USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 THR OG1 : rot -51:sc= 0.295 USER MOD Set 1.2: A 76 GLN : amide:sc= -3.12 K(o=-2.2,f=-7.9!) USER MOD Set 1.3: A 85 LYS NZ :NH3+ -108:sc= 0.615 (180deg=-0.421) USER MOD Set 2.1: A 72 GLN : amide:sc= -6.8! C(o=-5.8!,f=-5.4!) USER MOD Set 2.2: A 74 SER OG : rot 106:sc= 0.976 USER MOD Set 3.1: A 63 GLN : amide:sc= -2.62! K(o=-19!,f=-18) USER MOD Set 3.2: A 65 HIS : no HE2:sc= -16.7! C(o=-19!,f=-20!) USER MOD Set 4.1: A 40 THR OG1 : rot 135:sc= 1.36 USER MOD Set 4.2: A 47 TYR OH : rot 142:sc= 0.222! USER MOD Single : A 1 LEU N :NH3+ -106:sc= -0.102 (180deg=-0.778) USER MOD Single : A 7 ASN : amide:sc= -0.197 K(o=-0.2,f=-1) USER MOD Single : A 12 ASN : amide:sc= -2.6! K(o=-2.6!,f=-1.3) USER MOD Single : A 13 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.46) USER MOD Single : A 16 SER OG : rot 180:sc= -0.128 USER MOD Single : A 17 GLN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -128:sc=-0.00301 (180deg=-0.259) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -64:sc= 0.0688 USER MOD Single : A 23 ASN : amide:sc= -2.47 K(o=-2.5,f=-0.83) USER MOD Single : A 26 HIS : no HE2:sc= -11.7! C(o=-12!,f=-13!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.352) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 32 TYR OH : rot 28:sc= 1.14 USER MOD Single : A 33 HIS : no HD1:sc=-0.000137 X(o=-0.00014,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.64 USER MOD Single : A 35 GLN : amide:sc= -3.56 K(o=-3.6,f=1) USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= -0.918 (180deg=-1.35!) USER MOD Single : A 46 SER OG : rot -52:sc= 0.0308 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.049) USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -0.707 (180deg=-1.05) USER MOD Single : A 54 GLN : amide:sc= -3.28 K(o=-3.3,f=-4.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -4.5 K(o=-4.5,f=-2.6) USER MOD Single : A 66 GLN : amide:sc= -7.21! C(o=-7.2!,f=-4.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 72:sc= 0.0495 USER MOD Single : A 82 THR OG1 : rot -94:sc= -3.33! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -24.656 20.864 8.406 1.00 0.00 N ATOM 2 CA LEU A 1 -24.231 19.460 8.108 1.00 0.00 C ATOM 3 C LEU A 1 -25.273 18.456 8.618 1.00 0.00 C ATOM 4 O LEU A 1 -26.243 18.824 9.257 1.00 0.00 O ATOM 5 CB LEU A 1 -22.886 19.271 8.827 1.00 0.00 C ATOM 6 CG LEU A 1 -23.072 19.353 10.349 1.00 0.00 C ATOM 7 CD1 LEU A 1 -22.942 17.967 10.986 1.00 0.00 C ATOM 8 CD2 LEU A 1 -22.070 20.341 10.957 1.00 0.00 C ATOM 0 H1 LEU A 1 -24.975 21.324 7.529 1.00 0.00 H new ATOM 0 H2 LEU A 1 -25.436 20.852 9.094 1.00 0.00 H new ATOM 0 H3 LEU A 1 -23.853 21.393 8.802 1.00 0.00 H new ATOM 0 HA LEU A 1 -24.137 19.288 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -22.456 18.306 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -22.181 20.035 8.499 1.00 0.00 H new ATOM 0 HG LEU A 1 -24.077 19.720 10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -23.077 18.048 12.065 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -23.703 17.304 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -21.953 17.560 10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -22.215 20.388 12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -21.055 20.009 10.741 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -22.227 21.330 10.527 1.00 0.00 H new ATOM 22 N ASP A 2 -25.073 17.190 8.327 1.00 0.00 N ATOM 23 CA ASP A 2 -26.033 16.126 8.767 1.00 0.00 C ATOM 24 C ASP A 2 -27.490 16.528 8.466 1.00 0.00 C ATOM 25 O ASP A 2 -28.295 16.668 9.370 1.00 0.00 O ATOM 26 CB ASP A 2 -25.805 15.972 10.273 1.00 0.00 C ATOM 27 CG ASP A 2 -26.014 14.509 10.670 1.00 0.00 C ATOM 28 OD1 ASP A 2 -27.139 14.157 10.987 1.00 0.00 O ATOM 29 OD2 ASP A 2 -25.046 13.766 10.650 1.00 0.00 O ATOM 0 H ASP A 2 -24.273 16.845 7.796 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.865 15.190 8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -24.796 16.291 10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -26.494 16.612 10.824 1.00 0.00 H new ATOM 34 N PRO A 3 -27.782 16.682 7.195 1.00 0.00 N ATOM 35 CA PRO A 3 -29.141 17.049 6.756 1.00 0.00 C ATOM 36 C PRO A 3 -29.949 15.757 6.522 1.00 0.00 C ATOM 37 O PRO A 3 -30.554 15.229 7.437 1.00 0.00 O ATOM 38 CB PRO A 3 -28.887 17.815 5.458 1.00 0.00 C ATOM 39 CG PRO A 3 -27.559 17.314 4.949 1.00 0.00 C ATOM 40 CD PRO A 3 -26.883 16.529 6.053 1.00 0.00 C ATOM 0 HA PRO A 3 -29.713 17.643 7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -29.680 17.632 4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -28.859 18.890 5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -27.704 16.684 4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -26.932 18.151 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -26.759 15.481 5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -25.890 16.921 6.271 1.00 0.00 H new ATOM 48 N VAL A 4 -29.921 15.219 5.323 1.00 0.00 N ATOM 49 CA VAL A 4 -30.637 13.932 5.052 1.00 0.00 C ATOM 50 C VAL A 4 -29.834 12.816 5.727 1.00 0.00 C ATOM 51 O VAL A 4 -30.297 12.149 6.632 1.00 0.00 O ATOM 52 CB VAL A 4 -30.609 13.782 3.525 1.00 0.00 C ATOM 53 CG1 VAL A 4 -30.952 12.356 3.084 1.00 0.00 C ATOM 54 CG2 VAL A 4 -31.635 14.729 2.894 1.00 0.00 C ATOM 0 H VAL A 4 -29.432 15.617 4.521 1.00 0.00 H new ATOM 0 HA VAL A 4 -31.660 13.899 5.426 1.00 0.00 H new ATOM 0 HB VAL A 4 -29.597 14.021 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -30.921 12.294 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -30.228 11.660 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -31.952 12.098 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -31.612 14.620 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -32.631 14.484 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -31.392 15.758 3.160 1.00 0.00 H new ATOM 64 N ASP A 5 -28.606 12.670 5.309 1.00 0.00 N ATOM 65 CA ASP A 5 -27.677 11.675 5.907 1.00 0.00 C ATOM 66 C ASP A 5 -26.279 12.310 5.844 1.00 0.00 C ATOM 67 O ASP A 5 -25.802 12.803 6.847 1.00 0.00 O ATOM 68 CB ASP A 5 -27.807 10.398 5.064 1.00 0.00 C ATOM 69 CG ASP A 5 -29.052 9.609 5.488 1.00 0.00 C ATOM 70 OD1 ASP A 5 -29.155 9.276 6.658 1.00 0.00 O ATOM 71 OD2 ASP A 5 -29.883 9.353 4.633 1.00 0.00 O ATOM 0 H ASP A 5 -28.198 13.219 4.552 1.00 0.00 H new ATOM 0 HA ASP A 5 -27.886 11.413 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -27.873 10.656 4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -26.917 9.781 5.186 1.00 0.00 H new ATOM 76 N PRO A 6 -25.697 12.379 4.658 1.00 0.00 N ATOM 77 CA PRO A 6 -24.411 13.068 4.490 1.00 0.00 C ATOM 78 C PRO A 6 -24.734 14.508 4.059 1.00 0.00 C ATOM 79 O PRO A 6 -25.883 14.904 4.072 1.00 0.00 O ATOM 80 CB PRO A 6 -23.733 12.290 3.372 1.00 0.00 C ATOM 81 CG PRO A 6 -24.858 11.665 2.592 1.00 0.00 C ATOM 82 CD PRO A 6 -26.147 11.836 3.373 1.00 0.00 C ATOM 0 HA PRO A 6 -23.780 13.111 5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.134 12.947 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.061 11.531 3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -24.945 12.135 1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -24.657 10.607 2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -26.835 12.515 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.669 10.888 3.498 1.00 0.00 H new ATOM 90 N ASN A 7 -23.772 15.293 3.667 1.00 0.00 N ATOM 91 CA ASN A 7 -24.107 16.694 3.249 1.00 0.00 C ATOM 92 C ASN A 7 -24.793 16.707 1.877 1.00 0.00 C ATOM 93 O ASN A 7 -25.836 17.308 1.709 1.00 0.00 O ATOM 94 CB ASN A 7 -22.773 17.440 3.196 1.00 0.00 C ATOM 95 CG ASN A 7 -22.358 17.833 4.615 1.00 0.00 C ATOM 96 OD1 ASN A 7 -22.594 18.943 5.044 1.00 0.00 O ATOM 97 ND2 ASN A 7 -21.745 16.959 5.365 1.00 0.00 N ATOM 0 H ASN A 7 -22.785 15.039 3.616 1.00 0.00 H new ATOM 0 HA ASN A 7 -24.802 17.163 3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -22.008 16.810 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -22.865 18.329 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -21.464 17.209 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -21.547 16.026 5.003 1.00 0.00 H new ATOM 104 N ILE A 8 -24.219 16.051 0.901 1.00 0.00 N ATOM 105 CA ILE A 8 -24.845 16.029 -0.462 1.00 0.00 C ATOM 106 C ILE A 8 -24.873 14.601 -1.035 1.00 0.00 C ATOM 107 O ILE A 8 -25.113 14.412 -2.214 1.00 0.00 O ATOM 108 CB ILE A 8 -23.982 16.955 -1.350 1.00 0.00 C ATOM 109 CG1 ILE A 8 -22.638 16.284 -1.704 1.00 0.00 C ATOM 110 CG2 ILE A 8 -23.738 18.294 -0.639 1.00 0.00 C ATOM 111 CD1 ILE A 8 -21.705 16.222 -0.488 1.00 0.00 C ATOM 0 H ILE A 8 -23.346 15.530 0.985 1.00 0.00 H new ATOM 0 HA ILE A 8 -25.880 16.369 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 8 -24.523 17.141 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -22.820 15.276 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -22.154 16.838 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -23.129 18.938 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -24.693 18.780 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -23.218 18.117 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -20.768 15.744 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -21.503 17.232 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -22.180 15.646 0.306 1.00 0.00 H new ATOM 123 N GLU A 9 -24.626 13.601 -0.215 1.00 0.00 N ATOM 124 CA GLU A 9 -24.629 12.181 -0.707 1.00 0.00 C ATOM 125 C GLU A 9 -23.729 12.047 -1.943 1.00 0.00 C ATOM 126 O GLU A 9 -24.204 11.733 -3.012 1.00 0.00 O ATOM 127 CB GLU A 9 -26.089 11.873 -1.065 1.00 0.00 C ATOM 128 CG GLU A 9 -26.954 11.923 0.199 1.00 0.00 C ATOM 129 CD GLU A 9 -28.443 11.823 -0.160 1.00 0.00 C ATOM 130 OE1 GLU A 9 -28.815 12.268 -1.235 1.00 0.00 O ATOM 131 OE2 GLU A 9 -29.188 11.307 0.655 1.00 0.00 O ATOM 0 H GLU A 9 -24.422 13.709 0.778 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.246 11.489 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.454 12.595 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.160 10.888 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.680 11.106 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.766 12.852 0.738 1.00 0.00 H new ATOM 138 N PRO A 10 -22.452 12.307 -1.756 1.00 0.00 N ATOM 139 CA PRO A 10 -21.479 12.229 -2.876 1.00 0.00 C ATOM 140 C PRO A 10 -20.973 10.798 -3.083 1.00 0.00 C ATOM 141 O PRO A 10 -19.791 10.572 -3.273 1.00 0.00 O ATOM 142 CB PRO A 10 -20.331 13.104 -2.408 1.00 0.00 C ATOM 143 CG PRO