USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=27 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 72 GLN : amide:sc= -5.57! C(o=-4.7!,f=-4.4!) USER MOD Set 1.2: A 74 SER OG : rot 108:sc= 0.84 USER MOD Set 2.1: A 59 SER OG : rot -96:sc= 0.0782 USER MOD Set 2.2: A 63 GLN : amide:sc= -0.693 X(o=-0.61,f=-0.51) USER MOD Set 3.1: A 40 THR OG1 : rot 142:sc= 1.99 USER MOD Set 3.2: A 47 TYR OH : rot 139:sc= -0.56! USER MOD Set 4.1: A 7 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.21) USER MOD Set 4.2: A 37 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 35 GLN : amide:sc= -3.58! C(o=-3.6!,f=-7.1!) USER MOD Set 5.2: A 51 LYS NZ :NH3+ -99:sc=-0.00634 (180deg=-1.11) USER MOD Single : A 1 LEU N :NH3+ 164:sc= -0.208 (180deg=-0.724) USER MOD Single : A 12 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.82) USER MOD Single : A 13 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-4.1!) USER MOD Single : A 16 SER OG : rot -34:sc= 0.132 USER MOD Single : A 17 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 6:sc= 1.1 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -8.75! C(o=-8.7!,f=-13!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.117 USER MOD Single : A 26 HIS : no HE2:sc= -3.02! C(o=-3!,f=-2.8!) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= -0.0148 (180deg=-0.0177) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.397 (180deg=-1.07) USER MOD Single : A 30 CYS SG : rot -28:sc= 0.607 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 32:sc= 0.58 USER MOD Single : A 33 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.074) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.324 (180deg=-0.445) USER MOD Single : A 46 SER OG : rot 180:sc= -0.708 USER MOD Single : A 50 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.00415) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 60 GLN : amide:sc= -4.05! C(o=-4.1!,f=-6!) USER MOD Single : A 64 THR OG1 : rot 161:sc= 0.0175 USER MOD Single : A 65 HIS : no HD1:sc= -9.12! C(o=-9.1!,f=-8.1!) USER MOD Single : A 66 GLN : amide:sc= -4.9! K(o=-4.9!,f=-0.96) USER MOD Single : A 71 LYS NZ :NH3+ -109:sc= 0.328 (180deg=0) USER MOD Single : A 75 SER OG : rot 130:sc= -0.412 USER MOD Single : A 76 GLN : amide:sc= -2.24 X(o=-2.2,f=-1.8) USER MOD Single : A 82 THR OG1 : rot -97:sc= -2.27 USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= 0.125 (180deg=-0.0624) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.511 -12.315 1.687 1.00 0.00 N ATOM 2 CA LEU A 1 11.963 -10.946 1.941 1.00 0.00 C ATOM 3 C LEU A 1 13.015 -9.875 1.635 1.00 0.00 C ATOM 4 O LEU A 1 14.151 -10.179 1.317 1.00 0.00 O ATOM 5 CB LEU A 1 11.574 -10.921 3.429 1.00 0.00 C ATOM 6 CG LEU A 1 12.815 -11.109 4.313 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.777 -10.108 5.472 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.877 -12.535 4.871 1.00 0.00 C ATOM 0 H1 LEU A 1 11.903 -13.023 2.145 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.539 -12.493 0.663 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.473 -12.381 2.076 1.00 0.00 H new ATOM 0 HA LEU A 1 11.107 -10.732 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.090 -9.974 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.851 -11.710 3.635 1.00 0.00 H new ATOM 0 HG LEU A 1 13.702 -10.936 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.659 -10.243 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.765 -9.093 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.880 -10.275 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 1 13.765 -12.644 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.987 -12.730 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.923 -13.247 4.047 1.00 0.00 H new ATOM 22 N ASP A 2 12.631 -8.624 1.728 1.00 0.00 N ATOM 23 CA ASP A 2 13.571 -7.495 1.445 1.00 0.00 C ATOM 24 C ASP A 2 14.357 -7.725 0.137 1.00 0.00 C ATOM 25 O ASP A 2 15.574 -7.704 0.136 1.00 0.00 O ATOM 26 CB ASP A 2 14.518 -7.453 2.652 1.00 0.00 C ATOM 27 CG ASP A 2 14.790 -5.998 3.064 1.00 0.00 C ATOM 28 OD1 ASP A 2 14.826 -5.142 2.191 1.00 0.00 O ATOM 29 OD2 ASP A 2 14.961 -5.764 4.248 1.00 0.00 O ATOM 0 H ASP A 2 11.690 -8.334 1.993 1.00 0.00 H new ATOM 0 HA ASP A 2 13.037 -6.555 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.079 -7.999 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.456 -7.950 2.405 1.00 0.00 H new ATOM 34 N PRO A 3 13.633 -7.914 -0.947 1.00 0.00 N ATOM 35 CA PRO A 3 14.271 -8.118 -2.261 1.00 0.00 C ATOM 36 C PRO A 3 14.520 -6.738 -2.896 1.00 0.00 C ATOM 37 O PRO A 3 15.556 -6.135 -2.684 1.00 0.00 O ATOM 38 CB PRO A 3 13.236 -8.935 -3.032 1.00 0.00 C ATOM 39 CG PRO A 3 11.913 -8.617 -2.387 1.00 0.00 C ATOM 40 CD PRO A 3 12.172 -7.950 -1.051 1.00 0.00 C ATOM 0 HA PRO A 3 15.235 -8.626 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.232 -8.667 -4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.455 -10.001 -2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.327 -7.960 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.332 -9.528 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.745 -6.948 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.728 -8.514 -0.231 1.00 0.00 H new ATOM 48 N VAL A 4 13.558 -6.207 -3.617 1.00 0.00 N ATOM 49 CA VAL A 4 13.716 -4.839 -4.199 1.00 0.00 C ATOM 50 C VAL A 4 13.604 -3.847 -3.035 1.00 0.00 C ATOM 51 O VAL A 4 14.512 -3.095 -2.739 1.00 0.00 O ATOM 52 CB VAL A 4 12.536 -4.689 -5.169 1.00 0.00 C ATOM 53 CG1 VAL A 4 12.236 -3.237 -5.557 1.00 0.00 C ATOM 54 CG2 VAL A 4 12.824 -5.482 -6.450 1.00 0.00 C ATOM 0 H VAL A 4 12.671 -6.665 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 4 14.661 -4.669 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 4 11.661 -5.072 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.390 -3.211 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.994 -2.664 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.110 -2.802 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.986 -5.376 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.731 -5.099 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.960 -6.535 -6.203 1.00 0.00 H new ATOM 64 N ASP A 5 12.493 -3.910 -2.350 1.00 0.00 N ATOM 65 CA ASP A 5 12.249 -3.065 -1.149 1.00 0.00 C ATOM 66 C ASP A 5 11.246 -3.831 -0.276 1.00 0.00 C ATOM 67 O ASP A 5 11.631 -4.388 0.734 1.00 0.00 O ATOM 68 CB ASP A 5 11.699 -1.725 -1.656 1.00 0.00 C ATOM 69 CG ASP A 5 12.763 -0.639 -1.487 1.00 0.00 C ATOM 70 OD1 ASP A 5 12.881 -0.119 -0.387 1.00 0.00 O ATOM 71 OD2 ASP A 5 13.442 -0.346 -2.457 1.00 0.00 O ATOM 0 H ASP A 5 11.721 -4.534 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 5 13.139 -2.862 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.415 -1.810 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.799 -1.456 -1.103 1.00 0.00 H new ATOM 76 N PRO A 6 10.006 -3.916 -0.726 1.00 0.00 N ATOM 77 CA PRO A 6 8.997 -4.707 -0.009 1.00 0.00 C ATOM 78 C PRO A 6 8.960 -6.097 -0.661 1.00 0.00 C ATOM 79 O PRO A 6 9.796 -6.409 -1.490 1.00 0.00 O ATOM 80 CB PRO A 6 7.707 -3.941 -0.264 1.00 0.00 C ATOM 81 CG PRO A 6 7.941 -3.188 -1.547 1.00 0.00 C ATOM 82 CD PRO A 6 9.407 -3.300 -1.917 1.00 0.00 C ATOM 0 HA PRO A 6 9.179 -4.842 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.858 -4.619 -0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.485 -3.260 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.318 -3.596 -2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.661 -2.142 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.553 -3.915 -2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.845 -2.325 -2.129 1.00 0.00 H new ATOM 90 N ASN A 7 8.017 -6.932 -0.328 1.00 0.00 N ATOM 91 CA ASN A 7 7.984 -8.280 -0.978 1.00 0.00 C ATOM 92 C ASN A 7 7.492 -8.156 -2.426 1.00 0.00 C ATOM 93 O ASN A 7 8.155 -8.590 -3.348 1.00 0.00 O ATOM 94 CB ASN A 7 7.018 -9.124 -0.140 1.00 0.00 C ATOM 95 CG ASN A 7 7.670 -9.480 1.199 1.00 0.00 C ATOM 96 OD1 ASN A 7 8.564 -10.302 1.254 1.00 0.00 O ATOM 97 ND2 ASN A 7 7.258 -8.892 2.290 1.00 0.00 N ATOM 0 H ASN A 7 7.279 -6.750 0.352 1.00 0.00 H new ATOM 0 HA ASN A 7 8.972 -8.738 -1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.093 -8.573 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 7 6.753 -10.033 -0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.686 -9.123 3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.508 -8.202 2.245 1.00 0.00 H new ATOM 104 N ILE A 8 6.344 -7.559 -2.633 1.00 0.00 N ATOM 105 CA ILE A 8 5.815 -7.398 -4.029 1.00 0.00 C ATOM 106 C ILE A 8 5.286 -5.969 -4.254 1.00 0.00 C ATOM 107 O ILE A 8 4.515 -5.729 -5.166 1.00 0.00 O ATOM 108 CB ILE A 8 4.682 -8.440 -4.194 1.00 0.00 C ATOM 109 CG1 ILE A 8 3.377 -7.957 -3.528 1.00 0.00 C ATOM 110 CG2 ILE A 8 5.107 -9.791 -3.598 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.531 -7.859 -2.007 1.00 0.00 C ATOM 0 H ILE A 8 5.749 -7.176 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 8 6.602 -7.558 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 8 4.495 -8.563 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.100 -6.983 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.567 -8.645 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.300 -10.513 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.998 -10.151 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.325 -9.668 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.594 -7.516 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.784 -8.839 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.325 -7.152 -1.766 1.00 0.00 H new ATOM 123 N GLU A 9 5.692 -5.022 -3.431 1.00 0.00 N ATOM 124 CA GLU A 9 5.212 -3.608 -3.585 1.00 0.00 C ATOM 125 C GLU A 9 3.676 -3.574 -3.670 1.00 0.00 C ATOM 126 O GLU A 9 3.128 -3.213 -4.691 1.00 0.00 O ATOM 127 CB GLU A 9 5.835 -3.102 -4.894 1.00 0.00 C ATOM 128 CG GLU A 9 7.252 -2.582 -4.632 1.00 0.00 C ATOM 129 CD GLU A 9 7.939 -2.251 -5.961 1.00 0.00 C ATOM 130 OE1 GLU A 9 7.437 -1.392 -6.671 1.00 0.00 O ATOM 131 OE2 GLU A 9 8.958 -2.859 -6.245 1.00 0.00 O ATOM 0 H GLU A 9 6.338 -5.172 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 9 5.499 -2.986 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.864 -3.907 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.219 -2.308 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.212 -1.694 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.830 -3.331 -4.091 1.00 0.00 H new ATOM 138 N PRO A 10 3.028 -3.969 -2.597 1.00 0.00 N ATOM 139 CA PRO A 10 1.546 -3.994 -2.565 1.00 0.00 C ATOM 140 C PRO A 10 0.967 -2.641 -2.137 1.00 0.00 C ATOM 141 O PRO A 10 0.048 -2.580 -1.340 1.00 0.00 O ATOM 142 CB PRO A 10 1.234 -5.033 -1.507 1.00 0.00 C ATOM 143 CG PRO A 10 2.429 -5.038 -0.598 1.00 0.00 C ATOM 144 CD PRO A 10 3.605 -4.432 -1.331 1.00 0.00 C ATOM 0 HA PRO A 10 1.120 -4.213 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.325 -4.779 -0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.074 -6.014 -1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.216 -4.470 0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.662 -6.057 -0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.046 -3.609 -0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.394 -5.165 -1.496 1.00 0.00 H new ATOM 152 N TRP A 11 1.472 -1.561 -2.655 1.00 0.00 N ATOM 153 CA TRP A 11 0.920 -0.237 -2.258 1.00 0.00 C ATOM 154 C TRP A 11 0.064 0.330 -3.399 1.00 0.00 C ATOM 155 O TRP A 11 -0.143 1.520 -3.507 1.00 0.00 O ATOM 156 CB TRP A 11 2.145 0.643 -1.994 1.00 0.00 C ATOM 157 CG TRP A 11 2.875 0.164 -0.778 1.00 0.00 C ATOM 158 CD1 TRP A 11 3.685 -0.918 -0.732 1.00 0.00 C ATOM 159 CD2 TRP A 11 2.879 0.737 0.560 1.00 0.00 C ATOM 160 NE1 TRP A 11 4.183 -1.049 0.551 1.00 0.00 N ATOM 161 CE2 TRP A 11 3.716 -0.051 1.385 1.00 0.00 C ATOM 162 CE3 TRP A 11 2.246 1.852 1.134 1.00 0.00 C ATOM 163 CZ2 TRP A 11 3.912 0.260 2.730 1.00 0.00 C ATOM 164 CZ3 TRP A 11 2.444 2.164 2.485 1.00 0.00 C ATOM 165 CH2 TRP A 11 3.275 1.372 3.279 1.00 0.00 C ATOM 0 H TRP A 11 2.236 -1.535 -3.330 1.00 0.00 H new ATOM 0 HA TRP A 11 0.277 -0.294 -1.380 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.810 0.622 -2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.835 1.679 -1.856 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.907 -1.573 -1.562 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.817 -1.791 0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.602 2.473 0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.553 -0.357 3.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.950 3.023 2.915 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.425 1.621 4.319 1.00 0.00 H new ATOM 176 N ASN A 12 -0.449 -0.529 -4.240 1.00 0.00 N ATOM 177 CA ASN A 12 -1.299 -0.074 -5.376 1.00 0.00 C ATOM 178 C ASN A 12 -2.618 -0.841 -5.352 1.00 0.00 C ATOM 179 O ASN A 12 -2.639 -2.057 -5.290 1.00 0.00 O ATOM 180 CB ASN A 12 -0.492 -0.374 -6.652 1.00 0.00 C ATOM 181 CG ASN A 12 0.148 -1.769 -6.588 1.00 0.00 C ATOM 182 OD1 ASN A 12 -0.301 -2.684 -7.248 1.00 0.00 O ATOM 183 ND2 ASN A 12 1.184 -1.971 -5.813 1.00 0.00 N ATOM 0 H ASN A 12 -0.313 -1.538 -4.186 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.543 0.987 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.145 -0.310 -7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.285 0.380 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.612 -2.896 -5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.563 -1.204 -5.258 1.00 0.00 H new ATOM 190 N HIS A 13 -3.718 -0.137 -5.358 1.00 0.00 N ATOM 191 CA HIS A 13 -5.040 -0.820 -5.291 1.00 0.00 C ATOM 192 C HIS A 13 -5.996 -0.307 -6.375 1.00 0.00 C ATOM 193 O HIS A 13 -6.472 0.812 -6.302 1.00 0.00 O ATOM 194 CB HIS A 13 -5.584 -0.472 -3.902 1.00 0.00 C ATOM 195 CG HIS A 13 -4.721 -1.093 -2.834 1.00 0.00 C ATOM 196 ND1 HIS A 13 -5.080 -2.260 -2.180 1.00 0.00 N ATOM 197 CD2 HIS A 13 -3.515 -0.717 -2.292 1.00 0.00 C ATOM 198 CE1 HIS A 13 -4.110 -2.543 -1.293 1.00 0.00 C ATOM 199 NE2 HIS A 13 -3.132 -1.635 -1.319 1.00 0.00 N ATOM 0 H HIS A 13 -3.757 0.881 -5.406 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.944 -1.893 -5.454 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.611 0.610 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.609 -0.830 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.950 0.158 -2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.121 -3.402 -0.638 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.286 -1.618 -0.749 1.00 0.00 H new ATOM 207 N