -0.839 -4.947 -14.488 1.00 0.00 C ATOM 412 C SER A 25 -1.024 -5.163 -15.994 1.00 0.00 C ATOM 413 O SER A 25 -0.276 -5.889 -16.619 1.00 0.00 O ATOM 414 CB SER A 25 -1.994 -5.601 -13.731 1.00 0.00 C ATOM 415 OG SER A 25 -1.964 -7.006 -13.948 1.00 0.00 O ATOM 0 H SER A 25 -1.727 -3.073 -13.978 1.00 0.00 H new ATOM 0 HA SER A 25 0.104 -5.396 -14.176 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.914 -5.384 -12.666 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.945 -5.190 -14.070 1.00 0.00 H new ATOM 0 HG SER A 25 -2.703 -7.428 -13.462 1.00 0.00 H new ATOM 421 N THR A 26 -2.016 -4.536 -16.574 1.00 0.00 N ATOM 422 CA THR A 26 -2.258 -4.697 -18.039 1.00 0.00 C ATOM 423 C THR A 26 -2.832 -3.393 -18.605 1.00 0.00 C ATOM 424 O THR A 26 -3.798 -3.395 -19.346 1.00 0.00 O ATOM 425 CB THR A 26 -3.250 -5.843 -18.272 1.00 0.00 C ATOM 426 OG1 THR A 26 -2.771 -7.017 -17.633 1.00 0.00 O ATOM 427 CG2 THR A 26 -3.400 -6.104 -19.775 1.00 0.00 C ATOM 0 H THR A 26 -2.670 -3.918 -16.094 1.00 0.00 H new ATOM 0 HA THR A 26 -1.319 -4.928 -18.542 1.00 0.00 H new ATOM 0 HB THR A 26 -4.220 -5.570 -17.858 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.404 -7.751 -17.779 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.106 -6.919 -19.934 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.769 -5.203 -20.266 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.432 -6.375 -20.196 1.00 0.00 H new ATOM 435 N SER A 27 -2.238 -2.276 -18.259 1.00 0.00 N ATOM 436 CA SER A 27 -2.735 -0.960 -18.767 1.00 0.00 C ATOM 437 C SER A 27 -4.176 -0.736 -18.293 1.00 0.00 C ATOM 438 O SER A 27 -5.108 -0.747 -19.077 1.00 0.00 O ATOM 439 CB SER A 27 -2.682 -0.942 -20.297 1.00 0.00 C ATOM 440 OG SER A 27 -2.925 0.380 -20.761 1.00 0.00 O ATOM 0 H SER A 27 -1.426 -2.220 -17.644 1.00 0.00 H new ATOM 0 HA SER A 27 -2.102 -0.162 -18.380 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.708 -1.287 -20.642 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.426 -1.626 -20.706 1.00 0.00 H new ATOM 0 HG SER A 27 -2.890 0.395 -21.740 1.00 0.00 H new ATOM 446 N GLY A 28 -4.364 -0.534 -17.013 1.00 0.00 N ATOM 447 CA GLY A 28 -5.739 -0.308 -16.476 1.00 0.00 C ATOM 448 C GLY A 28 -6.331 -1.639 -16.007 1.00 0.00 C ATOM 449 O GLY A 28 -7.041 -2.303 -16.739 1.00 0.00 O ATOM 0 H GLY A 28 -3.621 -0.516 -16.315 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.705 0.399 -15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.373 0.133 -17.245 1.00 0.00 H new ATOM 453 N GLU A 29 -6.041 -2.032 -14.793 1.00 0.00 N ATOM 454 CA GLU A 29 -6.584 -3.321 -14.268 1.00 0.00 C ATOM 455 C GLU A 29 -6.223 -3.463 -12.787 1.00 0.00 C ATOM 456 O GLU A 29 -7.082 -3.672 -11.950 1.00 0.00 O ATOM 457 CB GLU A 29 -5.982 -4.489 -15.063 1.00 0.00 C ATOM 458 CG GLU A 29 -7.060 -5.132 -15.939 1.00 0.00 C ATOM 459 CD GLU A 29 -7.755 -6.245 -15.153 1.00 0.00 C ATOM 460 OE1 GLU A 29 -7.056 -7.060 -14.575 1.00 0.00 O ATOM 461 OE2 GLU A 29 -8.975 -6.263 -15.143 1.00 0.00 O ATOM 0 H GLU A 29 -5.451 -1.515 -14.142 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.669 -3.331 -14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.161 -4.132 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.566 -5.230 -14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.787 -4.382 -16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.613 -5.537 -16.847 1.00 0.00 H new ATOM 468 N SER A 30 -4.961 -3.353 -12.460 1.00 0.00 N ATOM 469 CA SER A 30 -4.539 -3.483 -11.035 1.00 0.00 C ATOM 470 C SER A 30 -3.105 -2.969 -10.877 1.00 0.00 C ATOM 471 O SER A 30 -2.333 -2.961 -11.818 1.00 0.00 O ATOM 472 CB SER A 30 -4.615 -4.955 -10.614 1.00 0.00 C ATOM 473 OG SER A 30 -3.490 -5.657 -11.127 1.00 0.00 O ATOM 0 H SER A 30 -4.204 -3.178 -13.121 1.00 0.00 H new ATOM 0 HA SER A 30 -5.202 -2.893 -10.402 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.639 -5.032 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.536 -5.403 -10.986 1.00 0.00 H new ATOM 0 HG SER A 30 -3.539 -6.597 -10.855 1.00 0.00 H new ATOM 479 N ILE A 31 -2.747 -2.537 -9.694 1.00 0.00 N ATOM 480 CA ILE A 31 -1.365 -2.020 -9.465 1.00 0.00 C ATOM 481 C ILE A 31 -0.468 -3.183 -9.030 1.00 0.00 C ATOM 482 O ILE A 31 -0.948 -4.209 -8.585 1.00 0.00 O ATOM 483 CB ILE A 31 -1.386 -0.943 -8.373 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.461 0.107 -8.694 1.00 0.00 C ATOM 485 CG2 ILE A 31 -0.020 -0.260 -8.309 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.836 0.876 -7.422 1.00 0.00 C ATOM 0 H ILE A 31 -3.355 -2.520 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.979 -1.580 -10.384 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.613 -1.410 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.092 0.798 -9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.344 -0.379 -9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.032 0.506 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.746 -1.000 -8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.202 0.201 -9.271 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.598 1.619 -7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.224 0.181 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.952 1.376 -7.025 1.00 0.00 H new ATOM 498 N VAL A 32 0.829 -3.037 -9.166 1.00 0.00 N ATOM 499 CA VAL A 32 1.752 -4.146 -8.769 1.00 0.00 C ATOM 500 C VAL A 32 2.989 -3.580 -8.063 1.00 0.00 C ATOM 501 O VAL A 32 3.573 -2.606 -8.497 1.00 0.00 O ATOM 502 CB VAL A 32 2.182 -4.911 -10.025 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.016 -6.131 -9.626 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.939 -5.375 -10.787 1.00 0.00 C ATOM 0 H VAL A 32 1.286 -2.202 -9.533 1.00 0.00 H new ATOM 0 HA VAL A 32 1.235 -4.817 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 32 2.779 -4.256 -10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.320 -6.673 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.902 -5.804 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.421 -6.786 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.243 -5.920 -11.681 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.344 -6.028 -10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.344 -4.508 -11.075 1.00 0.00 H new ATOM 514 N VAL A 33 3.394 -4.199 -6.978 1.00 0.00 N ATOM 515 CA VAL A 33 4.600 -3.720 -6.238 1.00 0.00 C ATOM 516 C VAL A 33 5.593 -4.881 -6.094 1.00 0.00 C ATOM 517 O VAL A 33 5.530 -5.623 -5.133 1.00 0.00 O ATOM 518 CB VAL A 33 4.190 -3.227 -4.844 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.422 -2.701 -4.093 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.166 -2.099 -4.988 1.00 0.00 C ATOM 0 H VAL A 33 2.938 -5.017 -6.574 1.00 0.00 H new ATOM 0 HA VAL A 33 5.063 -2.901 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 33 3.754 -4.054 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.124 -2.353 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.155 -3.502 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.863 -1.875 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.872 -1.746 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.607 -1.276 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.288 -2.470 -5.517 1.00 0.00 H new ATOM 530 N PRO A 34 6.482 -4.997 -7.056 1.00 0.00 N ATOM 531 CA PRO A 34 7.469 -6.097 -6.967 1.00 0.00 C ATOM 532 C PRO A 34 8.484 -5.800 -5.860 1.00 0.00 C ATOM 533 O PRO A 34 9.009 -6.697 -5.229 1.00 0.00 O ATOM 534 CB PRO A 34 8.154 -6.119 -8.332 1.00 0.00 C ATOM 535 CG PRO A 34 7.960 -4.717 -8.934 1.00 0.00 C ATOM 536 CD PRO A 34 6.774 -4.081 -8.192 1.00 0.00 C ATOM 0 HA PRO A 34 7.007 -7.055 -6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.213 -6.356 -8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.716 -6.882 -8.975 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.861 -4.115 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.760 -4.779 -10.004 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.023 -3.081 -7.837 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.909 -3.980 -8.847 1.00 0.00 H new ATOM 544 N ASN A 35 8.763 -4.541 -5.628 1.00 0.00 N ATOM 545 CA ASN A 35 9.744 -4.169 -4.568 1.00 0.00 C ATOM 546 C ASN A 35 9.153 -3.072 -3.680 1.00 0.00 C ATOM 547 O ASN A 35 9.365 -1.896 -3.913 1.00 0.00 O ATOM 548 CB ASN A 35 11.028 -3.653 -5.224 1.00 0.00 C ATOM 549 CG ASN A 35 11.999 -4.816 -5.429 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.452 -5.058 -6.531 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.339 -5.551 -4.406 1.00 0.00 N ATOM 0 H ASN A 35 8.351 -3.754 -6.130 1.00 0.00 H new ATOM 0 HA ASN A 35 9.968 -5.045 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.797 -3.185 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.487 -2.888 -4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.986 -6.330 -4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.958 -5.347 -3.482 1.00 0.00 H new ATOM 558 N ARG A 36 8.419 -3.447 -2.664 1.00 0.00 N ATOM 559 CA ARG A 36 7.816 -2.426 -1.752 1.00 0.00 C ATOM 560 C ARG A 36 8.830 -2.031 -0.672 1.00 0.00 C ATOM 561 O ARG A 36 8.756 -0.957 -0.107 1.00 0.00 O ATOM 562 CB ARG A 36 6.565 -3.002 -1.088 1.00 0.00 C ATOM 563 CG ARG A 36 5.684 -1.854 -0.587 1.00 0.00 C ATOM 564 CD ARG A 36 4.432 -2.414 0.097 1.00 0.00 C ATOM 565 NE ARG A 36 4.480 -2.095 1.551 1.00 0.00 N ATOM 566 CZ ARG A 36 5.010 -2.946 2.386 1.00 0.00 C ATOM 567 NH1 ARG A 36 6.308 -3.057 2.468 1.00 0.00 N ATOM 568 NH2 ARG A 36 4.244 -3.688 3.137 1.00 0.00 N ATOM 0 H ARG A 36 8.210 -4.417 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 36 7.545 -1.545 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.012 -3.616 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.846 -3.650 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.244 -1.234 0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.397 -1.214 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.536 -1.985 -0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.376 -3.493 -0.049 1.00 0.00 H new ATOM 0 HE ARG A 36 4.099 -1.213 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.908 -2.479 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.723 -3.722 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.230 -3.603 3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.659 -4.353 3.789 1.00 0.00 H new ATOM 582 N GLU A 37 9.772 -2.893 -0.379 1.00 0.00 N ATOM 583 CA GLU A 37 10.791 -2.571 0.668 1.00 0.00 C ATOM 584 C GLU A 37 11.665 -1.401 0.200 1.00 0.00 C ATOM 585 O GLU A 37 12.179 -0.643 1.000 1.00 0.00 O ATOM 586 CB GLU A 37 11.670 -3.801 0.919 1.00 0.00 C ATOM 587 CG GLU A 37 12.576 -3.553 2.132 1.00 0.00 C ATOM 588 CD GLU A 37 12.631 -4.811 3.002 1.00 0.00 C ATOM 589 OE1 GLU A 37 11.575 -5.336 3.318 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.727 -5.230 3.335 1.00 0.00 O ATOM 0 H GLU A 37 9.880 -3.806 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 37 10.284 -2.291 1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.045 -4.677 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.276 -4.012 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.579 -3.285 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.198 -2.713 2.714 1.00 0.00 H new ATOM 597 N ARG A 38 11.836 -1.255 -1.089 1.00 0.00 N ATOM 598 CA ARG A 38 12.675 -0.139 -1.623 1.00 0.00 C ATOM 599 C ARG A 38 11.765 1.010 -2.077 1.00 0.00 C ATOM 600 O ARG A 38 12.071 2.170 -1.882 1.00 0.00 O ATOM 601 CB ARG A 38 13.495 -0.654 -2.814 1.00 0.00 C ATOM 602 CG ARG A 38 14.355 0.476 -3.393 1.00 0.00 C ATOM 603 CD ARG A 38 15.285 -0.088 -4.467 1.00 0.00 C ATOM 604 NE ARG A 38 16.605 -0.409 -3.858 1.00 0.00 N ATOM 605 CZ ARG A 38 17.092 -1.614 -3.958 1.00 0.00 C ATOM 606 NH1 ARG A 38 17.185 -2.185 -5.128 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.482 -2.248 -2.887 1.00 0.00 N ATOM 0 H ARG A 38 11.428 -1.864 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 38 13.349 0.223 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.132 -1.480 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.828 -1.044 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.717 1.250 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.939 0.945 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.848 -0.984 -4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.410 0.636 -5.272 1.00 0.00 H new ATOM 0 HE ARG A 38 17.128 0.313 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.877 -1.688 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.566 -3.128 -5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.406 -1.801 -1.973 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.863 -3.191 -2.963 1.00 0.00 H new ATOM 621 N PHE A 39 10.650 0.689 -2.685 1.00 0.00 N ATOM 622 CA PHE A 39 9.704 1.747 -3.165 1.00 0.00 C ATOM 623 C PHE A 39 9.324 2.675 -1.996 1.00 0.00 C ATOM 624 O PHE A 39 9.412 3.883 -2.102 1.00 0.00 O ATOM 625 CB PHE A 39 8.449 1.056 -3.748 1.00 0.00 C ATOM 626 CG PHE A 39 7.261 2.000 -3.774 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.454 2.124 -2.638 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.978 2.751 -4.920 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.363 2.998 -2.646 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.888 3.626 -4.929 1.00 0.00 C ATOM 631 CZ PHE A 39 5.080 3.749 -3.791 1.00 0.00 C ATOM 0 H PHE A 39 10.351 -0.268 -2.871 1.00 0.00 H new ATOM 0 HA PHE A 39 10.174 2.353 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.660 0.706 -4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.205 0.177 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.674 1.544 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.601 2.655 -5.797 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.740 3.093 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.669 4.207 -5.813 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.238 4.425 -3.798 1.00 0.00 H new ATOM 641 N VAL A 40 8.883 2.115 -0.899 1.00 0.00 N ATOM 642 CA VAL A 40 8.473 2.952 0.273 1.00 0.00 C ATOM 643 C VAL A 40 9.625 3.878 0.679 1.00 0.00 C ATOM 644 O VAL A 40 9.499 5.083 0.660 1.00 0.00 O ATOM 645 CB VAL A 40 8.116 2.039 1.460 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.687 2.888 2.670 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.967 1.100 1.067 1.00 0.00 C ATOM 0 H VAL A 40 8.788 1.109 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 40 7.605 3.551 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 40 8.994 1.451 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.437 2.232 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.505 3.548 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.815 3.486 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.719 0.456 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.093 1.690 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.272 0.486 0.220 1.00 0.00 H new ATOM 657 N GLN A 41 10.732 3.310 1.062 1.00 0.00 N ATOM 658 CA GLN A 41 11.898 4.132 1.506 1.00 0.00 C ATOM 659 C GLN A 41 12.437 5.034 0.381 1.00 0.00 C ATOM 660 O GLN A 41 13.268 5.889 0.631 1.00 0.00 O ATOM 661 CB GLN A 41 13.007 3.203 2.004 1.00 0.00 C ATOM 662 CG GLN A 41 13.428 2.283 0.873 1.00 0.00 C ATOM 663 CD GLN A 41 14.492 1.303 1.372 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.557 1.005 2.548 1.00 0.00 O ATOM 665 NE2 GLN A 41 15.334 0.787 0.521 1.00 0.00 N ATOM 0 H GLN A 41 10.884 2.302 1.088 1.00 0.00 H new ATOM 0 HA GLN A 41 11.561 4.786 2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.859 3.787 2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.654 2.618 2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.564 1.735 0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.821 2.869 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.279 1.037 -0.466 1.00 0.00 H new ATOM 0 HE22 GLN A 41 16.048 0.133 0.842 1.00 0.00 H new ATOM 674 N GLU A 42 12.004 4.855 -0.848 1.00 0.00 N ATOM 675 CA GLU A 42 12.538 5.715 -1.955 1.00 0.00 C ATOM 676 C GLU A 42 11.419 6.468 -2.692 1.00 0.00 C ATOM 677 O GLU A 42 11.675 7.096 -3.704 1.00 0.00 O ATOM 678 CB GLU A 42 13.283 4.832 -2.962 1.00 0.00 C ATOM 679 CG GLU A 42 14.618 4.386 -2.364 1.00 0.00 C ATOM 680 CD GLU A 42 15.677 5.457 -2.630 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.566 6.529 -2.056 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.582 5.189 -3.403 1.00 0.00 O ATOM 0 H GLU A 42 11.313 4.160 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 42 13.206 6.452 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.678 3.962 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.453 5.382 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.512 4.222 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.927 3.437 -2.803 1.00 0.00 H new ATOM 689 N VAL A 43 10.191 6.424 -2.219 1.00 