A 10 -20.405 13.072 -0.909 1.00 0.00 C ATOM 144 CD PRO A 10 -21.809 12.700 -0.499 1.00 0.00 C ATOM 0 HA PRO A 10 -21.920 12.540 -3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.374 12.723 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.430 14.121 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.692 12.350 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.137 14.045 -0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -21.811 11.883 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -22.324 13.539 -0.032 1.00 0.00 H new ATOM 152 N TRP A 11 -21.842 9.836 -3.073 1.00 0.00 N ATOM 153 CA TRP A 11 -21.382 8.442 -3.293 1.00 0.00 C ATOM 154 C TRP A 11 -21.832 7.985 -4.688 1.00 0.00 C ATOM 155 O TRP A 11 -21.984 6.812 -4.960 1.00 0.00 O ATOM 156 CB TRP A 11 -22.057 7.620 -2.192 1.00 0.00 C ATOM 157 CG TRP A 11 -21.520 8.004 -0.849 1.00 0.00 C ATOM 158 CD1 TRP A 11 -21.929 9.071 -0.123 1.00 0.00 C ATOM 159 CD2 TRP A 11 -20.497 7.338 -0.055 1.00 0.00 C ATOM 160 NE1 TRP A 11 -21.219 9.103 1.063 1.00 0.00 N ATOM 161 CE2 TRP A 11 -20.325 8.055 1.152 1.00 0.00 C ATOM 162 CE3 TRP A 11 -19.707 6.194 -0.263 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -19.404 7.647 2.115 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -18.780 5.785 0.706 1.00 0.00 C ATOM 165 CH2 TRP A 11 -18.630 6.508 1.891 1.00 0.00 C ATOM 0 H TRP A 11 -22.844 9.950 -2.923 1.00 0.00 H new ATOM 0 HA TRP A 11 -20.298 8.333 -3.250 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -23.135 7.780 -2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -21.888 6.558 -2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -22.686 9.781 -0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -21.341 9.814 1.784 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -19.815 5.626 -1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -19.290 8.210 3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -18.178 4.905 0.535 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -17.915 6.186 2.634 1.00 0.00 H new ATOM 176 N ASN A 12 -22.029 8.923 -5.580 1.00 0.00 N ATOM 177 CA ASN A 12 -22.465 8.579 -6.962 1.00 0.00 C ATOM 178 C ASN A 12 -21.335 8.860 -7.949 1.00 0.00 C ATOM 179 O ASN A 12 -20.870 9.977 -8.082 1.00 0.00 O ATOM 180 CB ASN A 12 -23.703 9.444 -7.257 1.00 0.00 C ATOM 181 CG ASN A 12 -23.576 10.836 -6.634 1.00 0.00 C ATOM 182 OD1 ASN A 12 -23.253 11.792 -7.311 1.00 0.00 O ATOM 183 ND2 ASN A 12 -23.819 10.990 -5.360 1.00 0.00 N ATOM 0 H ASN A 12 -21.905 9.920 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.712 7.522 -7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.834 9.537 -8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -24.594 8.950 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -23.738 11.913 -4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -24.090 10.187 -4.792 1.00 0.00 H new ATOM 190 N HIS A 13 -20.884 7.840 -8.625 1.00 0.00 N ATOM 191 CA HIS A 13 -19.769 8.004 -9.598 1.00 0.00 C ATOM 192 C HIS A 13 -20.223 7.605 -11.009 1.00 0.00 C ATOM 193 O HIS A 13 -20.534 6.455 -11.254 1.00 0.00 O ATOM 194 CB HIS A 13 -18.679 7.048 -9.099 1.00 0.00 C ATOM 195 CG HIS A 13 -17.959 7.651 -7.920 1.00 0.00 C ATOM 196 ND1 HIS A 13 -17.165 6.892 -7.077 1.00 0.00 N ATOM 197 CD2 HIS A 13 -17.901 8.935 -7.431 1.00 0.00 C ATOM 198 CE1 HIS A 13 -16.667 7.715 -6.136 1.00 0.00 C ATOM 199 NE2 HIS A 13 -17.085 8.971 -6.305 1.00 0.00 N ATOM 0 H HIS A 13 -21.245 6.889 -8.543 1.00 0.00 H new ATOM 0 HA HIS A 13 -19.422 9.036 -9.660 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.124 6.094 -8.814 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -17.970 6.842 -9.901 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -18.412 9.786 -7.857 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.009 7.398 -5.341 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.855 9.783 -5.732 1.00 0.00 H new ATOM 207 N PRO A 14 -20.233 8.573 -11.897 1.00 0.00 N ATOM 208 CA PRO A 14 -20.635 8.318 -13.305 1.00 0.00 C ATOM 209 C PRO A 14 -19.623 7.415 -14.014 1.00 0.00 C ATOM 210 O PRO A 14 -19.939 6.777 -15.000 1.00 0.00 O ATOM 211 CB PRO A 14 -20.638 9.708 -13.937 1.00 0.00 C ATOM 212 CG PRO A 14 -19.707 10.503 -13.084 1.00 0.00 C ATOM 213 CD PRO A 14 -19.876 9.984 -11.681 1.00 0.00 C ATOM 0 HA PRO A 14 -21.596 7.809 -13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.299 9.675 -14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -21.639 10.140 -13.943 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.677 10.388 -13.420 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.942 11.566 -13.137 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.960 10.085 -11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -20.657 10.521 -11.142 1.00 0.00 H new ATOM 221 N GLY A 15 -18.404 7.380 -13.537 1.00 0.00 N ATOM 222 CA GLY A 15 -17.362 6.547 -14.200 1.00 0.00 C ATOM 223 C GLY A 15 -16.705 7.369 -15.319 1.00 0.00 C ATOM 224 O GLY A 15 -15.739 6.944 -15.924 1.00 0.00 O ATOM 0 H GLY A 15 -18.088 7.895 -12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.613 6.232 -13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.808 5.641 -14.610 1.00 0.00 H new ATOM 228 N SER A 16 -17.227 8.545 -15.592 1.00 0.00 N ATOM 229 CA SER A 16 -16.656 9.409 -16.661 1.00 0.00 C ATOM 230 C SER A 16 -16.141 10.726 -16.057 1.00 0.00 C ATOM 231 O SER A 16 -15.868 11.671 -16.769 1.00 0.00 O ATOM 232 CB SER A 16 -17.836 9.681 -17.597 1.00 0.00 C ATOM 233 OG SER A 16 -17.696 8.905 -18.777 1.00 0.00 O ATOM 0 H SER A 16 -18.034 8.941 -15.110 1.00 0.00 H new ATOM 0 HA SER A 16 -15.814 8.943 -17.174 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.773 9.436 -17.098 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.877 10.741 -17.849 1.00 0.00 H new ATOM 0 HG SER A 16 -18.453 9.079 -19.375 1.00 0.00 H new ATOM 239 N GLN A 17 -15.992 10.783 -14.752 1.00 0.00 N ATOM 240 CA GLN A 17 -15.483 12.019 -14.087 1.00 0.00 C ATOM 241 C GLN A 17 -14.623 11.637 -12.874 1.00 0.00 C ATOM 242 O GLN A 17 -13.429 11.810 -12.908 1.00 0.00 O ATOM 243 CB GLN A 17 -16.722 12.826 -13.678 1.00 0.00 C ATOM 244 CG GLN A 17 -17.269 13.604 -14.881 1.00 0.00 C ATOM 245 CD GLN A 17 -18.801 13.560 -14.865 1.00 0.00 C ATOM 246 OE1 GLN A 17 -19.436 14.408 -14.269 1.00 0.00 O ATOM 247 NE2 GLN A 17 -19.426 12.605 -15.501 1.00 0.00 N ATOM 0 H GLN A 17 -16.205 10.014 -14.116 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.849 12.612 -14.746 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -17.489 12.156 -13.290 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -16.466 13.517 -12.875 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.924 14.637 -14.847 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -16.892 13.173 -15.808 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -18.894 11.893 -16.002 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -20.445 12.572 -15.497 1.00 0.00 H new ATOM 256 N PRO A 18 -15.236 11.099 -11.841 1.00 0.00 N ATOM 257 CA PRO A 18 -14.455 10.684 -10.646 1.00 0.00 C ATOM 258 C PRO A 18 -13.500 9.540 -11.016 1.00 0.00 C ATOM 259 O PRO A 18 -12.571 9.241 -10.290 1.00 0.00 O ATOM 260 CB PRO A 18 -15.521 10.214 -9.662 1.00 0.00 C ATOM 261 CG PRO A 18 -16.668 9.830 -10.536 1.00 0.00 C ATOM 262 CD PRO A 18 -16.668 10.812 -11.676 1.00 0.00 C ATOM 0 HA PRO A 18 -13.835 11.481 -10.235 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.172 9.370 -9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.797 11.004 -8.964 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.556 8.809 -10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.608 9.871 -9.986 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.104 10.386 -12.580 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.238 11.710 -11.439 1.00 0.00 H new ATOM 270 N LYS A 19 -13.727 8.902 -12.144 1.00 0.00 N ATOM 271 CA LYS A 19 -12.847 7.780 -12.576 1.00 0.00 C ATOM 272 C LYS A 19 -12.000 8.182 -13.797 1.00 0.00 C ATOM 273 O LYS A 19 -11.051 7.500 -14.135 1.00 0.00 O ATOM 274 CB LYS A 19 -13.798 6.637 -12.946 1.00 0.00 C ATOM 275 CG LYS A 19 -14.877 6.463 -11.865 1.00 0.00 C ATOM 276 CD LYS A 19 -14.227 6.183 -10.501 1.00 0.00 C ATOM 277 CE LYS A 19 -13.382 4.904 -10.569 1.00 0.00 C ATOM 278 NZ LYS A 19 -14.378 3.791 -10.565 1.00 0.00 N ATOM 0 H LYS A 19 -14.492 9.117 -12.784 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.148 7.497 -11.789 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.268 6.844 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.235 5.710 -13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.490 7.363 -11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.541 5.642 -12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.601 7.026 -10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.998 6.078 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.768 4.883 -11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.704 4.832 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.132 3.108 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.327 4.175 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.369 3.314 -11.489 1.00 0.00 H new ATOM 292 N THR A 20 -12.326 9.272 -14.471 1.00 0.00 N ATOM 293 CA THR A 20 -11.509 9.662 -15.666 1.00 0.00 C ATOM 294 C THR A 20 -11.453 11.189 -15.886 1.00 0.00 C ATOM 295 O THR A 20 -10.414 11.716 -16.239 1.00 0.00 O ATOM 296 CB THR A 20 -12.167 8.949 -16.857 1.00 0.00 C ATOM 297 OG1 THR A 20 -11.375 9.139 -18.024 1.00 0.00 O ATOM 298 CG2 THR A 20 -13.574 9.499 -17.095 1.00 0.00 C ATOM 0 H THR A 20 -13.105 9.892 -14.248 1.00 0.00 H new ATOM 0 HA THR A 20 -10.468 9.368 -15.532 1.00 0.00 H new ATOM 0 HB THR A 20 -12.239 7.884 -16.634 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.795 8.682 -18.782 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.027 8.984 -17.942 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.183 9.339 -16.205 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.516 10.566 -17.308 1.00 0.00 H new ATOM 306 N ALA A 21 -12.537 11.910 -15.693 1.00 0.00 N ATOM 307 CA ALA A 21 -12.490 13.400 -15.914 1.00 0.00 C ATOM 308 C ALA A 21 -12.221 14.154 -14.601 1.00 0.00 C ATOM 309 O ALA A 21 -12.437 15.349 -14.508 1.00 0.00 O ATOM 310 CB ALA A 21 -13.858 13.777 -16.484 1.00 0.00 C ATOM 0 H ALA A 21 -13.440 11.540 -15.397 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.680 13.672 -16.591 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.892 14.851 -16.668 