PRO A 14 -6.276 -1.163 -7.331 1.00 0.00 N ATOM 208 CA PRO A 14 -7.226 -0.819 -8.425 1.00 0.00 C ATOM 209 C PRO A 14 -8.648 -0.650 -7.869 1.00 0.00 C ATOM 210 O PRO A 14 -9.514 -0.094 -8.514 1.00 0.00 O ATOM 211 CB PRO A 14 -7.161 -2.037 -9.347 1.00 0.00 C ATOM 212 CG PRO A 14 -6.701 -3.144 -8.461 1.00 0.00 C ATOM 213 CD PRO A 14 -5.738 -2.521 -7.491 1.00 0.00 C ATOM 0 HA PRO A 14 -6.976 0.115 -8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.134 -2.257 -9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.469 -1.874 -10.173 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.541 -3.601 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.218 -3.932 -9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.711 -3.060 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.720 -2.510 -7.881 1.00 0.00 H new ATOM 221 N GLY A 15 -8.895 -1.159 -6.689 1.00 0.00 N ATOM 222 CA GLY A 15 -10.261 -1.065 -6.098 1.00 0.00 C ATOM 223 C GLY A 15 -11.152 -2.118 -6.766 1.00 0.00 C ATOM 224 O GLY A 15 -12.363 -2.049 -6.707 1.00 0.00 O ATOM 0 H GLY A 15 -8.206 -1.637 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.220 -1.231 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.673 -0.067 -6.252 1.00 0.00 H new ATOM 228 N SER A 16 -10.545 -3.092 -7.404 1.00 0.00 N ATOM 229 CA SER A 16 -11.319 -4.162 -8.097 1.00 0.00 C ATOM 230 C SER A 16 -10.649 -5.534 -7.883 1.00 0.00 C ATOM 231 O SER A 16 -11.113 -6.539 -8.390 1.00 0.00 O ATOM 232 CB SER A 16 -11.261 -3.769 -9.573 1.00 0.00 C ATOM 233 OG SER A 16 -12.160 -4.576 -10.318 1.00 0.00 O ATOM 0 H SER A 16 -9.532 -3.188 -7.472 1.00 0.00 H new ATOM 0 HA SER A 16 -12.340 -4.249 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.520 -2.717 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.247 -3.892 -9.953 1.00 0.00 H new ATOM 0 HG SER A 16 -12.193 -5.475 -9.928 1.00 0.00 H new ATOM 239 N GLN A 17 -9.571 -5.584 -7.130 1.00 0.00 N ATOM 240 CA GLN A 17 -8.881 -6.880 -6.878 1.00 0.00 C ATOM 241 C GLN A 17 -8.432 -6.975 -5.405 1.00 0.00 C ATOM 242 O GLN A 17 -8.935 -7.809 -4.679 1.00 0.00 O ATOM 243 CB GLN A 17 -7.687 -6.903 -7.834 1.00 0.00 C ATOM 244 CG GLN A 17 -8.128 -7.433 -9.201 1.00 0.00 C ATOM 245 CD GLN A 17 -7.203 -6.875 -10.285 1.00 0.00 C ATOM 246 OE1 GLN A 17 -6.337 -7.571 -10.776 1.00 0.00 O ATOM 247 NE2 GLN A 17 -7.350 -5.639 -10.682 1.00 0.00 N ATOM 0 H GLN A 17 -9.143 -4.775 -6.680 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.536 -7.734 -7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.274 -5.900 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.896 -7.533 -7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.098 -8.523 -9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.159 -7.141 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.077 -5.054 -10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.738 -5.259 -11.404 1.00 0.00 H new ATOM 256 N PRO A 18 -7.511 -6.114 -4.992 1.00 0.00 N ATOM 257 CA PRO A 18 -7.039 -6.131 -3.579 1.00 0.00 C ATOM 258 C PRO A 18 -8.131 -5.603 -2.632 1.00 0.00 C ATOM 259 O PRO A 18 -7.984 -5.634 -1.425 1.00 0.00 O ATOM 260 CB PRO A 18 -5.839 -5.195 -3.581 1.00 0.00 C ATOM 261 CG PRO A 18 -6.094 -4.278 -4.729 1.00 0.00 C ATOM 262 CD PRO A 18 -6.836 -5.070 -5.774 1.00 0.00 C ATOM 0 HA PRO A 18 -6.793 -7.135 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.760 -4.646 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.906 -5.744 -3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.681 -3.416 -4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.156 -3.894 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.549 -4.450 