0.00 N ATOM 690 CA VAL A 43 9.097 7.156 -2.946 1.00 0.00 C ATOM 691 C VAL A 43 7.982 7.604 -1.986 1.00 0.00 C ATOM 692 O VAL A 43 7.424 8.675 -2.143 1.00 0.00 O ATOM 693 CB VAL A 43 8.501 6.242 -4.034 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.485 7.028 -4.867 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.617 5.743 -4.957 1.00 0.00 C ATOM 0 H VAL A 43 9.902 5.924 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 43 9.531 8.047 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 43 8.011 5.394 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.065 6.379 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.685 7.389 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.980 7.876 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.192 5.097 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.107 6.595 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.347 5.182 -4.374 1.00 0.00 H new ATOM 705 N LEU A 44 7.631 6.794 -1.019 1.00 0.00 N ATOM 706 CA LEU A 44 6.527 7.173 -0.076 1.00 0.00 C ATOM 707 C LEU A 44 6.811 8.534 0.615 1.00 0.00 C ATOM 708 O LEU A 44 5.945 9.391 0.636 1.00 0.00 O ATOM 709 CB LEU A 44 6.369 6.074 0.988 1.00 0.00 C ATOM 710 CG LEU A 44 5.234 6.431 1.958 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.905 6.499 1.200 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.145 5.362 3.048 1.00 0.00 C ATOM 0 H LEU A 44 8.059 5.886 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 44 5.606 7.275 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.158 5.119 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.302 5.954 1.538 1.00 0.00 H new ATOM 0 HG LEU A 44 5.438 7.401 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.103 6.753 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.968 7.261 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.697 5.532 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.340 5.613 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.943 4.393 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.089 5.317 3.592 1.00 0.00 H new ATOM 724 N PRO A 45 7.999 8.685 1.182 1.00 0.00 N ATOM 725 CA PRO A 45 8.296 9.971 1.881 1.00 0.00 C ATOM 726 C PRO A 45 8.399 11.134 0.894 1.00 0.00 C ATOM 727 O PRO A 45 8.076 12.261 1.222 1.00 0.00 O ATOM 728 CB PRO A 45 9.635 9.742 2.580 1.00 0.00 C ATOM 729 CG PRO A 45 10.315 8.594 1.824 1.00 0.00 C ATOM 730 CD PRO A 45 9.190 7.798 1.147 1.00 0.00 C ATOM 0 HA PRO A 45 7.503 10.237 2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.248 10.643 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.489 9.486 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.019 8.978 1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.883 7.961 2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.455 7.538 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.999 6.863 1.674 1.00 0.00 H new ATOM 738 N LYS A 46 8.820 10.876 -0.320 1.00 0.00 N ATOM 739 CA LYS A 46 8.908 11.975 -1.326 1.00 0.00 C ATOM 740 C LYS A 46 7.494 12.525 -1.581 1.00 0.00 C ATOM 741 O LYS A 46 7.322 13.608 -2.108 1.00 0.00 O ATOM 742 CB LYS A 46 9.493 11.414 -2.633 1.00 0.00 C ATOM 743 CG LYS A 46 10.685 12.261 -3.081 1.00 0.00 C ATOM 744 CD LYS A 46 11.256 11.692 -4.383 1.00 0.00 C ATOM 745 CE LYS A 46 12.232 12.699 -4.994 1.00 0.00 C ATOM 746 NZ LYS A 46 13.618 12.378 -4.552 1.00 0.00 N ATOM 0 H LYS A 46 9.105 9.956 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 46 9.551 12.775 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.806 10.380 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.728 11.408 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.374 13.295 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.452 12.266 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.765 10.748 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.449 11.480 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.169 12.668 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.966 13.711 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.282 13.062 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.672 12.429 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.869 11.419 -4.865 1.00 0.00 H new ATOM 760 N TYR A 47 6.485 11.767 -1.223 1.00 0.00 N ATOM 761 CA TYR A 47 5.084 12.195 -1.449 1.00 0.00 C ATOM 762 C TYR A 47 4.558 12.958 -0.227 1.00 0.00 C ATOM 763 O TYR A 47 4.272 14.139 -0.291 1.00 0.00 O ATOM 764 CB TYR A 47 4.218 10.944 -1.626 1.00 0.00 C ATOM 765 CG TYR A 47 4.505 10.197 -2.921 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.728 10.319 -3.622 1.00 0.00 C ATOM 767 CD2 TYR A 47 3.517 9.344 -3.410 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.930 9.589 -4.802 1.00 0.00 C ATOM 769 CE2 TYR A 47 3.728 8.619 -4.578 1.00 0.00 C ATOM 770 CZ TYR A 47 4.931 8.742 -5.278 1.00 0.00 C ATOM 771 OH TYR A 47 5.136 8.019 -6.434 1.00 0.00 O ATOM 0 H TYR A 47 6.584 10.855 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 47 5.045 12.837 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.382 10.273 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.167 11.231 -1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.503 10.972 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.582 9.245 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.860 9.683 -5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.958 7.957 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 47 4.802 8.528 -7.202 1.00 0.00 H new ATOM 781 N PHE A 48 4.395 12.270 0.878 1.00 0.00 N ATOM 782 CA PHE A 48 3.846 12.918 2.107 1.00 0.00 C ATOM 783 C PHE A 48 4.973 13.344 3.051 1.00 0.00 C ATOM 784 O PHE A 48 4.809 14.265 3.824 1.00 0.00 O ATOM 785 CB PHE A 48 2.940 11.916 2.830 1.00 0.00 C ATOM 786 CG PHE A 48 1.890 11.399 1.876 1.00 0.00 C ATOM 787 CD1 PHE A 48 0.981 12.285 1.284 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.827 10.031 1.582 1.00 0.00 C ATOM 789 CE1 PHE A 48 0.010 11.803 0.398 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.856 9.550 0.696 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.053 10.436 0.104 1.00 0.00 C ATOM 0 H PHE A 48 4.621 11.281 0.980 1.00 0.00 H new ATOM 0 HA PHE A 48 3.284 13.805 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.534 11.087 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.464 12.394 3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.029 13.340 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.527 9.348 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.691 12.486 -0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.808 8.495 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.802 10.064 -0.579 1.00 0.00 H new ATOM 801 N LYS A 49 6.106 12.670 2.991 1.00 0.00 N ATOM 802 CA LYS A 49 7.287 12.984 3.880 1.00 0.00 C ATOM 803 C LYS A 49 7.109 12.292 5.238 1.00 0.00 C ATOM 804 O LYS A 49 7.890 11.434 5.605 1.00 0.00 O ATOM 805 CB LYS A 49 7.482 14.500 4.093 1.00 0.00 C ATOM 806 CG LYS A 49 7.482 15.229 2.744 1.00 0.00 C ATOM 807 CD LYS A 49 7.480 16.742 2.979 1.00 0.00 C ATOM 808 CE LYS A 49 6.067 17.203 3.343 1.00 0.00 C ATOM 809 NZ LYS A 49 5.342 17.612 2.108 1.00 0.00 N ATOM 0 H LYS A 49 6.266 11.896 2.347 1.00 0.00 H new ATOM 0 HA LYS A 49 8.179 12.610 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.685 14.891 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.422 14.683 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.359 14.942 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.607 14.940 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.174 16.997 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.823 17.260 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.528 16.398 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.115 18.038 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.382 17.925 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.853 18.393 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.285 16.804 1.456 1.00 0.00 H new ATOM 823 N HIS A 50 6.095 12.652 5.985 1.00 0.00 N ATOM 824 CA HIS A 50 5.874 12.013 7.315 1.00 0.00 C ATOM 825 C HIS A 50 4.706 11.022 7.220 1.00 0.00 C ATOM 826 O HIS A 50 3.689 11.178 7.872 1.00 0.00 O ATOM 827 CB HIS A 50 5.552 13.096 8.349 1.00 0.00 C ATOM 828 CG HIS A 50 6.782 13.922 8.611 1.00 0.00 C ATOM 829 ND1 HIS A 50 6.871 15.253 8.239 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.982 13.617 