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.022 13.243 -17.420 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.636 13.507 -15.771 1.00 0.00 H new ATOM 316 N SER A 22 -11.751 13.458 -13.595 1.00 0.00 N ATOM 317 CA SER A 22 -11.456 14.081 -12.266 1.00 0.00 C ATOM 318 C SER A 22 -11.015 12.977 -11.303 1.00 0.00 C ATOM 319 O SER A 22 -11.610 12.762 -10.262 1.00 0.00 O ATOM 320 CB SER A 22 -12.769 14.718 -11.798 1.00 0.00 C ATOM 321 OG SER A 22 -12.534 15.480 -10.623 1.00 0.00 O ATOM 0 H SER A 22 -11.554 12.458 -13.641 1.00 0.00 H new ATOM 0 HA SER A 22 -10.664 14.828 -12.315 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.176 15.356 -12.583 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.511 13.944 -11.600 1.00 0.00 H new ATOM 0 HG SER A 22 -12.245 14.885 -9.900 1.00 0.00 H new ATOM 327 N ASN A 23 -9.987 12.256 -11.668 1.00 0.00 N ATOM 328 CA ASN A 23 -9.506 11.142 -10.819 1.00 0.00 C ATOM 329 C ASN A 23 -8.770 11.651 -9.586 1.00 0.00 C ATOM 330 O ASN A 23 -8.757 12.831 -9.283 1.00 0.00 O ATOM 331 CB ASN A 23 -8.562 10.333 -11.717 1.00 0.00 C ATOM 332 CG ASN A 23 -8.843 8.839 -11.541 1.00 0.00 C ATOM 333 OD1 ASN A 23 -7.933 8.033 -11.534 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.073 8.434 -11.395 1.00 0.00 N ATOM 0 H ASN A 23 -9.459 12.398 -12.529 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.336 10.543 -10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.701 10.619 -12.760 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.525 10.551 -11.462 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.272 7.441 -11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.837 9.110 -11.401 1.00 0.00 H new ATOM 341 N ARG A 24 -8.174 10.741 -8.873 1.00 0.00 N ATOM 342 CA ARG A 24 -7.434 11.092 -7.631 1.00 0.00 C ATOM 343 C ARG A 24 -6.689 9.852 -7.093 1.00 0.00 C ATOM 344 O ARG A 24 -5.482 9.756 -7.218 1.00 0.00 O ATOM 345 CB ARG A 24 -8.506 11.598 -6.644 1.00 0.00 C ATOM 346 CG ARG A 24 -9.758 10.719 -6.694 1.00 0.00 C ATOM 347 CD ARG A 24 -11.009 11.596 -6.672 1.00 0.00 C ATOM 348 NE ARG A 24 -12.101 10.624 -6.391 1.00 0.00 N ATOM 349 CZ ARG A 24 -13.348 11.022 -6.331 1.00 0.00 C ATOM 350 NH1 ARG A 24 -13.652 12.147 -5.734 1.00 0.00 N ATOM 351 NH2 ARG A 24 -14.290 10.290 -6.866 1.00 0.00 N ATOM 0 H ARG A 24 -8.168 9.747 -9.103 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.673 11.855 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.101 11.602 -5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.770 12.627 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.748 10.107 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.767 10.035 -5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.948 12.366 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.159 12.107 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.877 9.640 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.917 12.716 -5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.624 12.454 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.053 9.412 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.262 10.597 -6.821 1.00 0.00 H new ATOM 365 N ALA A 25 -7.398 8.899 -6.520 1.00 0.00 N ATOM 366 CA ALA A 25 -6.751 7.654 -5.992 1.00 0.00 C ATOM 367 C ALA A 25 -5.741 7.952 -4.871 1.00 0.00 C ATOM 368 O ALA A 25 -4.621 7.474 -4.895 1.00 0.00 O ATOM 369 CB ALA A 25 -6.048 7.034 -7.199 1.00 0.00 C ATOM 0 H ALA A 25 -8.410 8.935 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.489 6.987 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.548 6.114 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.783 6.809 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.312 7.735 -7.591 1.00 0.00 H new ATOM 375 N HIS A 26 -6.132 8.711 -3.876 1.00 0.00 N ATOM 376 CA HIS A 26 -5.194 9.005 -2.743 1.00 0.00 C ATOM 377 C HIS A 26 -5.949 9.613 -1.550 1.00 0.00 C ATOM 378 O HIS A 26 -6.204 8.931 -0.580 1.00 0.00 O ATOM 379 CB HIS A 26 -4.100 9.956 -3.280 1.00 0.00 C ATOM 380 CG HIS A 26 -4.602 10.917 -4.336 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.731 11.618 -5.157 1.00 0.00 N ATOM 382 CD2 HIS A 26 -5.861 11.321 -4.705 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.472 12.399 -5.964 1.00 0.00 C ATOM 384 NE2 HIS A 26 -5.774 12.259 -5.727 1.00 0.00 N ATOM 0 H HIS A 26 -7.055 9.138 -3.798 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.734 8.088 -2.375 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.685 10.526 -2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.286 9.363 -3.697 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.713 11.553 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.781 10.964 -4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.060 13.059 -6.713 1.00 0.00 H new ATOM 392 N ALA A 27 -6.319 10.874 -1.605 1.00 0.00 N ATOM 393 CA ALA A 27 -7.066 11.495 -0.461 1.00 0.00 C ATOM 394 C ALA A 27 -8.404 10.773 -0.227 1.00 0.00 C ATOM 395 O ALA A 27 -8.992 10.873 0.833 1.00 0.00 O ATOM 396 CB ALA A 27 -7.308 12.945 -0.883 1.00 0.00 C ATOM 0 H ALA A 27 -6.136 11.498 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.507 11.427 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.851 13.467 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.351 13.439 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.894 12.964 -1.802 1.00 0.00 H new ATOM 402 N LYS A 28 -8.882 10.044 -1.210 1.00 0.00 N ATOM 403 CA LYS A 28 -10.176 9.302 -1.064 1.00 0.00 C ATOM 404 C LYS A 28 -10.064 8.206 0.006 1.00 0.00 C ATOM 405 O LYS A 28 -11.051 7.779 0.576 1.00 0.00 O ATOM 406 CB LYS A 28 -10.410 8.652 -2.430 1.00 0.00 C ATOM 407 CG LYS A 28 -10.486 9.710 -3.538 1.00 0.00 C ATOM 408 CD LYS A 28 -11.466 10.817 -3.147 1.00 0.00 C ATOM 409 CE LYS A 28 -10.706 12.139 -3.008 1.00 0.00 C ATOM 410 NZ LYS A 28 -11.735 13.110 -2.535 1.00 0.00 N ATOM 0 H LYS A 28 -8.426 9.931 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.985 9.966 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.603 7.952 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.335 8.076 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.498 10.135 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.804 9.246 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.247 10.911 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.959 10.567 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.885 12.052 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.273 12.450 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.299 14.046 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.501 13.174 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.124 12.788 -1.626 1.00 0.00 H new ATOM 424 N LYS A 29 -8.871 7.735 0.261 1.00 0.00 N ATOM 425 CA LYS A 29 -8.673 6.652 1.271 1.00 0.00 C ATOM 426 C LYS A 29 -7.231 6.677 1.805 1.00 0.00 C ATOM 427 O LYS A 29 -6.692 5.665 2.215 1.00 0.00 O ATOM 428 CB LYS A 29 -8.954 5.349 0.500 1.00 0.00 C ATOM 429 CG LYS A 29 -7.774 4.991 -0.421 1.00 0.00 C ATOM 430 CD LYS A 29 -7.590 6.072 -1.496 1.00 0.00 C ATOM 431 CE LYS A 29 -6.876 5.498 -2.727 1.00 0.00 C ATOM 432 NZ LYS A 29 -5.550 5.032 -2.221 1.00 0.00 N ATOM 0 H LYS A 29 -8.016 8.058 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.324 6.762 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.131 4.536 1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.862 5.461 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.861 4.894 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.953 4.025 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.562 6.472 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.013 6.902 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.443 4.676 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.759 6.254 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.886 4.946 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.180 5.719 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.660 4.106 -1.760 1.00 0.00 H new ATOM 446 N SER A 30 -6.605 7.829 1.790 1.00 0.00 N ATOM 447 CA SER A 30 -5.194 7.939 2.273 1.00 0.00 C ATOM 448 C SER A 30 -5.069 7.464 3.728 1.00 0.00 C ATOM 449 O SER A 30 -4.390 6.495 4.008 1.00 0.00 O ATOM 450 CB SER A 30 -4.844 9.428 2.141 1.00 0.00 C ATOM 451 OG SER A 30 -5.741 10.213 2.918 1.00 0.00 O ATOM 0 H SER A 30 -7.015 8.703 1.461 1.00 0.00 H new ATOM 0 HA SER A 30 -4.515 7.311 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.819 9.599 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.897 9.730 1.095 1.00 0.00 H new ATOM 0 HG SER A 30 -5.508 11.161 2.828 1.00 0.00 H new ATOM 457 N ALA A 31 -5.720 8.131 4.650 1.00 0.00 N ATOM 458 CA ALA A 31 -5.638 7.715 6.084 1.00 0.00 C ATOM 459 C ALA A 31 -6.613 8.539 6.933 1.00 0.00 C ATOM 460 O ALA A 31 -6.210 9.331 7.766 1.00 0.00 O ATOM 461 CB ALA A 31 -4.189 7.992 6.501 1.00 0.00 C ATOM 0 H ALA A 31 -6.305 8.947 4.470 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.905 6.668 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.051 7.711 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.513 7.409 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.972 9.053 6.379 1.00 0.00 H new ATOM 467 N TYR A 32 -7.896 8.359 6.734 1.00 0.00 N ATOM 468 CA TYR A 32 -8.893 9.126 7.531 1.00 0.00 C ATOM 469 C TYR A 32 -10.193 8.318 7.612 1.00 0.00 C ATOM 470 O TYR A 32 -11.285 8.848 7.505 1.00 0.00 O ATOM 471 CB TYR A 32 -9.060 10.466 6.784 1.00 0.00 C ATOM 472 CG TYR A 32 -9.813 10.317 5.475 1.00 0.00 C ATOM 473 CD1 TYR A 32 -9.366 9.441 4.469 1.00 0.00 C ATOM 474 CD2 TYR A 32 -10.962 11.084 5.267 1.00 0.00 C ATOM 475 CE1 TYR A 32 -10.077 9.338 3.267 1.00 0.00 C ATOM 476 CE2 TYR A 32 -11.670 10.980 4.065 1.00 0.00 C ATOM 477 CZ TYR A 32 -11.229 10.108 3.066 1.00 0.00 C ATOM 478 OH TYR A 32 -11.930 10.009 1.883 1.00 0.00 O ATOM 0 H TYR A 32 -8.293 7.712 6.052 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.587 9.311 8.561 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.590 11.171 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.076 10.892 6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.476 8.849 4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.305 11.760 6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.737 8.664 2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.558 11.574 3.909 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.802 9.116 1.501 1.00 0.00 H new ATOM 488 N HIS A 33 -10.058 7.015 7.792 1.00 0.00 N ATOM 489 CA HIS A 33 -11.240 6.097 7.879 1.00 