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.157 -5.496 -6.513 1.00 0.00 H new ATOM 270 N LYS A 19 -9.227 -5.127 -3.174 1.00 0.00 N ATOM 271 CA LYS A 19 -10.344 -4.614 -2.326 1.00 0.00 C ATOM 272 C LYS A 19 -11.675 -5.114 -2.904 1.00 0.00 C ATOM 273 O LYS A 19 -12.718 -4.534 -2.664 1.00 0.00 O ATOM 274 CB LYS A 19 -10.272 -3.081 -2.421 1.00 0.00 C ATOM 275 CG LYS A 19 -8.818 -2.596 -2.331 1.00 0.00 C ATOM 276 CD LYS A 19 -8.349 -2.651 -0.873 1.00 0.00 C ATOM 277 CE LYS A 19 -7.621 -1.351 -0.514 1.00 0.00 C ATOM 278 NZ LYS A 19 -8.098 -1.027 0.861 1.00 0.00 N ATOM 0 H LYS A 19 -9.394 -5.073 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.270 -4.951 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.713 -2.749 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.859 -2.635 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.177 -3.219 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.739 -1.577 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.203 -2.795 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.685 -3.503 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.539 -1.481 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.862 -0.553 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.648 -0.148 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.131 -0.904 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.849 -1.803 1.507 1.00 0.00 H new ATOM 292 N THR A 20 -11.640 -6.175 -3.688 1.00 0.00 N ATOM 293 CA THR A 20 -12.894 -6.695 -4.318 1.00 0.00 C ATOM 294 C THR A 20 -12.737 -8.153 -4.785 1.00 0.00 C ATOM 295 O THR A 20 -13.667 -8.934 -4.704 1.00 0.00 O ATOM 296 CB THR A 20 -13.092 -5.790 -5.538 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.611 -4.533 -5.126 1.00 0.00 O ATOM 298 CG2 THR A 20 -14.063 -6.437 -6.531 1.00 0.00 C ATOM 0 H THR A 20 -10.795 -6.699 -3.915 1.00 0.00 H new ATOM 0 HA THR A 20 -13.730 -6.686 -3.618 1.00 0.00 H new ATOM 0 HB THR A 20 -12.127 -5.647 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.636 -4.494 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.193 -5.782 -7.392 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.661 -7.395 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.027 -6.595 -6.047 1.00 0.00 H new ATOM 306 N ALA A 21 -11.590 -8.510 -5.318 1.00 0.00 N ATOM 307 CA ALA A 21 -11.400 -9.908 -5.842 1.00 0.00 C ATOM 308 C ALA A 21 -11.168 -10.938 -4.719 1.00 0.00 C ATOM 309 O ALA A 21 -10.284 -11.770 -4.824 1.00 0.00 O ATOM 310 CB ALA A 21 -10.166 -9.829 -6.747 1.00 0.00 C ATOM 0 H ALA A 21 -10.779 -7.899 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.294 -10.245 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.961 -10.813 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.351 -9.119 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.307 -9.499 -6.163 1.00 0.00 H new ATOM 316 N CYS A 22 -11.958 -10.908 -3.658 1.00 0.00 N ATOM 317 CA CYS A 22 -11.780 -11.900 -2.536 1.00 0.00 C ATOM 318 C CYS A 22 -10.286 -12.077 -2.220 1.00 0.00 C ATOM 319 O CYS A 22 -9.810 -13.164 -1.950 1.00 0.00 O ATOM 320 CB CYS A 22 -12.388 -13.201 -3.068 1.00 0.00 C ATOM 321 SG CYS A 22 -13.499 -13.906 -1.822 1.00 0.00 S ATOM 0 H CYS A 22 -12.717 -10.240 -3.523 1.00 0.00 H new ATOM 0 HA CYS A 22 -12.257 -11.579 -1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.935 -13.008 -3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -11.598 -13.912 -3.309 1.00 0.00 H new ATOM 0 HG CYS A 22 -14.016 -15.009 -2.276 1.00 0.00 H new ATOM 327 N ASN A 23 -9.555 -11.001 -2.295 1.00 0.00 N ATOM 328 CA ASN A 23 -8.081 -11.035 -2.054 1.00 0.00 C ATOM 329 C ASN