9.205 1.00 0.00 C ATOM 831 CE1 HIS A 50 8.086 15.697 8.608 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.804 14.739 9.201 1.00 0.00 N ATOM 0 H HIS A 50 5.410 13.363 5.729 1.00 0.00 H new ATOM 0 HA HIS A 50 6.774 11.478 7.619 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.745 13.732 7.986 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.205 12.638 9.275 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.247 12.653 9.613 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.438 16.705 8.445 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.751 14.814 9.571 1.00 0.00 H new ATOM 840 N SER A 51 4.847 9.999 6.412 1.00 0.00 N ATOM 841 CA SER A 51 3.751 8.994 6.272 1.00 0.00 C ATOM 842 C SER A 51 4.346 7.585 6.298 1.00 0.00 C ATOM 843 O SER A 51 5.551 7.414 6.332 1.00 0.00 O ATOM 844 CB SER A 51 3.018 9.219 4.949 1.00 0.00 C ATOM 845 OG SER A 51 1.795 8.493 4.959 1.00 0.00 O ATOM 0 H SER A 51 5.675 9.818 5.844 1.00 0.00 H new ATOM 0 HA SER A 51 3.047 9.105 7.097 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.822 10.282 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.640 8.894 4.115 1.00 0.00 H new ATOM 0 HG SER A 51 1.250 8.759 4.189 1.00 0.00 H new ATOM 851 N ASN A 52 3.512 6.576 6.290 1.00 0.00 N ATOM 852 CA ASN A 52 4.028 5.175 6.324 1.00 0.00 C ATOM 853 C ASN A 52 3.194 4.289 5.393 1.00 0.00 C ATOM 854 O ASN A 52 2.083 4.625 5.026 1.00 0.00 O ATOM 855 CB ASN A 52 3.941 4.637 7.754 1.00 0.00 C ATOM 856 CG ASN A 52 5.225 4.991 8.513 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.310 4.847 7.987 1.00 0.00 O ATOM 858 ND2 ASN A 52 5.150 5.453 9.735 1.00 0.00 N ATOM 0 H ASN A 52 2.496 6.662 6.261 1.00 0.00 H new ATOM 0 HA ASN A 52 5.066 5.166 5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.076 5.064 8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.801 3.556 7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.002 5.691 10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.240 5.575 10.179 1.00 0.00 H new ATOM 865 N PHE A 53 3.729 3.157 5.009 1.00 0.00 N ATOM 866 CA PHE A 53 2.990 2.227 4.097 1.00 0.00 C ATOM 867 C PHE A 53 1.598 1.919 4.665 1.00 0.00 C ATOM 868 O PHE A 53 0.644 1.764 3.932 1.00 0.00 O ATOM 869 CB PHE A 53 3.780 0.920 3.957 1.00 0.00 C ATOM 870 CG PHE A 53 3.998 0.299 5.321 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.052 -0.592 5.841 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.142 0.617 6.066 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.247 -1.166 7.102 1.00 0.00 C ATOM 874 CE2 PHE A 53 5.337 0.043 7.329 1.00 0.00 C ATOM 875 CZ PHE A 53 4.390 -0.848 7.846 1.00 0.00 C ATOM 0 H PHE A 53 4.655 2.834 5.290 1.00 0.00 H new ATOM 0 HA PHE A 53 2.878 2.701 3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.239 0.225 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.740 1.115 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.170 -0.837 5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.873 1.304 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.516 -1.854 7.501 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.218 0.288 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.541 -1.291 8.819 1.00 0.00 H new ATOM 885 N ALA A 54 1.489 1.824 5.964 1.00 0.00 N ATOM 886 CA ALA A 54 0.172 1.522 6.595 1.00 0.00 C ATOM 887 C ALA A 54 -0.821 2.646 6.282 1.00 0.00 C ATOM 888 O ALA A 54 -1.967 2.398 5.955 1.00 0.00 O ATOM 889 CB ALA A 54 0.352 1.413 8.110 1.00 0.00 C ATOM 0 H ALA A 54 2.262 1.944 6.619 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.212 0.581 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.609 1.192 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.057 0.613 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.736 2.356 8.500 1.00 0.00 H new ATOM 895 N SER A 55 -0.388 3.878 6.381 1.00 0.00 N ATOM 896 CA SER A 55 -1.300 5.029 6.095 1.00 0.00 C ATOM 897 C SER A 55 -1.801 4.938 4.649 1.00 0.00 C ATOM 898 O SER A 55 -2.963 5.169 4.367 1.00 0.00 O ATOM 899 CB SER A 55 -0.535 6.340 6.292 1.00 0.00 C ATOM 900 OG SER A 55 -0.857 6.881 7.565 1.00 0.00 O ATOM 0 H SER A 55 0.561 4.137 6.649 1.00 0.00 H new ATOM 0 HA SER A 55 -2.152 4.999 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.538 6.163 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.795 7.049 5.506 1.00 0.00 H new ATOM 0 HG SER A 55 -0.368 7.720 7.697 1.00 0.00 H new ATOM 906 N PHE A 56 -0.928 4.600 3.737 1.00 0.00 N ATOM 907 CA PHE A 56 -1.328 4.485 2.302 1.00 0.00 C ATOM 908 C PHE A 56 -2.434 3.437 2.154 1.00 0.00 C ATOM 909 O PHE A 56 -3.471 3.687 1.571 1.00 0.00 O ATOM 910 CB PHE A 56 -0.107 4.053 1.481 1.00 0.00 C ATOM 911 CG PHE A 56 -0.412 4.143 0.004 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.960 5.313 -0.530 1.00 0.00 C ATOM 913 CD2 PHE A 56 -0.134 3.055 -0.834 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.233 5.399 -1.901 1.00 0.00 C ATOM 915 CE2 PHE A 56 -0.404 3.140 -2.204 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.954 4.313 -2.738 1.00 0.00 C ATOM 0 H PHE A 56 0.054 4.397 3.926 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.697 5.447 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.746 4.687 1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.172 3.032 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.173 6.152 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.289 2.151 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.658 6.303 -2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.189 2.302 -2.850 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.163 4.379 -3.796 1.00 0.00 H new ATOM 926 N VAL A 57 -2.211 2.265 2.682 1.00 0.00 N ATOM 927 CA VAL A 57 -3.229 1.176 2.592 1.00 0.00 C ATOM 928 C VAL A 57 -4.523 1.615 3.286 1.00 0.00 C ATOM 929 O VAL A 57 -5.586 1.094 3.007 1.00 0.00 O ATOM 930 CB VAL A 57 -2.688 -0.086 3.277 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.674 -1.241 3.078 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.334 -0.467 2.667 1.00 0.00 C ATOM 0 H VAL A 57 -1.357 2.011 3.178 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.437 0.965 1.543 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.564 0.111 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.288 -2.137 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.637 -0.977 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.799 -1.433 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.954 -1.364 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.456 -0.660 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.628 0.351 2.809 1.00 0.00 H new ATOM 942 N ARG A 58 -4.442 2.563 4.189 1.00 0.00 N ATOM 943 CA ARG A 58 -5.667 3.033 4.901 1.00 0.00 C ATOM 944 C ARG A 58 -6.541 3.836 3.933 1.00 0.00 C ATOM 945 O ARG A 58 -7.743 3.659 3.877 1.00 0.00 O ATOM 946 CB ARG A 58 -5.259 3.920 6.082 1.00 0.00 C ATOM 947 CG ARG A 58 -6.207 3.682 7.260 1.00 0.00 C ATOM 948 CD ARG A 58 -5.502 4.054 8.567 1.00 0.00 C ATOM 949 NE ARG A 58 -6.286 3.534 9.723 1.00 0.00 N ATOM 950 CZ ARG A 58 -7.075 4.332 10.389 1.00 0.00 C ATOM 951 NH1 ARG A 58 -8.233 4.666 9.892 1.00 0.00 N ATOM 952 NH2 ARG A 58 -6.705 4.794 11.552 1.00 0.00 N ATOM 0 H ARG A 58 -3.578 3.031 4.462 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.229 2.175 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.234 3.699 6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.286 4.969 5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.111 4.279 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.516 2.637 7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.495 3.637 8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.400 5.137 8.641 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.206 2.554 9.994 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.522 4.304 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.850 5.290 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.799 4.531 11.940 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.322 5.418 12.073 1.00 0.00 H new ATOM 966 N GLN A 59 -5.942 4.717 3.173 1.00 0.00 N ATOM 967 CA GLN A 59 -6.726 5.542 2.203 1.00 0.00 C ATOM 968 C GLN A 59 -7.314 4.644 1.106 1.00 0.00 C ATOM 969 O GLN A 59 -8.485 4.726 0.788 1.00 0.00 O ATOM 970 CB GLN A 59 -5.804 6.580 1.554 1.00 0.00 C ATOM 971 CG GLN A 59 -5.609 7.784 2.484 1.00 0.00 C ATOM 972 CD GLN A 59 -6.954 8.471 2.739 1.00 0.00 C