0.00 C ATOM 490 C HIS A 33 -12.037 6.089 6.559 1.00 0.00 C ATOM 491 O HIS A 33 -13.085 5.477 6.474 1.00 0.00 O ATOM 492 CB HIS A 33 -12.099 6.626 9.035 1.00 0.00 C ATOM 493 CG HIS A 33 -11.328 6.552 10.327 1.00 0.00 C ATOM 494 ND1 HIS A 33 -11.362 5.434 11.145 1.00 0.00 N ATOM 495 CD2 HIS A 33 -10.502 7.451 10.954 1.00 0.00 C ATOM 496 CE1 HIS A 33 -10.579 5.688 12.209 1.00 0.00 C ATOM 497 NE2 HIS A 33 -10.031 6.904 12.143 1.00 0.00 N ATOM 0 H HIS A 33 -9.157 6.546 7.883 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.928 5.067 8.053 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -12.395 7.656 8.837 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -13.015 6.041 9.115 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.255 8.434 10.581 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.414 4.993 13.019 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.402 7.338 12.819 1.00 0.00 H new ATOM 505 N SER A 34 -11.545 6.759 5.532 1.00 0.00 N ATOM 506 CA SER A 34 -12.256 6.803 4.214 1.00 0.00 C ATOM 507 C SER A 34 -13.735 7.201 4.390 1.00 0.00 C ATOM 508 O SER A 34 -14.616 6.360 4.411 1.00 0.00 O ATOM 509 CB SER A 34 -12.132 5.390 3.640 1.00 0.00 C ATOM 510 OG SER A 34 -10.951 5.297 2.858 1.00 0.00 O ATOM 0 H SER A 34 -10.670 7.282 5.558 1.00 0.00 H new ATOM 0 HA SER A 34 -11.822 7.550 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.104 4.659 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.004 5.157 3.029 1.00 0.00 H new ATOM 0 HG SER A 34 -10.871 4.391 2.492 1.00 0.00 H new ATOM 516 N GLN A 35 -14.014 8.477 4.519 1.00 0.00 N ATOM 517 CA GLN A 35 -15.435 8.929 4.696 1.00 0.00 C ATOM 518 C GLN A 35 -16.051 9.360 3.359 1.00 0.00 C ATOM 519 O GLN A 35 -17.245 9.246 3.162 1.00 0.00 O ATOM 520 CB GLN A 35 -15.371 10.130 5.647 1.00 0.00 C ATOM 521 CG GLN A 35 -14.813 9.709 7.011 1.00 0.00 C ATOM 522 CD GLN A 35 -15.480 8.423 7.495 1.00 0.00 C ATOM 523 OE1 GLN A 35 -16.669 8.388 7.737 1.00 0.00 O ATOM 524 NE2 GLN A 35 -14.753 7.355 7.649 1.00 0.00 N ATOM 0 H GLN A 35 -13.321 9.225 4.510 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.055 8.122 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.742 10.909 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.367 10.556 5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.736 9.560 6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.977 10.505 7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.754 7.384 7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.182 6.488 7.973 1.00 0.00 H new ATOM 533 N VAL A 36 -15.250 9.862 2.445 1.00 0.00 N ATOM 534 CA VAL A 36 -15.781 10.312 1.114 1.00 0.00 C ATOM 535 C VAL A 36 -16.842 11.413 1.296 1.00 0.00 C ATOM 536 O VAL A 36 -17.989 11.254 0.919 1.00 0.00 O ATOM 537 CB VAL A 36 -16.389 9.057 0.463 1.00 0.00 C ATOM 538 CG1 VAL A 36 -16.781 9.322 -0.995 1.00 0.00 C ATOM 539 CG2 VAL A 36 -15.455 7.843 0.473 1.00 0.00 C ATOM 0 H VAL A 36 -14.244 9.980 2.565 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.997 10.741 0.490 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.264 8.828 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.207 8.417 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.518 10.124 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.897 9.613 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.952 6.997 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.543 8.081 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.205 7.585 1.502 1.00 0.00 H new ATOM 549 N ALA A 37 -16.451 12.533 1.868 1.00 0.00 N ATOM 550 CA ALA A 37 -17.405 13.672 2.084 1.00 0.00 C ATOM 551 C ALA A 37 -18.716 13.187 2.728 1.00 0.00 C ATOM 552 O ALA A 37 -19.788 13.329 2.168 1.00 0.00 O ATOM 553 CB ALA A 37 -17.660 14.252 0.688 1.00 0.00 C ATOM 0 H ALA A 37 -15.501 12.707 2.197 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.995 14.417 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.351 15.092 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.718 14.594 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.093 13.483 0.048 1.00 0.00 H new ATOM 559 N PHE A 38 -18.632 12.605 3.898 1.00 0.00 N ATOM 560 CA PHE A 38 -19.866 12.095 4.581 1.00 0.00 C ATOM 561 C PHE A 38 -20.533 13.181 5.463 1.00 0.00 C ATOM 562 O PHE A 38 -20.597 14.334 5.079 1.00 0.00 O ATOM 563 CB PHE A 38 -19.408 10.859 5.386 1.00 0.00 C ATOM 564 CG PHE A 38 -18.696 11.203 6.684 1.00 0.00 C ATOM 565 CD1 PHE A 38 -17.869 12.332 6.789 1.00 0.00 C ATOM 566 CD2 PHE A 38 -18.855 10.355 7.789 1.00 0.00 C ATOM 567 CE1 PHE A 38 -17.208 12.601 7.986 1.00 0.00 C ATOM 568 CE2 PHE A 38 -18.195 10.634 8.986 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.371 11.756 9.082 1.00 0.00 C ATOM 0 H PHE A 38 -17.763 12.460 4.412 1.00 0.00 H new ATOM 0 HA PHE A 38 -20.642 11.824 3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -20.277 10.241 5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -18.743 10.259 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.745 12.992 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -19.489 9.484 7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.567 13.467 8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.322 9.982 9.838 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.858 11.970 10.008 1.00 0.00 H new ATOM 579 N ILE A 39 -21.079 12.814 6.606 1.00 0.00 N ATOM 580 CA ILE A 39 -21.802 13.812 7.476 1.00 0.00 C ATOM 581 C ILE A 39 -20.907 14.965 7.971 1.00 0.00 C ATOM 582 O ILE A 39 -21.344 16.100 8.006 1.00 0.00 O ATOM 583 CB ILE A 39 -22.353 13.008 8.670 1.00 0.00 C ATOM 584 CG1 ILE A 39 -21.247 12.175 9.333 1.00 0.00 C ATOM 585 CG2 ILE A 39 -23.461 12.073 8.182 1.00 0.00 C ATOM 586 CD1 ILE A 39 -21.551 12.019 10.825 1.00 0.00 C ATOM 0 H ILE A 39 -21.055 11.864 6.976 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.587 14.298 6.896 1.00 0.00 H new ATOM 0 HB ILE A 39 -22.746 13.710 9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.182 11.195 8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.280 12.660 9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -23.853 11.503 9.024 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.264 12.661 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.057 11.388 7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.766 11.428 11.296 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -21.594 13.003 11.292 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -22.510 11.515 10.950 1.00 0.00 H new ATOM 598 N THR A 40 -19.684 14.709 8.365 1.00 0.00 N ATOM 599 CA THR A 40 -18.818 15.826 8.859 1.00 0.00 C ATOM 600 C THR A 40 -17.810 16.236 7.784 1.00 0.00 C ATOM 601 O THR A 40 -17.280 15.409 7.065 1.00 0.00 O ATOM 602 CB THR A 40 -18.101 15.265 10.096 1.00 0.00 C ATOM 603 OG1 THR A 40 -19.057 14.679 10.972 1.00 0.00 O ATOM 604 CG2 THR A 40 -17.359 16.390 10.829 1.00 0.00 C ATOM 0 H THR A 40 -19.251 13.786 8.367 1.00 0.00 H new ATOM 0 HA THR A 40 -19.397 16.718 9.099 1.00 0.00 H new ATOM 0 HB THR A 40 -17.381 14.510 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.723 13.814 11.290 1.00 0.00 H new ATOM 0 HG21 THR A 40 -16.854 15.982 11.705 1.00 0.00 H new ATOM 0 HG22 THR A 40 -16.623 16.836 10.160 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.072 17.152 11.144 1.00 0.00 H new ATOM 612 N LYS A 41 -17.540 17.512 7.669 1.00 0.00 N ATOM 613 CA LYS A 41 -16.564 17.984 6.639 1.00 0.00 C ATOM 614 C LYS A 41 -15.127 17.640 7.043 1.00 0.00 C ATOM 615 O LYS A 41 -14.219 17.724 6.237 1.00 0.00 O ATOM 616 CB LYS A 41 -16.782 19.493 6.536 1.00 0.00 C ATOM 617 CG LYS A 41 -18.154 19.750 5.895 1.00 0.00 C ATOM 618 CD LYS A 41 -18.207 19.115 4.496 1.00 0.00 C ATOM 619 CE LYS A 41 -18.699 17.662 4.598 1.00 0.00 C ATOM 620 NZ LYS A 41 -17.795 16.886 3.694 1.00 0.00 N ATOM 0 H LYS A 41 -17.953 18.247 8.243 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.719 17.497 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.735 19.950 7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.994 19.949 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.942 19.333 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.336 20.822 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.873 19.689 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.219 19.142 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.641 17.296 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.740 17.574 4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.655 15.931 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.224 16.818 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.877 17.369 3.623 1.00 0.00 H new ATOM 634 N GLY A 42 -14.916 17.213 8.267 1.00 0.00 N ATOM 635 CA GLY A 42 -13.544 16.821 8.691 1.00 0.00 C ATOM 636 C GLY A 42 -13.200 15.457 8.065 1.00 0.00 C ATOM 637 O GLY A 42 -12.088 14.990 8.175 1.00 0.00 O ATOM 0 H GLY A 42 -15.635 17.121 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.822 17.574 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.488 16.762 9.778 1.00 0.00 H new ATOM 641 N LEU A 43 -14.150 14.824 7.399 1.00 0.00 N ATOM 642 CA LEU A 43 -13.898 13.496 6.749 1.00 0.00 C ATOM 643 C LEU A 43 -13.605 12.415 7.797 1.00 0.00 C ATOM 644 O LEU A 43 -12.761 11.562 7.604 1.00 0.00 O ATOM 645 CB LEU A 43 -12.693 13.700 5.827 1.00 0.00 C ATOM 646 CG LEU A 43 -12.926 14.904 4.910 1.00 0.00 C ATOM 647 CD1 LEU A 43 -11.621 15.050 4.125 1.00 0.00 C ATOM 648 CD2 LEU A 43 -14.184 14.688 4.064 1.00 0.00 C ATOM 0 H LEU A 43 -15.098 15.180 7.280 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.773 13.157 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.793 13.856 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.528 12.804 5.228 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.132 15.837 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.701 15.894 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.797 15.222 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.434 14.138 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.339 15.551 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.063 13.793 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.047 14.566 4.719 1.00 0.00 H new ATOM 660 N GLY A 44 -14.313 12.442 8.896 1.00 0.00 N ATOM 661 CA GLY A 44 -14.108 11.411 9.962 1.00 0.00 C ATOM 662 C GLY A 44 -12.651 11.388 10.437 1.00 0.00 C ATOM 663 O GLY A 44 -12.155 10.365 10.871 1.00 0.00 O ATOM 0 H GLY A 44 -15.029 13.138 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.765 