ATOM 973 OE1 GLN A 59 -7.428 8.507 3.857 1.00 0.00 O ATOM 974 NE2 GLN A 59 -7.590 9.023 1.744 1.00 0.00 N ATOM 0 H GLN A 59 -4.939 4.902 3.182 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.535 6.042 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.838 6.127 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.229 6.910 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.173 7.458 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.909 8.490 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.192 8.993 0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.485 9.485 1.904 1.00 0.00 H new ATOM 983 N LEU A 60 -6.502 3.802 0.516 1.00 0.00 N ATOM 984 CA LEU A 60 -6.997 2.906 -0.575 1.00 0.00 C ATOM 985 C LEU A 60 -8.070 1.956 -0.037 1.00 0.00 C ATOM 986 O LEU A 60 -8.975 1.566 -0.750 1.00 0.00 O ATOM 987 CB LEU A 60 -5.828 2.084 -1.123 1.00 0.00 C ATOM 988 CG LEU A 60 -4.872 2.999 -1.892 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.519 2.304 -2.061 1.00 0.00 C ATOM 990 CD2 LEU A 60 -5.461 3.304 -3.271 1.00 0.00 C ATOM 0 H LEU A 60 -5.513 3.696 0.744 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.428 3.518 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.300 1.595 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.200 1.297 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.735 3.927 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.840 2.958 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.098 2.084 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.654 1.375 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.782 3.956 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.597 2.374 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.424 3.800 -3.154 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.968 1.574 1.208 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.973 0.638 1.796 1.00 0.00 C ATOM 1004 C ASN A 61 -10.289 1.374 2.044 1.00 0.00 C ATOM 1005 O ASN A 61 -11.353 0.785 1.995 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.441 0.082 3.119 1.00 0.00 C ATOM 1007 CG ASN A 61 -7.728 -1.247 2.862 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -6.588 -1.421 3.243 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.357 -2.198 2.229 1.00 0.00 N ATOM 0 H ASN A 61 -7.230 1.870 1.846 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.148 -0.182 1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.753 0.794 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.262 -0.063 3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.892 -3.089 2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.314 -2.051 1.909 1.00 0.00 H new ATOM 1016 N MET A 62 -10.228 2.653 2.310 1.00 0.00 N ATOM 1017 CA MET A 62 -11.480 3.426 2.564 1.00 0.00 C ATOM 1018 C MET A 62 -12.120 3.867 1.239 1.00 0.00 C ATOM 1019 O MET A 62 -13.105 4.582 1.238 1.00 0.00 O ATOM 1020 CB MET A 62 -11.152 4.661 3.408 1.00 0.00 C ATOM 1021 CG MET A 62 -11.217 4.293 4.891 1.00 0.00 C ATOM 1022 SD MET A 62 -12.940 4.332 5.448 1.00 0.00 S ATOM 1023 CE MET A 62 -13.186 2.542 5.552 1.00 0.00 C ATOM 0 H MET A 62 -9.366 3.195 2.362 1.00 0.00 H new ATOM 0 HA MET A 62 -12.185 2.788 3.097 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.159 5.033 3.157 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.857 5.463 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 62 -10.795 3.301 5.049 1.00 0.00 H new ATOM 0 HG3 MET A 62 -10.618 4.991 5.476 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.993 2.246 4.882 1.00 0.00 H new ATOM 0 HE2 MET A 62 -12.268 2.031 5.262 1.00 0.00 H new ATOM 0 HE3 MET A 62 -13.445 2.269 6.575 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.577 3.457 0.112 1.00 0.00 N ATOM 1034 CA TYR A 63 -12.172 3.870 -1.192 1.00 0.00 C ATOM 1035 C TYR A 63 -12.731 2.648 -1.932 1.00 0.00 C ATOM 1036 O TYR A 63 -13.745 2.741 -2.599 1.00 0.00 O ATOM 1037 CB TYR A 63 -11.102 4.555 -2.044 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.865 5.951 -1.515 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.941 6.837 -1.359 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.571 6.360 -1.178 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.720 8.128 -0.865 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -9.348 7.652 -0.685 1.00 0.00 C ATOM 1043 CZ TYR A 63 -10.424 8.537 -0.529 1.00 0.00 C ATOM 1044 OH TYR A 63 -10.205 9.811 -0.043 1.00 0.00 O ATOM 0 H TYR A 63 -10.754 2.859 0.045 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.990 4.567 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.176 3.981 -2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.421 4.597 -3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.941 6.523 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.742 5.678 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.550 8.809 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.348 7.966 -0.425 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.281 9.806 0.934 1.00 0.00 H new ATOM 1054 N GLY A 64 -12.095 1.504 -1.817 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.621 0.291 -2.517 1.00 0.00 C ATOM 1056 C GLY A 64 -11.490 -0.684 -2.868 1.00 0.00 C ATOM 1057 O GLY A 64 -11.736 -1.848 -3.124 1.00 0.00 O ATOM 0 H GLY A 64 -11.243 1.360 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.352 -0.210 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.141 0.590 -3.427 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.260 -0.230 -2.889 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.131 -1.151 -3.232 1.00 0.00 C ATOM 1063 C TRP A 65 -8.885 -2.117 -2.072 1.00 0.00 C ATOM 1064 O TRP A 65 -9.177 -1.818 -0.930 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.856 -0.341 -3.484 1.00 0.00 C ATOM 1066 CG TRP A 65 -8.055 0.565 -4.655 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.638 1.783 -4.605 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.677 0.348 -6.045 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -8.644 2.328 -5.876 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -8.064 1.481 -6.798 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -7.043 -0.712 -6.719 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.832 1.561 -8.173 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.807 -0.635 -8.102 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -7.201 0.498 -8.826 1.00 0.00 C ATOM 0 H TRP A 65 -9.990 0.732 -2.685 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.392 -1.711 -4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.605 0.244 -2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.018 -1.013 -3.671 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -9.034 2.254 -3.718 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.030 3.244 -6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.736 -1.590 -6.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.137 2.436 -8.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.319 -1.454 -8.610 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.017 0.550 -9.889 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.342 -3.273 -2.363 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.062 -4.273 -1.292 1.00 0.00 C ATOM 1087 C HIS A 66 -6.925 -5.193 -1.745 1.00 0.00 C ATOM 1088 O HIS A 66 -6.525 -5.172 -2.894 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.315 -5.113 -1.034 1.00 0.00 C ATOM 1090 CG HIS A 66 -10.430 -4.225 -0.557 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.419 -3.760 -1.409 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -10.726 -3.707 0.679 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.256 -2.998 -0.681 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -11.880 -2.933 0.598 1.00 0.00 N ATOM 0 H HIS A 66 -8.080 -3.567 -3.304 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.776 -3.754 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.613 -5.629 -1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.104 -5.880 -0.289 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -11.498 -3.959 -2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.151 -3.874 1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.126 -2.500 -1.083 1.00 0.00 H new ATOM 1102 N LYS A 67 -6.407 -6.003 -0.854 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.299 -6.930 -1.237 1.00 0.00 C ATOM 1104 C LYS A 67 -5.882 -8.129 -1.990 1.00 0.00 C ATOM 1105 O LYS A 67 -7.029 -8.488 -1.806 1.00 0.00 O ATOM 1106 CB LYS A 67 -4.575 -7.421 0.019 1.00 0.00 C ATOM 1107 CG LYS A 67 -3.364 -6.526 0.294 1.00 0.00 C ATOM 1108 CD LYS A 67 -3.828 -5.233 0.968 1.00 0.00 C ATOM 1109 CE LYS A 67 -3.891 -5.433 2.485 1.00 0.00 C ATOM 1110 NZ LYS A 67 -5.139 -4.814 3.016 1.00 0.00 N ATOM 0 H LYS A 67 -6.704 -6.062 0.120 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.591 -6.402 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.253 -7.405 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.254 -8.454 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.651 -7.047 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.848 -6.298 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.143 -4.420 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.809 -4.946 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.870 -6.496 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.019 -4.982 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.183 -4.949 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.141 -3.797 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.965 -5.264 2.573 1.00 0.00 H new ATOM 1124 N VAL A 68 -5.097 -8.745 -2.838 1.00 0.00 N ATOM 1125 CA VAL A 68 -5.597 -9.919 -3.613 1.00 0.00 C ATOM 1126 C VAL A 68 -4.500 -10.990 -3.679 1.00 0.00 C ATOM 1127 O VAL A 68 -3.324 -10.682 -3.738 1.00 0.00 O ATOM 1128 CB VAL A 68 -5.982 -9.461 -5.029 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -4.756 -8.875 -5.735 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -6.517 -10.649 -5.835 1.00 0.00 C ATOM 0 H VAL A 68 -4.129 -8.484 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.474 -10.343 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.757 -8.698 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.034 -8.552 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.384 -8.021 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.977 -9.634 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.788 -10.316 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.748 -11.418 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.397 -11.059 -5.339 1.00 0.00 H new ATOM 1140 N GLN A 69 -4.879 -12.245 -3.672 1.00 0.00 N ATOM 1141 CA GLN A 69 -3.867 -13.340 -3.736 1.00 0.00 C ATOM 1142 C GLN A 69 -4.556 -14.639 -4.169 1.00 0.00 C ATOM 1143 O GLN A 69 -4.431 -15.069 -5.301 1.00 0.00 O ATOM 1144 CB GLN A 69 -3.230 -13.525 -2.351 1.00 0.00 C ATOM 1145 CG GLN A 69 -1.834 -12.890 -2.333 1.00 0.00 C ATOM 1146 CD GLN A 69 -1.611 -12.177 -0.997 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -1.886 -10.999 -0.869 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -1.118 -12.844 0.009 1.00 0.00 N ATOM 0 H GLN A 69 -5.849 -12.557 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.091 -13.085 -4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.858 -13.066 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.160 -14.586 -2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.073 -13.657 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.735 -12.182 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.887 -13.832 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.963 -12.378 0.903 1.00 0.00 H new ATOM 1157 N ASP A 70 -5.284 -15.260 -3.275 1.00 0.00 N ATOM 1158 CA ASP A 70 -5.991 -16.530 -3.621 1.00 0.00 C ATOM 1159 C ASP A 70 -6.773 -17.018 -2.398 1.00 0.00 C ATOM 1160 O ASP A 70 -6.967 -16.287 -1.445 1.00 0.00 O ATOM 1161 CB ASP A 70 -4.966 -17.596 -4.037 1.00 0.00 C ATOM 1162 CG ASP A 70 -5.450 -18.312 -5.300 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -6.638 -18.570 -5.392 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -4.624 -18.589 -6.155 1.00 0.00 O ATOM 0 H ASP A 70 -5.419 -14.940 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.678 -16.353 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.997 -17.131 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.827 -18.315 -3.230 1.00 0.00 H new ATOM 1169 N VAL A 71 -7.215 -18.252 -2.415 1.00 0.00 N ATOM 1170 CA VAL A 71 -7.980 -18.794 -1.254 1.00 0.00 C ATOM 1171 C VAL A 71 -7.080 -19.726 -0.439 1.00 0.00 C ATOM 1172 O VAL A 71 -7.544 -20.665 0.181 1.00 0.00 O ATOM 1173 CB VAL A 71 -9.200 -19.571 -1.755 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -10.160 -18.613 -2.462 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -8.756 -20.659 -2.737 1.00 0.00 C ATOM 0 H VAL A 71 -7.078 -18.907 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.313 -17.968 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.702 -20.034 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.029 -19.166 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.483 -17.841 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.653 -18.148 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.629 -21.209 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.249 -20.199 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.074 -21.345 -2.236 1.00 0.00 H new ATOM 1185 N LYS A 72 -5.796 -19.471 -0.436 1.00 0.00 N ATOM 1186 CA LYS A 72 -4.856 -20.334 0.336 1.00 0.00 C ATOM 1187 C LYS A 72 -3.759 -19.464 0.953 1.00 0.00 C ATOM 1188 O LYS A 72 -2.888 -18.969 0.263 1.00 0.00 O ATOM 1189 CB LYS A 72 -4.220 -21.362 -0.601 1.00 0.00 C ATOM 1190 CG LYS A 72 -5.316 -22.191 -1.276 1.00 0.00 C ATOM 1191 CD LYS A 72 -4.709 -23.489 -1.817 1.00 0.00 C ATOM 1192 CE LYS A 72 -5.473 -23.928 -3.070 1.00 0.00 C ATOM 1193 NZ LYS A 72 -5.439 -25.416 -3.181 1.00 0.00 N ATOM 0 H LYS A 72 -5.358 -18.698 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.402 -20.850 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.616 -20.857 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.550 -22.014 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.109 -22.417 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.770 -21.622 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.656 -23.339 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.756 -24.269 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.505 -23.580 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.028 -23.477 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.958 -25.713 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.452 -25.737 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.883 -25.837 -2.340 1.00 0.00 H new ATOM 1207 N SER A 73 -3.797 -19.272 2.249 1.00 0.00 N ATOM 1208 CA SER A 73 -2.760 -18.433 2.920 1.00 0.00 C ATOM 1209 C SER A 73 -1.468 -19.239 3.081 1.00 0.00 C ATOM 1210 O SER A 73 -0.499 -19.019 2.379 1.00 0.00 O ATOM 1211 CB SER A 73 -3.272 -18.000 4.296 1.00 0.00 C ATOM 1212 OG SER A 73 -3.823 -16.693 4.203 1.00 0.00 O ATOM 0 H SER A 73 -4.505 -19.662 2.871 1.00 0.00 H new ATOM 0 HA SER A 73 -2.557 -17.551 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.027 -18.701 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.458 -18.013 5.020 1.00 0.00 H new ATOM 0 HG SER A 73 -4.153 -16.414 5.082 1.00 0.00 H new ATOM 1218 N GLY A 74 -1.449 -20.168 4.005 1.00 0.00 N ATOM 1219 CA GLY A 74 -0.222 -20.991 4.222 1.00 0.00 C ATOM 1220 C GLY A 74 0.923 -20.090 4.685 1.00 0.00 C ATOM 1221 O GLY A 74 2.061 -20.271 4.299 1.00 0.00 O ATOM 0 H GLY A 74 -2.233 -20.391 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.416 -21.762 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.054 -21.502 3.299 1.00 0.00 H new ATOM 1225 N SER A 75 0.626 -19.114 5.513 1.00 0.00 N ATOM 1226 CA SER A 75 1.681 -18.174 6.025 1.00 0.00 C ATOM 1227 C SER A 75 2.547 -17.648 4.870 1.00 0.00 C ATOM 1228 O SER A 75 3.526 -18.262 4.488 1.00 0.00 O ATOM 1229 CB SER A 75 2.571 -18.888 7.051 1.00 0.00 C ATOM 1230 OG SER A 75 2.766 -20.244 6.669 1.00 0.00 O ATOM 0 H SER A 75 -0.314 -18.926 5.861 1.00 0.00 H new ATOM 0 HA SER A 75 1.183 -17.330 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.533 -18.381 7.125 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.110 -18.843 8.038 1.00 0.00 H new ATOM 0 HG SER A 75 3.054 -20.282 5.733 1.00 0.00 H new ATOM 1236 N MET A 76 2.188 -16.518 4.315 1.00 0.00 N ATOM 1237 CA MET A 76 2.981 -15.948 3.187 1.00 0.00 C ATOM 1238 C MET A 76 3.671 -14.659 3.644 1.00 0.00 C ATOM 1239 O MET A 76 3.912 -13.765 2.855 1.00 0.00 O ATOM 1240 CB MET A 76 2.050 -15.642 2.010 1.00 0.00 C ATOM 1241 CG MET A 76 2.140 -16.769 0.979 1.00 0.00 C ATOM 1242 SD MET A 76 