11.621 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.384 10.428 9.579 1.00 0.00 H new ATOM 667 N ILE A 45 -11.959 12.498 10.357 1.00 0.00 N ATOM 668 CA ILE A 45 -10.530 12.519 10.811 1.00 0.00 C ATOM 669 C ILE A 45 -10.446 12.323 12.334 1.00 0.00 C ATOM 670 O ILE A 45 -9.789 11.413 12.803 1.00 0.00 O ATOM 671 CB ILE A 45 -9.942 13.883 10.396 1.00 0.00 C ATOM 672 CG1 ILE A 45 -10.903 15.034 10.738 1.00 0.00 C ATOM 673 CG2 ILE A 45 -9.662 13.875 8.890 1.00 0.00 C ATOM 674 CD1 ILE A 45 -10.305 15.888 11.859 1.00 0.00 C ATOM 0 H ILE A 45 -12.316 13.384 10.000 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.965 11.707 10.354 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.016 14.042 10.949 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.080 15.648 9.855 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.869 14.635 11.047 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.246 14.838 8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.949 13.084 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.591 13.698 8.348 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.988 16.703 12.099 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.151 15.271 12.744 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.350 16.299 11.533 1.00 0.00 H new ATOM 686 N SER A 46 -11.109 13.158 13.108 1.00 0.00 N ATOM 687 CA SER A 46 -11.061 13.004 14.600 1.00 0.00 C ATOM 688 C SER A 46 -11.991 14.012 15.304 1.00 0.00 C ATOM 689 O SER A 46 -11.735 14.407 16.427 1.00 0.00 O ATOM 690 CB SER A 46 -9.602 13.280 14.983 1.00 0.00 C ATOM 691 OG SER A 46 -9.321 12.687 16.242 1.00 0.00 O ATOM 0 H SER A 46 -11.678 13.935 12.771 1.00 0.00 H new ATOM 0 HA SER A 46 -11.396 12.012 14.905 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.933 12.877 14.222 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.424 14.354 15.028 1.00 0.00 H new ATOM 0 HG SER A 46 -9.998 12.966 16.894 1.00 0.00 H new ATOM 697 N TYR A 47 -13.069 14.425 14.675 1.00 0.00 N ATOM 698 CA TYR A 47 -13.997 15.396 15.345 1.00 0.00 C ATOM 699 C TYR A 47 -14.884 14.683 16.381 1.00 0.00 C ATOM 700 O TYR A 47 -15.562 15.321 17.164 1.00 0.00 O ATOM 701 CB TYR A 47 -14.858 15.987 14.219 1.00 0.00 C ATOM 702 CG TYR A 47 -15.727 14.917 13.593 1.00 0.00 C ATOM 703 CD1 TYR A 47 -16.896 14.487 14.236 1.00 0.00 C ATOM 704 CD2 TYR A 47 -15.367 14.362 12.363 1.00 0.00 C ATOM 705 CE1 TYR A 47 -17.696 13.505 13.649 1.00 0.00 C ATOM 706 CE2 TYR A 47 -16.164 13.382 11.778 1.00 0.00 C ATOM 707 CZ TYR A 47 -17.332 12.951 12.420 1.00 0.00 C ATOM 708 OH TYR A 47 -18.127 11.984 11.842 1.00 0.00 O ATOM 0 H TYR A 47 -13.344 14.135 13.737 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.446 16.167 15.883 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -15.485 16.786 14.615 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.216 16.432 13.459 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -17.178 14.916 15.186 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -14.468 14.694 11.865 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -18.596 13.174 14.145 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -15.881 12.953 10.828 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.153 12.119 10.872 1.00 0.00 H new ATOM 718 N GLY A 48 -14.900 13.370 16.373 1.00 0.00 N ATOM 719 CA GLY A 48 -15.757 12.617 17.332 1.00 0.00 C ATOM 720 C GLY A 48 -16.883 11.960 16.535 1.00 0.00 C ATOM 721 O GLY A 48 -18.032 12.352 16.627 1.00 0.00 O ATOM 0 H GLY A 48 -14.352 12.789 15.738 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.171 11.863 17.858 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.165 13.288 18.088 1.00 0.00 H new ATOM 725 N ARG A 49 -16.555 10.971 15.741 1.00 0.00 N ATOM 726 CA ARG A 49 -17.581 10.284 14.919 1.00 0.00 C ATOM 727 C ARG A 49 -18.483 9.429 15.804 1.00 0.00 C ATOM 728 O ARG A 49 -18.142 9.081 16.920 1.00 0.00 O ATOM 729 CB ARG A 49 -16.796 9.390 13.960 1.00 0.00 C ATOM 730 CG ARG A 49 -15.830 10.224 13.116 1.00 0.00 C ATOM 731 CD ARG A 49 -14.961 9.285 12.281 1.00 0.00 C ATOM 732 NE ARG A 49 -15.890 8.773 11.232 1.00 0.00 N ATOM 733 CZ ARG A 49 -15.909 7.499 10.933 1.00 0.00 C ATOM 734 NH1 ARG A 49 -14.788 6.858 10.724 1.00 0.00 N ATOM 735 NH2 ARG A 49 -17.051 6.867 10.846 1.00 0.00 N ATOM 0 H ARG A 49 -15.607 10.611 15.631 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.219 10.993 14.392 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.241 8.641 14.525 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.485 8.852 13.309 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.385 10.900 12.466 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.205 10.842 13.760 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.113 9.811 11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.555 8.474 12.885 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.513 9.418 10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.898 7.351 10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.804 5.865 10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.925 7.367 11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.068 5.874 10.613 1.00 0.00 H new ATOM 749 N LYS A 50 -19.622 9.087 15.295 1.00 0.00 N ATOM 750 CA LYS A 50 -20.583 8.242 16.055 1.00 0.00 C ATOM 751 C LYS A 50 -20.867 6.952 15.276 1.00 0.00 C ATOM 752 O LYS A 50 -21.184 5.931 15.856 1.00 0.00 O ATOM 753 CB LYS A 50 -21.857 9.097 16.186 1.00 0.00 C ATOM 754 CG LYS A 50 -22.352 9.561 14.803 1.00 0.00 C ATOM 755 CD LYS A 50 -21.667 10.879 14.416 1.00 0.00 C ATOM 756 CE LYS A 50 -22.666 12.036 14.487 1.00 0.00 C ATOM 757 NZ LYS A 50 -22.867 12.273 15.947 1.00 0.00 N ATOM 0 H LYS A 50 -19.939 9.360 14.365 1.00 0.00 H new ATOM 0 HA LYS A 50 -20.199 7.947 17.032 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -22.638 8.520 16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.655 9.964 16.814 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -22.138 8.797 14.056 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.434 9.695 14.821 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.829 11.072 15.085 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.259 10.803 13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -22.278 12.926 13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -23.604 11.780 13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -23.373 13.171 16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -23.426 11.495 16.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.943 12.319 16.422 1.00 0.00 H new ATOM 771 N LYS A 51 -20.741 7.015 13.964 1.00 0.00 N ATOM 772 CA LYS A 51 -20.991 5.835 13.061 1.00 0.00 C ATOM 773 C LYS A 51 -21.409 6.344 11.682 1.00 0.00 C ATOM 774 O LYS A 51 -21.308 7.521 11.387 1.00 0.00 O ATOM 775 CB LYS A 51 -22.162 5.023 13.649 1.00 0.00 C ATOM 776 CG LYS A 51 -23.303 5.951 14.091 1.00 0.00 C ATOM 777 CD LYS A 51 -24.592 5.577 13.356 1.00 0.00 C ATOM 778 CE LYS A 51 -25.180 6.828 12.703 1.00 0.00 C ATOM 779 NZ LYS A 51 -26.567 6.432 12.323 1.00 0.00 N ATOM 0 H LYS A 51 -20.467 7.863 13.468 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.092 5.224 12.980 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.530 4.316 12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.813 4.438 14.500 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.452 5.871 15.168 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.042 6.988 13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.387 4.820 12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -25.310 5.145 14.053 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.183 7.672 13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.600 7.131 11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.190 7.263 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.567 6.053 11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.912 5.704 12.980 1.00 0.00 H new ATOM 793 N ARG A 52 -21.911 5.470 10.851 1.00 0.00 N ATOM 794 CA ARG A 52 -22.373 5.903 9.511 1.00 0.00 C ATOM 795 C ARG A 52 -23.790 6.456 9.620 1.00 0.00 C ATOM 796 O ARG A 52 -24.757 5.715 9.616 1.00 0.00 O ATOM 797 CB ARG A 52 -22.357 4.642 8.646 1.00 0.00 C ATOM 798 CG ARG A 52 -20.914 4.308 8.272 1.00 0.00 C ATOM 799 CD ARG A 52 -20.407 3.154 9.131 1.00 0.00 C ATOM 800 NE ARG A 52 -21.327 2.020 8.825 1.00 0.00 N ATOM 801 CZ ARG A 52 -20.951 1.067 8.014 1.00 0.00 C ATOM 802 NH1 ARG A 52 -19.864 0.382 8.263 1.00 0.00 N ATOM 803 NH2 ARG A 52 -21.665 0.796 6.953 1.00 0.00 N ATOM 0 H ARG A 52 -22.019 4.475 11.047 1.00 0.00 H new ATOM 0 HA ARG A 52 -21.744 6.685 9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -22.807 3.810 9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -22.952 4.796 7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.856 4.040 7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.281 5.184 8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.375 2.903 8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.431 3.409 10.191 1.00 0.00 H new ATOM 0 HE ARG A 52 -22.253 1.989 9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.308 0.591 9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.573 -0.361 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -22.514 1.328 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.374 0.053 6.318 1.00 0.00 H new ATOM 817 N ARG A 53 -23.924 7.758 9.701 1.00 0.00 N ATOM 818 CA ARG A 53 -25.289 8.363 9.783 1.00 0.00 C ATOM 819 C ARG A 53 -26.066 8.059 8.491 1.00 0.00 C ATOM 820 O ARG A 53 -27.247 8.325 8.393 1.00 0.00 O ATOM 821 CB ARG A 53 -25.056 9.868 9.932 1.00 0.00 C ATOM 822 CG ARG A 53 -26.299 10.527 10.536 1.00 0.00 C ATOM 823 CD ARG A 53 -27.145 11.154 9.423 1.00 0.00 C ATOM 824 NE ARG A 53 -28.440 11.474 10.092 1.00 0.00 N ATOM 825 CZ ARG A 53 -29.515 10.782 9.815 1.00 0.00 C ATOM 826 NH1 ARG A 53 -29.533 9.489 10.016 1.00 0.00 N ATOM 827 NH2 ARG A 53 -30.574 11.384 9.342 1.00 0.00 N ATOM 0 H ARG A 53 -23.151 8.424 9.714 1.00 0.00 H new ATOM 0 HA ARG A 53 -25.872 7.966 10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -24.191 10.050 10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -24.835 10.309 8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -26.887 9.787 11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -26.004 11.291 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -26.673 12.049 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -27.285 10.464 8.591 1.00 0.00 H new ATOM 0 HE ARG A 53 -28.487 12.236 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -28.708 9.019 10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -30.372 8.951 9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -30.562 12.392 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -31.413 10.845 9.126 1.00 0.00 H new ATOM 841 N GLN A 54 -25.406 7.486 7.509 1.00 0.00 N ATOM 842 CA GLN A 54 -26.087 7.146 6.223 1.00 0.00 C ATOM 843 C GLN A 54 -27.157 6.078 6.466 1.00 0.00 C ATOM 844 O GLN A 54 -28.244 6.146 5.925 1.00 0.00 O ATOM 845 CB GLN A 54 -24.989 6.588 5.301 1.00 0.00 C ATOM 846 CG GLN A 54 -23.718 7.452 5.366 1.00 0.00 C ATOM 847 CD GLN A 54 -22.541 6.620 5.883 1.00 0.00 C ATOM 848 OE1 GLN A 54 -22.348 5.493 5.473 1.00 0.00 O ATOM 849 NE2 GLN A 54 -21.736 7.137 6.771 1.00 0.00 N ATOM 0 H GLN A 54 -24.417 7.239 7.547 1.00 0.00 H new ATOM 0 HA GLN A 54 -26.578 8.015 5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -24.752 5.565 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -25.355 6.552 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -23.487 7.847 4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -23.884 8.308 6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.897 8.083 7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.946 6.595 7.120 1.00 0.00 H new ATOM 858 N ARG A 55 -26.844 5.089 7.278 1.00 0.00 N ATOM 859 CA ARG A 55 -27.820 3.990 7.574 1.00 0.00 C ATOM 860 C ARG A 55 -28.237 3.270 6.280 1.00 0.00 C ATOM 861 O ARG A 55 -29.322 2.730 6.180 1.00 0.00 O ATOM 862 CB ARG A 55 -29.022 4.676 8.235 1.00 0.00 C ATOM 863 CG ARG A 55 -28.600 5.252 9.592 1.00 0.00 C ATOM 864 CD ARG A 55 -29.700 6.177 10.125 1.00 0.00 C ATOM 865 NE ARG A 55 -30.838 5.263 10.444 1.00 0.00 N ATOM 866 CZ ARG A 55 -32.008 5.758 10.758 1.00 0.00 C ATOM 867 NH1 ARG A 55 -32.624 6.563 9.929 1.00 0.00 N ATOM 868 NH2 ARG A 55 -32.562 5.448 11.902 1.00 0.00 N ATOM 0 H ARG A 55 -25.945 4.998 7.751 1.00 0.00 H new ATOM 0 HA ARG A 55 -27.388 3.229 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -29.399 5.471 7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -29.834 3.961 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -28.417 4.444 10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -27.666 5.804 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -29.367 6.720 11.010 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -29.986 6.922 9.383 1.00 0.00 H new ATOM 0 HE ARG A 55 -30.703 4.252 10.417 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -32.192 6.805 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -33.536 6.948 10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -32.082 4.821 12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -33.474 5.833 12.148 1.00 0.00 H new ATOM 882 N ARG A 56 -27.371 3.257 5.291 1.00 0.00 N ATOM 883 CA ARG A 56 -27.694 2.574 4.001 1.00 0.00 C ATOM 884 C ARG A 56 -26.416 2.353 3.177 1.00 0.00 C ATOM 885 O ARG A 56 -26.425 2.441 1.964 1.00 0.00 O ATOM 886 CB ARG A 56 -28.652 3.521 3.273 1.00 0.00 C ATOM 887 CG ARG A 56 -27.886 4.748 2.776 1.00 0.00 C ATOM 888 CD ARG A 56 -28.800 5.968 2.813 1.00 0.00 C ATOM 889 NE ARG A 56 -28.304 6.824 1.702 1.00 0.00 N ATOM 890 CZ ARG A 56 -28.612 8.092 1.665 1.00 0.00 C ATOM 891 NH1 ARG A 56 -29.777 8.466 1.206 1.00 0.00 N ATOM 892 NH2 ARG A 56 -27.757 8.984 2.091 1.00 0.00 N ATOM 0 H ARG A 56 -26.450 3.694 5.326 1.00 0.00 H new ATOM 0 HA ARG A 56 -28.139 1.592 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -29.118 3.007 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -29.454 3.828 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -27.008 4.919 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -27.528 4.579 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -29.844 5.689 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -28.739 6.483 3.772 1.00 0.00 H new ATOM 0 HE ARG A 56 -27.722 6.420 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -30.444 7.768 0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -30.019 9.456 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -26.850 8.689 2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -27.997 9.975 2.062 1.00 0.00 H new ATOM 906 N ARG A 57 -25.320 2.063 3.833 1.00 0.00 N ATOM 907 CA ARG A 57 -24.039 1.830 3.098 1.00 0.00 C ATOM 908 C ARG A 57 -24.185 0.688 2.075 1.00 0.00 C ATOM 909 O ARG A 57 -23.715 0.814 0.961 1.00 0.00 O ATOM 910 CB ARG A 57 -23.012 1.467 4.174 1.00 0.00 C ATOM 911 CG ARG A 57 -21.600 1.629 3.607 1.00 0.00 C ATOM 912 CD ARG A 57 -21.275 3.117 3.460 1.00 0.00 C ATOM 913 NE ARG A 57 -19.809 3.202 3.721 1.00 0.00 N ATOM 914 CZ ARG A 57 -19.369 3.429 4.931 1.00 0.00 C ATOM 915 NH1 ARG A 57 -19.239 4.659 5.358 1.00 0.00 N ATOM 916 NH2 ARG A 57 -19.059 2.428 5.714 1.00 0.00 N ATOM 0 H ARG A 57 -25.257 1.977 4.847 1.00 0.00 H new ATOM 0 HA ARG A 57 -23.738 2.711 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.141 2.108 5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -23.166 0.441 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -20.875 1.151 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -21.526 1.133 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -21.523 3.482 2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -21.841 3.720 4.170 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.148 3.083 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.481 5.439 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.896 4.838 6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.160 1.469 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.716 2.606 6.658 1.00 0.00 H new ATOM 930 N PRO A 58 -24.833 -0.395 2.474 1.00 0.00 N ATOM 931 CA PRO A 58 -25.021 -1.544 1.549 1.00 0.00 C ATOM 932 C PRO A 58 -26.010 -1.194 0.423 1.00 0.00 C ATOM 933 O PRO A 58 -26.003 -1.817 -0.623 1.00 0.00 O ATOM 934 CB PRO A 58 -25.577 -2.647 2.444 1.00 0.00 C ATOM 935 CG PRO A 58 -26.224 -1.921 3.579 1.00 0.00 C ATOM 936 CD PRO A 58 -25.438 -0.652 3.793 1.00 0.00 C ATOM 0 HA PRO A 58 -24.097 -1.835 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -26.296 -3.267 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -24.785 -3.308 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -27.266 -1.696 3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -26.221 -2.533 4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -26.081 0.170 4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -24.679 -0.776 4.565 1.00 0.00 H new ATOM 944 N SER A 59 -26.854 -0.204 0.620 1.00 0.00 N ATOM 945 CA SER A 59 -27.827 0.179 -0.448 1.00 0.00 C ATOM 946 C SER A 59 -27.255 1.326 -1.289 1.00 0.00 C ATOM 947 O SER A 59 -26.537 2.169 -0.787 1.00 0.00 O ATOM 948 CB SER A 59 -29.084 0.633 0.297 1.00 0.00 C ATOM 949 OG SER A 59 -29.776 -0.501 0.797 1.00 0.00 O ATOM 0 H SER A 59 -26.908 0.352 1.474 1.00 0.00 H new ATOM 0 HA SER A 59 -28.039 -0.645 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 59 -28.813 1.297 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 59 -29.731 1.201 -0.372 1.00 0.00 H new ATOM 0 HG SER A 59 -30.580 -0.209 1.275 1.00 0.00 H new ATOM 955 N GLN A 60 -27.568 1.364 -2.562 1.00 0.00 N ATOM 956 CA GLN A 60 -27.037 2.460 -3.431 1.00 0.00 C ATOM 957 C GLN A 60 -28.002 2.767 -4.591 1.00 0.00 C ATOM 958 O GLN A 60 -28.299 3.912 -4.869 1.00 0.00 O ATOM 959 CB GLN A 60 -25.660 1.969 -3.928 1.00 0.00 C ATOM 960 CG GLN A 60 -25.777 0.910 -5.031 1.00 0.00 C ATOM 961 CD GLN A 60 -26.227 -0.441 -4.455 1.00 0.00 C ATOM 962 OE1 GLN A 60 -26.977 -1.158 -5.088 1.00 0.00 O ATOM 963 NE2 GLN A 60 -25.806 -0.823 -3.281 1.00 0.00 N ATOM 0 H GLN A 60 -28.166 0.686 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 60 -26.938 3.399 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -25.089 2.818 -4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -25.101 1.555 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.490 1.243 -5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -24.816 0.794 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -25.176 -0.225 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -26.106 -1.720 -2.898 1.00 0.00 H new ATOM 972 N GLY A 61 -28.470 1.757 -5.277 1.00 0.00 N ATOM 973 CA GLY A 61 -29.386 1.968 -6.429 1.00 0.00 C ATOM 974 C GLY A 61 -28.502 2.152 -7.647 1.00 0.00 C ATOM 975 O GLY A 61 -28.659 3.090 -8.407 1.00 0.00 O ATOM 0 H GLY A 61 -28.250 0.780 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -30.052 1.115 -6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.016 2.843 -6.270 1.00 0.00 H new ATOM 979 N GLY A 62 -27.534 1.279 -7.804 1.00 0.00 N ATOM 980 CA GLY A 62 -26.582 1.415 -8.932 1.00 0.00 C ATOM 981 C GLY A 62 -25.949 2.804 -8.825 1.00 0.00 C ATOM 982 O GLY A 62 -25.626 3.420 -9.822 1.00 0.00 O ATOM 0 H GLY A 62 -27.369 0.479 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -25.818 0.639 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -27.097 1.299 -9.886 1.00 0.00 H new ATOM 986 N GLN A 63 -25.788 3.317 -7.618 1.00 0.00 N ATOM 987 CA GLN A 63 -25.202 4.669 -7.472 1.00 0.00 C ATOM 988 C GLN A 63 -23.676 4.619 -7.507 1.00 0.00 C ATOM 989 O GLN A 63 -23.023 5.637 -7.435 1.00 0.00 O ATOM 990 CB GLN A 63 -25.671 5.168 -6.110 1.00 0.00 C ATOM 991 CG GLN A 63 -25.180 6.598 -5.890 1.00 0.00 C ATOM 992 CD GLN A 63 -26.367 7.561 -5.880 1.00 0.00 C ATOM 993 OE1 GLN A 63 -27.018 7.736 -4.869 1.00 0.00 O ATOM 994 NE2 GLN A 63 -26.676 8.199 -6.975 1.00 0.00 N ATOM 0 H GLN A 63 -26.039 2.852 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 63 -25.514 5.322 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -26.759 5.134 -6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -25.291 4.517 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -24.639 6.665 -4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.481 6.877 -6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -26.129 8.051 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.465 8.846 -6.983 1.00 0.00 H new ATOM 1003 N THR A 64 -23.095 3.446 -7.550 1.00 0.00 N ATOM 1004 CA THR A 64 -21.608 3.358 -7.502 1.00 0.00 C ATOM 1005 C THR A 64 -21.191 3.942 -6.150 1.00 0.00 C ATOM 1006 O THR A 64 -20.361 4.824 -6.054 1.00 0.00 O ATOM 1007 CB THR A 64 -21.076 4.191 -8.671 1.00 0.00 C ATOM 1008 OG1 THR A 64 -21.819 3.905 -9.850 1.00 0.00 O ATOM 1009 CG2 THR A 64 -19.602 3.859 -8.901 1.00 0.00 C ATOM 0 H THR A 64 -23.584 2.553 -7.616 1.00 0.00 H new ATOM 0 HA THR A 64 -21.219 2.344 -7.592 1.00 0.00 H new