0.742 -16.651 -0.162 1.00 0.00 S ATOM 1243 CE MET A 76 1.520 -17.490 -1.562 1.00 0.00 C ATOM 0 H MET A 76 1.378 -15.966 4.596 1.00 0.00 H new ATOM 0 HA MET A 76 3.735 -16.670 2.874 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.024 -15.539 2.362 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.327 -14.693 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.079 -16.700 0.430 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.134 -17.737 1.480 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.820 -17.531 -2.396 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.413 -16.942 -1.864 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.797 -18.503 -1.271 1.00 0.00 H new ATOM 1253 N LEU A 77 3.995 -14.564 4.908 1.00 0.00 N ATOM 1254 CA LEU A 77 4.678 -13.339 5.419 1.00 0.00 C ATOM 1255 C LEU A 77 6.184 -13.483 5.196 1.00 0.00 C ATOM 1256 O LEU A 77 6.835 -12.590 4.685 1.00 0.00 O ATOM 1257 CB LEU A 77 4.396 -13.177 6.915 1.00 0.00 C ATOM 1258 CG LEU A 77 3.061 -12.456 7.109 1.00 0.00 C ATOM 1259 CD1 LEU A 77 1.909 -13.439 6.890 1.00 0.00 C ATOM 1260 CD2 LEU A 77 2.986 -11.899 8.533 1.00 0.00 C ATOM 0 H LEU A 77 3.816 -15.283 5.609 1.00 0.00 H new ATOM 0 HA LEU A 77 4.306 -12.462 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.367 -14.154 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.199 -12.611 7.388 1.00 0.00 H new ATOM 0 HG LEU A 77 2.984 -11.640 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.959 -12.923 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.960 -13.839 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.986 -14.256 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.035 -11.385 8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.065 -12.718 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.805 -11.197 8.693 1.00 0.00 H new ATOM 1272 N SER A 78 6.739 -14.604 5.580 1.00 0.00 N ATOM 1273 CA SER A 78 8.206 -14.829 5.399 1.00 0.00 C ATOM 1274 C SER A 78 9.005 -13.727 6.109 1.00 0.00 C ATOM 1275 O SER A 78 10.151 -13.485 5.788 1.00 0.00 O ATOM 1276 CB SER A 78 8.539 -14.817 3.907 1.00 0.00 C ATOM 1277 OG SER A 78 9.939 -14.995 3.741 1.00 0.00 O ATOM 0 H SER A 78 6.236 -15.378 6.014 1.00 0.00 H new ATOM 0 HA SER A 78 8.473 -15.793 5.831 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.996 -15.611 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.224 -13.874 3.459 1.00 0.00 H new ATOM 0 HG SER A 78 10.404 -14.707 4.554 1.00 0.00 H new ATOM 1283 N ASN A 79 8.407 -13.060 7.070 1.00 0.00 N ATOM 1284 CA ASN A 79 9.122 -11.972 7.805 1.00 0.00 C ATOM 1285 C ASN A 79 9.597 -10.893 6.808 1.00 0.00 C ATOM 1286 O ASN A 79 8.876 -9.952 6.530 1.00 0.00 O ATOM 1287 CB ASN A 79 10.307 -12.577 8.578 1.00 0.00 C ATOM 1288 CG ASN A 79 11.095 -11.475 9.301 1.00 0.00 C ATOM 1289 OD1 ASN A 79 10.738 -10.314 9.248 1.00 0.00 O ATOM 1290 ND2 ASN A 79 12.162 -11.798 9.980 1.00 0.00 N ATOM 0 H ASN A 79 7.448 -13.226 7.377 1.00 0.00 H new ATOM 0 HA ASN A 79 8.448 -11.498 8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 79 9.943 -13.306 9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.963 -13.110 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.695 -11.077 10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.462 -12.772 10.025 1.00 0.00 H new ATOM 1297 N ASN A 80 10.789 -11.014 6.270 1.00 0.00 N ATOM 1298 CA ASN A 80 11.283 -9.991 5.301 1.00 0.00 C ATOM 1299 C ASN A 80 10.882 -10.396 3.883 1.00 0.00 C ATOM 1300 O ASN A 80 11.412 -11.339 3.325 1.00 0.00 O ATOM 1301 CB ASN A 80 12.806 -9.896 5.393 1.00 0.00 C ATOM 1302 CG ASN A 80 13.204 -9.531 6.822 1.00 0.00 C ATOM 1303 OD1 ASN A 80 12.758 -8.534 7.353 1.00 0.00 O ATOM 1304 ND2 ASN A 80 14.029 -10.304 7.474 1.00 0.00 N ATOM 0 H ASN A 80 11.438 -11.777 6.462 1.00 0.00 H new ATOM 0 HA ASN A 80 10.843 -9.023 5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.259 -10.846 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.178 -9.144 4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.299 -10.071 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 80 14.404 -11.141 7.028 1.00 0.00 H new ATOM 1311 N ASP A 81 9.951 -9.688 3.295 1.00 0.00 N ATOM 1312 CA ASP A 81 9.515 -10.025 1.909 1.00 0.00 C ATOM 1313 C ASP A 81 8.594 -8.926 1.380 1.00 0.00 C ATOM 1314 O ASP A 81 7.979 -8.199 2.137 1.00 0.00 O ATOM 1315 CB ASP A 81 8.768 -11.365 1.917 1.00 0.00 C ATOM 1316 CG ASP A 81 9.167 -12.180 0.684 1.00 0.00 C ATOM 1317 OD1 ASP A 81 9.051 -11.656 -0.411 1.00 0.00 O ATOM 1318 OD2 ASP A 81 9.583 -13.314 0.856 1.00 0.00 O ATOM 0 H ASP A 81 9.475 -8.891 3.717 1.00 0.00 H new ATOM 0 HA ASP A 81 10.390 -10.104 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.005 -11.920 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.692 -11.193 1.920 1.00 0.00 H new ATOM 1323 N SER A 82 8.497 -8.806 0.082 1.00 0.00 N ATOM 1324 CA SER A 82 7.617 -7.763 -0.519 1.00 0.00 C ATOM 1325 C SER A 82 7.095 -8.267 -1.865 1.00 0.00 C ATOM 1326 O SER A 82 7.772 -8.181 -2.873 1.00 0.00 O ATOM 1327 CB SER A 82 8.417 -6.477 -0.727 1.00 0.00 C ATOM 1328 OG SER A 82 9.276 -6.273 0.387 1.00 0.00 O ATOM 0 H SER A 82 8.993 -9.390 -0.591 1.00 0.00 H new ATOM 0 HA SER A 82 6.779 -7.559 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.002 -6.543 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.741 -5.629 -0.840 1.00 0.00 H new ATOM 0 HG SER A 82 8.959 -5.507 0.909 1.00 0.00 H new ATOM 1334 N ARG A 83 5.898 -8.798 -1.884 1.00 0.00 N ATOM 1335 CA ARG A 83 5.325 -9.318 -3.159 1.00 0.00 C ATOM 1336 C ARG A 83 3.795 -9.314 -3.073 1.00 0.00 C ATOM 1337 O ARG A 83 3.194 -10.230 -2.543 1.00 0.00 O ATOM 1338 CB ARG A 83 5.831 -10.750 -3.397 1.00 0.00 C ATOM 1339 CG ARG A 83 6.557 -10.832 -4.743 1.00 0.00 C ATOM 1340 CD ARG A 83 5.532 -10.789 -5.877 1.00 0.00 C ATOM 1341 NE ARG A 83 6.215 -11.030 -7.180 1.00 0.00 N ATOM 1342 CZ ARG A 83 5.707 -11.877 -8.032 1.00 0.00 C ATOM 1343 NH1 ARG A 83 5.263 -13.033 -7.619 1.00 0.00 N ATOM 1344 NH2 ARG A 83 5.643 -11.570 -9.299 1.00 0.00 N ATOM 0 H ARG A 83 5.293 -8.893 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 83 5.637 -8.682 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.505 -11.045 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.993 -11.447 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.259 -10.004 -4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.139 -11.752 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.762 -11.543 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.031 -9.821 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 83 7.077 -10.534 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.313 -13.275 -6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.866 -13.695 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.990 -10.667 -9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.246 -12.233 -9.965 1.00 0.00 H new ATOM 1358 N TRP A 84 3.163 -8.295 -3.603 1.00 0.00 N ATOM 1359 CA TRP A 84 1.669 -8.235 -3.570 1.00 0.00 C ATOM 1360 C TRP A 84 1.159 -7.249 -4.632 1.00 0.00 C ATOM 1361 O TRP A 84 1.907 -6.447 -5.160 1.00 0.00 O ATOM 1362 CB TRP A 84 1.174 -7.840 -2.157 1.00 0.00 C ATOM 1363 CG TRP A 84 1.495 -6.408 -1.821 1.00 0.00 C ATOM 1364 CD1 TRP A 84 2.403 -5.636 -2.453 1.00 0.00 C ATOM 1365 CD2 TRP A 84 0.916 -5.575 -0.771 1.00 0.00 C ATOM 1366 NE1 TRP A 84 2.417 -4.382 -1.869 1.00 0.00 N ATOM 1367 CE2 TRP A 84 1.519 -4.297 -0.826 1.00 0.00 C ATOM 1368 CE3 TRP A 84 -0.065 -5.804 0.211 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 1.160 -3.280 0.062 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 -0.427 -4.783 1.107 1.00 0.00 C ATOM 1371 CH2 TRP A 84 0.185 -3.524 1.032 1.00 0.00 C ATOM 0 H TRP A 84 3.618 -7.503 -4.057 1.00 0.00 H new ATOM 0 HA TRP A 84 1.269 -9.223 -3.800 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.097 -7.993 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.632 -8.496 -1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 84 3.021 -5.947 -3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 84 3.017 -3.615 -2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.543 -6.770 0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.633 -2.311 -0.