ATOM 0 HB THR A 64 -21.180 5.250 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.852 2.935 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.221 4.451 -9.733 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.032 4.090 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.500 2.799 -9.133 1.00 0.00 H new ATOM 1017 N HIS A 65 -21.828 3.453 -5.111 1.00 0.00 N ATOM 1018 CA HIS A 65 -21.585 3.942 -3.717 1.00 0.00 C ATOM 1019 C HIS A 65 -20.233 3.462 -3.134 1.00 0.00 C ATOM 1020 O HIS A 65 -20.019 3.546 -1.940 1.00 0.00 O ATOM 1021 CB HIS A 65 -22.760 3.350 -2.932 1.00 0.00 C ATOM 1022 CG HIS A 65 -23.835 4.372 -2.684 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -24.997 4.056 -2.006 1.00 0.00 N ATOM 1024 CD2 HIS A 65 -23.961 5.685 -3.038 1.00 0.00 C ATOM 1025 CE1 HIS A 65 -25.769 5.156 -1.985 1.00 0.00 C ATOM 1026 NE2 HIS A 65 -25.183 6.181 -2.599 1.00 0.00 N ATOM 0 H HIS A 65 -22.527 2.713 -5.176 1.00 0.00 H new ATOM 0 HA HIS A 65 -21.525 5.029 -3.672 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -23.179 2.508 -3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -22.402 2.960 -1.979 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -25.227 3.151 -1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -23.220 6.254 -3.579 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -26.745 5.202 -1.526 1.00 0.00 H new ATOM 1034 N GLN A 66 -19.310 3.019 -3.972 1.00 0.00 N ATOM 1035 CA GLN A 66 -17.940 2.585 -3.514 1.00 0.00 C ATOM 1036 C GLN A 66 -17.949 1.371 -2.571 1.00 0.00 C ATOM 1037 O GLN A 66 -17.386 0.346 -2.883 1.00 0.00 O ATOM 1038 CB GLN A 66 -17.337 3.800 -2.805 1.00 0.00 C ATOM 1039 CG GLN A 66 -17.053 4.910 -3.819 1.00 0.00 C ATOM 1040 CD GLN A 66 -17.994 6.083 -3.546 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -17.606 7.060 -2.938 1.00 0.00 O ATOM 1042 NE2 GLN A 66 -19.226 6.027 -3.972 1.00 0.00 N ATOM 0 H GLN A 66 -19.455 2.939 -4.978 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.359 2.259 -4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -18.023 4.162 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.415 3.515 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -16.015 5.234 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -17.197 4.539 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -19.552 5.207 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -19.863 6.804 -3.794 1.00 0.00 H new ATOM 1051 N ASP A 67 -18.531 1.493 -1.411 1.00 0.00 N ATOM 1052 CA ASP A 67 -18.517 0.359 -0.430 1.00 0.00 C ATOM 1053 C ASP A 67 -19.492 -0.779 -0.802 1.00 0.00 C ATOM 1054 O ASP A 67 -19.147 -1.937 -0.652 1.00 0.00 O ATOM 1055 CB ASP A 67 -18.926 1.005 0.897 1.00 0.00 C ATOM 1056 CG ASP A 67 -18.953 -0.045 2.014 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -19.967 -0.711 2.153 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -17.961 -0.161 2.714 1.00 0.00 O ATOM 0 H ASP A 67 -19.019 2.331 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 67 -17.537 -0.117 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.226 1.800 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -19.909 1.465 0.797 1.00 0.00 H new ATOM 1063 N PRO A 68 -20.685 -0.435 -1.235 1.00 0.00 N ATOM 1064 CA PRO A 68 -21.690 -1.475 -1.572 1.00 0.00 C ATOM 1065 C PRO A 68 -21.460 -2.099 -2.960 1.00 0.00 C ATOM 1066 O PRO A 68 -21.718 -3.272 -3.157 1.00 0.00 O ATOM 1067 CB PRO A 68 -23.006 -0.716 -1.566 1.00 0.00 C ATOM 1068 CG PRO A 68 -22.637 0.703 -1.870 1.00 0.00 C ATOM 1069 CD PRO A 68 -21.209 0.922 -1.447 1.00 0.00 C ATOM 0 HA PRO A 68 -21.648 -2.307 -0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -23.694 -1.113 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -23.503 -0.796 -0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.753 0.905 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -23.299 1.389 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.643 1.452 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -21.150 1.519 -0.537 1.00 0.00 H new ATOM 1077 N ILE A 69 -21.015 -1.333 -3.931 1.00 0.00 N ATOM 1078 CA ILE A 69 -20.821 -1.907 -5.306 1.00 0.00 C ATOM 1079 C ILE A 69 -19.380 -1.692 -5.834 1.00 0.00 C ATOM 1080 O ILE A 69 -19.193 -1.364 -6.991 1.00 0.00 O ATOM 1081 CB ILE A 69 -21.880 -1.188 -6.194 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -21.356 0.146 -6.760 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -23.142 -0.901 -5.375 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -20.620 0.936 -5.680 1.00 0.00 C ATOM 0 H ILE A 69 -20.780 -0.345 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 69 -20.954 -2.989 -5.311 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.101 -1.856 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.686 -0.046 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -22.188 0.735 -7.146 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -23.877 -0.398 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -23.559 -1.839 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.889 -0.261 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -20.258 1.875 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -21.301 1.146 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.776 0.352 -5.314 1.00 0.00 H new ATOM 1096 N PRO A 70 -18.397 -1.904 -4.982 1.00 0.00 N ATOM 1097 CA PRO A 70 -16.980 -1.731 -5.409 1.00 0.00 C ATOM 1098 C PRO A 70 -16.579 -2.807 -6.424 1.00 0.00 C ATOM 1099 O PRO A 70 -15.549 -2.710 -7.066 1.00 0.00 O ATOM 1100 CB PRO A 70 -16.185 -1.889 -4.117 1.00 0.00 C ATOM 1101 CG PRO A 70 -17.076 -2.708 -3.236 1.00 0.00 C ATOM 1102 CD PRO A 70 -18.492 -2.320 -3.576 1.00 0.00 C ATOM 0 HA PRO A 70 -16.805 -0.773 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.232 -2.388 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -15.960 -0.922 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.915 -3.773 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -16.864 -2.516 -2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.180 -3.156 -3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -18.852 -1.511 -2.940 1.00 0.00 H new ATOM 1110 N LYS A 71 -17.382 -3.827 -6.571 1.00 0.00 N ATOM 1111 CA LYS A 71 -17.052 -4.909 -7.541 1.00 0.00 C ATOM 1112 C LYS A 71 -17.521 -4.525 -8.955 1.00 0.00 C ATOM 1113 O LYS A 71 -16.875 -4.849 -9.933 1.00 0.00 O ATOM 1114 CB LYS A 71 -17.787 -6.163 -7.031 1.00 0.00 C ATOM 1115 CG LYS A 71 -19.295 -5.901 -6.911 1.00 0.00 C ATOM 1116 CD LYS A 71 -19.829 -6.469 -5.595 1.00 0.00 C ATOM 1117 CE LYS A 71 -19.483 -5.519 -4.444 1.00 0.00 C ATOM 1118 NZ LYS A 71 -20.098 -6.155 -3.242 1.00 0.00 N ATOM 0 H LYS A 71 -18.255 -3.957 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.978 -5.082 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.611 -6.995 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.386 -6.455 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.490 -4.830 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -19.818 -6.358 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.909 -6.602 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.397 -7.452 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.405 -5.411 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.887 -4.521 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.909 -5.569 -2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.125 -6.239 -3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.689 -7.101 -3.102 1.00 0.00 H new ATOM 1132 N GLN A 72 -18.643 -3.848 -9.070 1.00 0.00 N ATOM 1133 CA GLN A 72 -19.162 -3.456 -10.417 1.00 0.00 C ATOM 1134 C GLN A 72 -20.332 -2.476 -10.267 1.00 0.00 C ATOM 1135 O GLN A 72 -20.831 -2.272 -9.177 1.00 0.00 O ATOM 1136 CB GLN A 72 -19.656 -4.761 -11.076 1.00 0.00 C ATOM 1137 CG GLN A 72 -19.990 -5.835 -10.023 1.00 0.00 C ATOM 1138 CD GLN A 72 -21.404 -5.631 -9.461 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -22.317 -6.329 -9.851 1.00 0.00 O ATOM 1140 NE2 GLN A 72 -21.633 -4.712 -8.545 1.00 0.00 N ATOM 0 H GLN A 72 -19.221 -3.551 -8.284 1.00 0.00 H new ATOM 0 HA GLN A 72 -18.393 -2.966 -11.014 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -20.540 -4.553 -11.678 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -18.891 -5.140 -11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -19.912 -6.826 -10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -19.263 -5.794 -9.212 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -20.870 -4.122 -8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -22.573 -4.591 -8.168 1.00 0.00 H new ATOM 1149 N PRO A 73 -20.758 -1.918 -11.376 1.00 0.00 N ATOM 1150 CA PRO A 73 -21.909 -0.987 -11.351 1.00 0.00 C ATOM 1151 C PRO A 73 -23.180 -1.783 -11.022 1.00 0.00 C ATOM 1152 O PRO A 73 -23.951 -1.408 -10.159 1.00 0.00 O ATOM 1153 CB PRO A 73 -21.944 -0.416 -12.767 1.00 0.00 C ATOM 1154 CG PRO A 73 -21.268 -1.458 -13.602 1.00 0.00 C ATOM 1155 CD PRO A 73 -20.216 -2.094 -12.732 1.00 0.00 C ATOM 0 HA PRO A 73 -21.834 -0.196 -10.605 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -22.967 -0.241 -13.100 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -21.422 0.539 -12.824 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.985 -2.202 -13.948 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.819 -1.012 -14.489 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.073 -3.147 -12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.248 -1.606 -12.846 1.00 0.00 H new ATOM 1163 N SER A 74 -23.374 -2.905 -11.686 1.00 0.00 N ATOM 1164 CA SER A 74 -24.560 -3.778 -11.413 1.00 0.00 C ATOM 1165 C SER A 74 -25.878 -2.997 -11.501 1.00 0.00 C ATOM 1166 O SER A 74 -26.785 -3.209 -10.716 1.00 0.00 O ATOM 1167 CB SER A 74 -24.329 -4.303 -9.995 1.00 0.00 C ATOM 1168 OG SER A 74 -24.888 -5.604 -9.873 1.00 0.00 O ATOM 0 H SER A 74 -22.750 -3.253 -12.414 1.00 0.00 H new ATOM 0 HA SER A 74 -24.650 -4.578 -12.148 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.262 -4.333 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.785 -3.630 -9.268 1.00 0.00 H new ATOM 0 HG SER A 74 -24.169 -6.269 -9.861 1.00 0.00 H new ATOM 1174 N SER A 75 -25.986 -2.111 -12.459 1.00 0.00 N ATOM 1175 CA SER A 75 -27.242 -1.304 -12.629 1.00 0.00 C ATOM 1176 C SER A 75 -27.048 -0.208 -13.695 1.00 0.00 C ATOM 1177 O SER A 75 -27.995 0.231 -14.314 1.00 0.00 O ATOM 1178 CB SER A 75 -27.510 -0.670 -11.258 1.00 0.00 C ATOM 1179 OG SER A 75 -28.778 -1.095 -10.782 1.00 0.00 O ATOM 0 H SER A 75 -25.253 -1.908 -13.139 1.00 0.00 H new ATOM 0 HA SER A 75 -28.074 -1.925 -12.962 1.00 0.00 H new ATOM 0 HB2 SER A 75 -26.730 -0.957 -10.553 1.00 0.00 H new ATOM 0 HB3 SER A 75 -27.484 0.417 -11.336 1.00 0.00 H new ATOM 0 HG SER A 75 -28.730 -2.038 -10.521 1.00 0.00 H new ATOM 1185 N GLN A 76 -25.831 0.239 -13.906 1.00 0.00 N ATOM 1186 CA GLN A 76 -25.569 1.305 -14.920 1.00 0.00 C ATOM 1187 C GLN A 76 -25.220 0.724 -16.313 1.00 0.00 C ATOM 1188 O GLN A 76 -25.454 1.390 -17.304 1.00 0.00 O ATOM 1189 CB GLN A 76 -24.393 2.093 -14.350 1.00 0.00 C ATOM 1190 CG GLN A 76 -24.778 2.698 -12.994 1.00 0.00 C ATOM 1191 CD GLN A 76 -24.068 1.939 -11.872 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -22.906 2.168 -11.607 1.00 0.00 O ATOM 1193 NE2 GLN A 76 -24.723 1.041 -11.198 1.00 0.00 N ATOM 0 H GLN A 76 -25.003 -0.094 -13.413 1.00 0.00 H new ATOM 0 HA GLN A 76 -26.453 1.921 -15.085 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -23.528 1.440 -14.234 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -24.104 2.884 -15.042 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -24.503 3.752 -12.964 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -25.858 2.646 -12.855 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -25.700 0.848 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -24.260 0.529 -10.447 1.00 0.00 H new ATOM 1202 N PRO A 77 -24.679 -0.489 -16.374 1.00 0.00 N ATOM 1203 CA PRO A 77 -24.338 -1.081 -17.694 1.00 0.00 C ATOM 1204 C PRO A 77 -25.609 -1.555 -18.408 1.00 0.00 C ATOM 1205 O PRO A 77 -25.640 -1.687 -19.617 1.00 0.00 O ATOM 1206 CB PRO A 77 -23.447 -2.271 -17.348 1.00 0.00 C ATOM 1207 CG PRO A 77 -23.838 -2.651 -15.956 1.00 0.00 C ATOM 1208 CD PRO A 77 -24.347 -1.408 -15.272 1.00 0.00 C ATOM 0 HA PRO A 77 -23.850 -0.371 -18.361 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -23.603 -3.097 -18.042 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -22.392 -2.004 -17.403 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -24.608 -3.423 -15.971 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -22.985 -3.063 -15.417 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.221 -1.623 -14.658 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -23.592 -0.980 -14.613 1.00 0.00 H new ATOM 1216 N ARG A 78 -26.652 -1.821 -17.659 1.00 0.00 N ATOM 1217 CA ARG A 78 -27.927 -2.300 -18.268 1.00 0.00 C ATOM 1218 C ARG A 78 -29.103 -1.390 -17.877 1.00 0.00 C ATOM 1219 O ARG A 78 -30.029 -1.205 -18.646 1.00 0.00 O ATOM 1220 CB ARG A 78 -28.122 -3.710 -17.692 1.00 0.00 C ATOM 1221 CG ARG A 78 -28.237 -3.640 -16.161 1.00 0.00 C ATOM 1222 CD ARG A 78 -28.140 -5.048 -15.571 1.00 0.00 C ATOM 1223 NE ARG A 78 -28.320 -4.844 -14.103 1.00 0.00 N ATOM 1224 CZ ARG A 78 -28.258 -5.864 -13.289 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -29.335 -6.562 -13.034 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -27.120 -6.184 -12.729 1.00 0.00 N ATOM 0 H ARG A 78 -26.672 -1.725 -16.644 1.00 0.00 H new ATOM 0 HA ARG A 78 -27.888 -2.294 -19.357 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -29.020 -4.163 -18.112 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -27.283 -4.346 -17.973 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -27.445 -3.010 -15.756 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -29.185 -3.182 -15.879 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -28.909 -5.704 -15.979 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -27.177 -5.508 -15.794 1.00 0.00 H new ATOM 0 HE ARG A 78 -28.491 -3.908 -13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -30.222 -6.310 -13.471 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -29.288 -7.359 -12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -26.282 -5.637 -12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -27.070 -6.980 -12.093 1.00 0.00 H new ATOM 1240 N GLY A 79 -29.081 -0.830 -16.689 1.00 0.00 N ATOM 1241 CA GLY A 79 -30.199 0.053 -16.250 1.00 0.00 C ATOM 1242 C GLY A 79 -29.945 1.483 -16.725 1.00 0.00 C ATOM 1243 O GLY A 79 -29.881 1.749 -17.911 1.00 0.00 O ATOM 0 H GLY A 79 -28.333 -0.950 -16.006 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -31.143 -0.312 -16.654 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -30.287 0.031 -15.164 1.00 0.00 H new ATOM 1247 N ASP A 80 -29.801 2.404 -15.807 1.00 0.00 N ATOM 1248 CA ASP A 80 -29.551 3.826 -16.196 1.00 0.00 C ATOM 1249 C ASP A 80 -28.085 4.011 -16.608 1.00 0.00 C ATOM 1250 O ASP A 80 -27.192 3.846 -15.798 1.00 0.00 O ATOM 1251 CB ASP A 80 -29.867 4.647 -14.942 1.00 0.00 C ATOM 1252 CG ASP A 80 -31.377 4.633 -14.685 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -32.070 5.431 -15.294 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -31.814 3.823 -13.884 1.00 0.00 O ATOM 0 H ASP A 80 -29.846 2.233 -14.802 1.00 0.00 H new ATOM 0 HA ASP A 80 -30.161 4.134 -17.045 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -29.338 4.235 -14.083 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -29.519 5.672 -15.069 1.00 0.00 H new ATOM 1259 N PRO A 81 -27.883 4.356 -17.859 1.00 0.00 N ATOM 1260 CA PRO A 81 -26.508 4.570 -18.378 1.00 0.00 C ATOM 1261 C PRO A 81 -25.891 5.818 -17.736 1.00 0.00 C ATOM 1262 O PRO A 81 -26.270 6.934 -18.046 1.00 0.00 O ATOM 1263 CB PRO A 81 -26.715 4.764 -19.878 1.00 0.00 C ATOM 1264 CG PRO A 81 -28.125 5.249 -19.998 1.00 0.00 C ATOM 1265 CD PRO A 81 -28.903 4.578 -18.896 1.00 0.00 C ATOM 0 HA PRO A 81 -25.828 3.747 -18.157 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -26.010 5.488 -20.286 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.567 3.832 -20.424 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -28.172 6.334 -19.901 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -28.540 4.998 -20.974 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -29.716 5.208 -18.534 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -29.350 3.641 -19.230 1.00 0.00 H new ATOM 1273 N THR A 82 -24.956 5.640 -16.835 1.00 0.00 N ATOM 1274 CA THR A 82 -24.333 6.825 -16.168 1.00 0.00 C ATOM 1275 C THR A 82 -23.260 7.441 -17.067 1.00 0.00 C ATOM 1276 O THR A 82 -23.274 8.628 -17.330 1.00 0.00 O ATOM 1277 CB THR A 82 -23.708 6.315 -14.861 1.00 0.00 C ATOM 1278 OG1 THR A 82 -24.449 5.206 -14.372 1.00 0.00 O ATOM 1279 CG2 THR A 82 -23.734 7.435 -13.820 1.00 0.00 C ATOM 0 H THR A 82 -24.600 4.733 -16.534 1.00 0.00 H new ATOM 0 HA THR A 82 -25.075 7.599 -15.972 1.00 0.00 H new ATOM 0 HB THR A 82 -22.680 6.006 -15.050 1.00 0.00 H new ATOM 0 HG1 THR A 82 -25.118 5.518 -13.727 1.00 0.00 H new ATOM 0 HG21 THR A 82 -23.291 7.078 -12.890 1.00 0.00 H new ATOM 0 HG22 THR A 82 -23.164 8.288 -14.189 1.00 0.00 H new ATOM 0 HG23 THR A 82 -24.765 7.739 -13.638 1.00 0.00 H new ATOM 1287 N GLY A 83 -22.323 6.649 -17.536 1.00 0.00 N ATOM 1288 CA GLY A 83 -21.254 7.210 -18.409 1.00 0.00 C ATOM 1289 C GLY A 83 -20.622 6.111 -19.275 1.00 0.00 C ATOM 1290 O GLY A 83 -21.148 5.767 -20.316 1.00 0.00 O ATOM 0 H GLY A 83 -22.256 5.648 -17.351 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -21.672 7.988 -19.049 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.487 7.681 -17.795 1.00 0.00 H new ATOM 1294 N PRO A 84 -19.488 5.618 -18.831 1.00 0.00 N ATOM 1295 CA PRO A 84 -18.740 4.585 -19.575 1.00 0.00 C ATOM 1296 C PRO A 84 -19.006 3.165 -19.044 1.00 0.00 C ATOM 1297 O PRO A 84 -18.388 2.216 -19.492 1.00 0.00 O ATOM 1298 CB PRO A 84 -17.296 4.989 -19.302 1.00 0.00 C ATOM 1299 CG PRO A 84 -17.333 5.754 -17.997 1.00 0.00 C ATOM 1300 CD PRO A 84 -18.781 5.969 -17.607 1.00 0.00 C ATOM 0 HA PRO A 84 -19.015 4.542 -20.629 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.651 4.114 -19.226 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.902 5.607 -20.109 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.809 5.200 -17.218 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.823 6.712 -18.105 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -19.075 5.334 -16.771 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.973 6.999 -17.308 1.00 0.00 H new ATOM 1308 N LYS A 85 -19.908 3.000 -18.107 1.00 0.00 N ATOM 1309 CA LYS A 85 -20.187 1.627 -17.574 1.00 0.00 C ATOM 1310 C LYS A 85 -21.227 0.905 -18.441 1.00 0.00 C ATOM 1311 O LYS A 85 -21.640 -0.189 -18.124 1.00 0.00 O ATOM 1312 CB LYS A 85 -20.751 1.840 -16.165 1.00 0.00 C ATOM 1313 CG LYS A 85 -22.075 2.591 -16.253 1.00 0.00 C ATOM 1314 CD LYS A 85 -21.977 3.879 -15.438 1.00 0.00 C ATOM 1315 CE LYS A 85 -21.795 3.541 -13.951 1.00 0.00 C ATOM 1316 NZ LYS A 85 -20.662 4.401 -13.504 1.00 0.00 N ATOM 0 H LYS A 85 -20.460 3.750 -17.690 1.00 0.00 H new ATOM 0 HA LYS A 85 -19.286 1.014 -17.573 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -20.898 0.879 -15.672 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -20.041 2.403 -15.559 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -22.308 2.821 -17.293 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -22.886 1.968 -15.875 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.138 4.479 -15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.877 4.477 -15.577 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.701 3.753 -13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.570 2.484 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.819 3.812 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.456 5.112 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.919 4.880 -12.617 1.00 0.00 H new ATOM 1330 N GLU A 86 -21.659 1.505 -19.524 1.00 0.00 N ATOM 1331 CA GLU A 86 -22.684 0.848 -20.391 1.00 0.00 C ATOM 1332 C GLU A 86 -22.072 -0.345 -21.139 1.00 0.00 C ATOM 1333 O GLU A 86 -21.070 -0.154 -21.811 1.00 0.00 O ATOM 1334 CB GLU A 86 -23.121 1.932 -21.381 1.00 0.00 C ATOM 1335 CG GLU A 86 -23.804 3.075 -20.621 1.00 0.00 C ATOM 1336 CD GLU A 86 -24.241 4.160 -21.610 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -25.067 3.866 -22.460 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -23.744 5.269 -21.498 1.00 0.00 O ATOM 1339 OXT GLU A 86 -22.616 -1.430 -21.023 1.00 0.00 O ATOM 0 H GLU A 86 -21.345 2.421 -19.844 1.00 0.00 H new ATOM 0 HA GLU A 86 -23.521 0.460 -19.811 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.257 2.310 -21.927 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -23.805 1.512 -22.118 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -24.668 2.697 -20.075 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -23.120 3.495 -19.884 1.00 0.00 H new TER 1346 GLU A 86