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.181 -4.970 1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.097 -2.744 1.723 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.110 -7.315 -4.954 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.677 -6.396 -5.986 1.00 0.00 C ATOM 1384 C GLU A 85 -2.006 -5.818 -5.489 1.00 0.00 C ATOM 1385 O GLU A 85 -2.802 -6.503 -4.875 1.00 0.00 O ATOM 1386 CB GLU A 85 -0.918 -7.174 -7.285 1.00 0.00 C ATOM 1387 CG GLU A 85 0.387 -7.835 -7.754 1.00 0.00 C ATOM 1388 CD GLU A 85 0.292 -9.355 -7.587 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.020 -9.792 -6.491 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.533 -10.055 -8.557 1.00 0.00 O ATOM 0 H GLU A 85 -0.778 -7.968 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 85 0.026 -5.583 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.683 -7.934 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.292 -6.501 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.576 -7.586 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.228 -7.449 -7.178 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.248 -4.558 -5.756 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.524 -3.919 -5.310 1.00 0.00 C ATOM 1399 C PHE A 86 -4.601 -4.170 -6.364 1.00 0.00 C ATOM 1400 O PHE A 86 -4.342 -4.096 -7.548 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.314 -2.409 -5.163 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.514 -2.115 -3.917 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.217 -2.623 -3.770 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -3.073 -1.327 -2.908 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.482 -2.341 -2.612 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -2.339 -1.044 -1.749 1.00 0.00 C ATOM 1407 CZ PHE A 86 -1.043 -1.552 -1.602 1.00 0.00 C ATOM 0 H PHE A 86 -1.614 -3.943 -6.266 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.830 -4.342 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.794 -2.019 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.278 -1.903 -5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.784 -3.232 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.073 -0.935 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.518 -2.733 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.772 -0.435 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.476 -1.335 -0.709 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.808 -4.462 -5.945 1.00 0.00 N ATOM 1418 CA GLU A 87 -6.901 -4.715 -6.932 1.00 0.00 C ATOM 1419 C GLU A 87 -8.265 -4.533 -6.264 1.00 0.00 C ATOM 1420 O GLU A 87 -8.441 -4.830 -5.098 1.00 0.00 O ATOM 1421 CB GLU A 87 -6.789 -6.148 -7.460 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.783 -6.346 -8.606 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.717 -7.792 -9.095 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.142 -8.666 -8.357 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -7.242 -8.003 -10.199 1.00 0.00 O ATOM 0 H GLU A 87 -6.082 -4.536 -4.965 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.806 -4.007 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.774 -6.341 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.993 -6.859 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.793 -6.110 -8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.552 -5.664 -9.424 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.233 -4.053 -7.005 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.597 -3.856 -6.437 1.00 0.00 C ATOM 1434 C ASN A 88 -11.585 -4.744 -7.197 1.00 0.00 C ATOM 1435 O ASN A 88 -11.792 -4.578 -8.386 1.00 0.00 O ATOM 1436 CB ASN A 88 -11.009 -2.387 -6.575 1.00 0.00 C ATOM 1437 CG ASN A 88 -10.929 -1.960 -8.043 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -9.854 -1.839 -8.595 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -12.031 -1.726 -8.702 1.00 0.00 N ATOM 0 H ASN A 88 -9.133 -3.788 -7.985 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.598 -4.125 -5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.023 -2.248 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.357 -1.759 -5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.989 -1.442 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.934 -1.828 -8.238 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.187 -5.689 -6.523 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.155 -6.599 -7.206 1.00 0.00 C ATOM 1448 C GLU A 89 -14.567 -6.344 -6.673 1.00 0.00 C ATOM 1449 O GLU A 89 -15.490 -6.113 -7.431 1.00 0.00 O ATOM 1450 CB GLU A 89 -12.761 -8.055 -6.940 1.00 0.00 C ATOM 1451 CG GLU A 89 -13.165 -8.932 -8.136 1.00 0.00 C ATOM 1452 CD GLU A 89 -11.940 -9.681 -8.671 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -11.664 -10.760 -8.171 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -11.299 -9.164 -9.572 1.00 0.00 O ATOM 0 H GLU A 89 -12.050 -5.870 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.136 -6.407 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.686 -8.125 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.249 -8.413 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.933 -9.643 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.596 -8.313 -8.923 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.737 -6.385 -5.378 1.00 0.00 N ATOM 1462 CA ARG A 90 -16.088 -6.143 -4.789 1.00 0.00 C ATOM 1463 C ARG A 90 -16.529 -4.711 -5.100 1.00 0.00 C ATOM 1464 O ARG A 90 -15.885 -4.006 -5.854 1.00 0.00 O ATOM 1465 CB ARG A 90 -16.028 -6.345 -3.273 1.00 0.00 C ATOM 1466 CG ARG A 90 -14.945 -5.441 -2.671 1.00 0.00 C ATOM 1467 CD ARG A 90 -14.175 -6.207 -1.594 1.00 0.00 C ATOM 1468 NE ARG A 90 -15.126 -6.697 -0.558 1.00 0.00 N ATOM 1469 CZ ARG A 90 -14.785 -6.676 0.701 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -14.103 -7.667 1.207 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -15.122 -5.663 1.452 1.00 0.00 N ATOM 0 H ARG A 90 -13.998 -6.576 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.804 -6.844 -5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -16.996 -6.115 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.812 -7.389 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.262 -5.106 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.400 -4.549 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.642 -7.047 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.425 -5.560 -1.138 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.043 -7.049 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.837 -8.456 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.836 -7.652 2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.652 -4.888 1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.855 -5.647 2.436 1.00 0.00 H new ATOM 1485 N HIS A 91 -17.621 -4.281 -4.523 1.00 0.00 N ATOM 1486 CA HIS A 91 -18.110 -2.895 -4.778 1.00 0.00 C ATOM 1487 C HIS A 91 -17.315 -1.914 -3.913 1.00 0.00 C ATOM 1488 O HIS A 91 -16.607 -1.063 -4.417 1.00 0.00 O ATOM 1489 CB HIS A 91 -19.606 -2.814 -4.430 1.00 0.00 C ATOM 1490 CG HIS A 91 -20.380 -2.294 -5.613 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -20.177 -2.775 -6.897 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -21.357 -1.337 -5.722 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -21.015 -2.112 -7.716 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -21.757 -1.223 -7.050 1.00 0.00 N ATOM 0 H HIS A 91 -18.196 -4.832 -3.885 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.973 -2.638 -5.828 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -19.976 -3.799 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.754 -2.159 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.756 -0.759 -4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -21.079 -2.279 -8.781 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -22.464 -0.596 -7.433 1.00 0.00 H new ATOM 1502 N ALA A 92 -17.424 -2.032 -2.612 1.00 0.00 N ATOM 1503 CA ALA A 92 -16.674 -1.112 -1.706 1.00 0.00 C ATOM 1504 C ALA A 92 -16.940 -1.502 -0.250 1.00 0.00 C ATOM 1505 O ALA A 92 -16.146 -2.250 0.296 1.00 0.00 O ATOM 1506 CB ALA A 92 -17.135 0.328 -1.941 1.00 0.00 C ATOM 1507 OXT ALA A 92 -17.933 -1.047 0.293 1.00 0.00 O ATOM 0 H ALA A 92 -18.001 -2.727 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.607 -1.189 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.587 0.998 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.945 0.606 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -18.202 0.407 -1.734 1.00 0.00 H new TER 1513 ALA A 92