A 23 -7.741 -11.165 -0.557 1.00 0.00 C ATOM 330 O ASN A 23 -6.785 -11.825 -0.199 1.00 0.00 O ATOM 331 CB ASN A 23 -7.589 -9.695 -2.622 1.00 0.00 C ATOM 332 CG ASN A 23 -8.013 -8.551 -1.697 1.00 0.00 C ATOM 333 OD1 ASN A 23 -7.253 -8.139 -0.849 1.00 0.00 O ATOM 334 ND2 ASN A 23 -9.200 -8.012 -1.829 1.00 0.00 N ATOM 0 H ASN A 23 -9.924 -10.077 -2.518 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.607 -11.897 -2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.504 -9.709 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.000 -9.540 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.483 -7.246 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.841 -8.358 -2.543 1.00 0.00 H new ATOM 341 N ARG A 24 -8.505 -10.546 0.315 1.00 0.00 N ATOM 342 CA ARG A 24 -8.218 -10.634 1.774 1.00 0.00 C ATOM 343 C ARG A 24 -9.378 -10.029 2.571 1.00 0.00 C ATOM 344 O ARG A 24 -10.351 -9.556 2.014 1.00 0.00 O ATOM 345 CB ARG A 24 -6.924 -9.838 1.997 1.00 0.00 C ATOM 346 CG ARG A 24 -7.213 -8.334 2.014 1.00 0.00 C ATOM 347 CD ARG A 24 -5.914 -7.578 1.732 1.00 0.00 C ATOM 348 NE ARG A 24 -6.345 -6.324 1.044 1.00 0.00 N ATOM 349 CZ ARG A 24 -5.610 -5.242 1.122 1.00 0.00 C ATOM 350 NH1 ARG A 24 -4.304 -5.327 1.057 1.00 0.00 N ATOM 351 NH2 ARG A 24 -6.183 -4.074 1.261 1.00 0.00 N ATOM 0 H ARG A 24 -9.319 -9.982 0.071 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.104 -11.666 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.465 -10.136 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.209 -10.068 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.964 -8.086 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.619 -8.039 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.376 -7.359 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.244 -8.164 1.103 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.215 -6.310 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.857 -6.237 0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.734 -4.483 1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.200 -4.007 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.613 -3.230 1.322 1.00 0.00 H new ATOM 365 N CYS A 25 -9.262 -10.057 3.869 1.00 0.00 N ATOM 366 CA CYS A 25 -10.330 -9.516 4.774 1.00 0.00 C ATOM 367 C CYS A 25 -10.001 -9.881 6.229 1.00 0.00 C ATOM 368 O CYS A 25 -10.860 -10.301 6.982 1.00 0.00 O ATOM 369 CB CYS A 25 -11.603 -10.248 4.351 1.00 0.00 C ATOM 370 SG CYS A 25 -13.053 -9.388 5.015 1.00 0.00 S ATOM 0 H CYS A 25 -8.453 -10.441 4.358 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.423 -8.432 4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -11.663 -10.295 3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -11.580 -11.276 4.714 1.00 0.00 H new ATOM 0 HG CYS A 25 -14.133 -10.013 4.651 1.00 0.00 H new ATOM 376 N HIS A 26 -8.758 -9.762 6.624 1.00 0.00 N ATOM 377 CA HIS A 26 -8.373 -10.152 8.020 1.00 0.00 C ATOM 378 C HIS A 26 -7.023 -9.518 8.386 1.00 0.00 C ATOM 379 O HIS A 26 -6.924 -8.775 9.341 1.00 0.00 O ATOM 380 CB HIS A 26 -8.272 -11.704 8.025 1.00 0.00 C ATOM 381 CG HIS A 26 -8.448 -12.279 6.632 1.00 0.00 C ATOM 382 ND1 HIS A 26 -9.581 -12.984 6.249 1.00 0.00 N ATOM 383 CD2 HIS A 26 -7.660 -12.213 5.513 1.00 0.00 C ATOM 384 CE1 HIS A 26 -9.436 -13.304 4.946 1.00 0.00 C ATOM 385 NE2 HIS A 26 -8.282 -12.862 4.454 1.00 0.00 N ATOM 0 H HIS A 26 -7.994 -9.413 6.045 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.103 -9.807 8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.303 -12.005 8.424 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.032 -12.117 8.688 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.377 -13.217 6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.697 -11.728 5.462 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.168 -13.853 4.372 1.00 0.00 H new ATOM 393 N CYS A 27 -5.993 -9.796 7.623 1.00 0.00 N ATOM 394 CA CYS A 27 -4.650 -9.197 7.913 1.00 0.00 C ATOM 395 C CYS A 27 -4.562 -7.768 7.344 1.00 0.00 C ATOM 396 O CYS A 27 -3.647 -7.029 7.651 1.00 0.00 O ATOM 397 CB CYS A 27 -3.645 -10.114 7.209 1.00 0.00 C ATOM 398 SG CYS A 27 -3.104 -11.408 8.354 1.00 0.00 S ATOM 0 H CYS A 27 -6.024 -10.412 6.811 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.459 -9.123 8.984 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.102 -10.562 6.326 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.787 -9.536 6.865 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.253 -12.188 7.756 1.00 0.00 H new ATOM 404 N LYS A 28 -5.510 -7.383 6.520 1.00 0.00 N ATOM 405 CA LYS A 28 -5.505 -6.009 5.919 1.00 0.00 C ATOM 406 C LYS A 28 -5.899 -4.955 6.965 1.00 0.00 C ATOM 407 O LYS A 28 -5.515 -3.803 6.872 1.00 0.00 O ATOM 408 CB LYS A 28 -6.550 -6.092 4.807 1.00 0.00 C ATOM 409 CG LYS A 28 -7.076 -4.700 4.434 1.00 0.00 C ATOM 410 CD LYS A 28 -8.331 -4.849 3.568 1.00 0.00 C ATOM 411 CE LYS A 28 -9.450 -5.504 4.387 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.347 -6.121 3.366 1.00 0.00 N ATOM 0 H LYS A 28 -6.295 -7.969 6.236 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.523 -5.713 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.113 -6.566 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.379 -6.722 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.307 -4.132 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.311 -4.142 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.654 -3.872 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.108 -5.454 2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.054 -6.253 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.982 -4.769 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.151 -6.578 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.698 -5.384 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.817 -6.832 2.822 1.00 0.00 H new ATOM 426 N LYS A 29 -6.659 -5.343 7.955 1.00 0.00 N ATOM 427 CA LYS A 29 -7.079 -4.380 9.013 1.00 0.00 C ATOM 428 C LYS A 29 -6.847 -4.995 10.401 1.00 0.00 C ATOM 429 O LYS A 29 -7.531 -4.676 11.356 1.00 0.00 O ATOM 430 CB LYS A 29 -8.575 -4.119 8.746 1.00 0.00 C ATOM 431 CG LYS A 29 -9.450 -5.222 9.361 1.00 0.00 C ATOM 432 CD LYS A 29 -9.298 -6.522 8.567 1.00 0.00 C ATOM 433 CE LYS A 29 -10.524 -7.412 8.798 1.00 0.00 C ATOM 434 NZ LYS A 29 -10.280 -8.055 10.125 1.00 0.00 N ATOM 0 H LYS A 29 -7.009 -6.293 8.076 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.510 -3.451 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.858 -3.152 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.752 -4.068 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.164 -5.386 10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.494 -4.909 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.191 -6.301 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.393 -7.045 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.443 -6.826 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.627 -8.157 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.843 -8.927 10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.270 -8.286 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.557 -7.400 10.884 1.00 0.00 H new ATOM 448 N CYS A 30 -5.885 -5.882 10.515 1.00 0.00 N ATOM 449 CA CYS A 30 -5.605 -6.534 11.834 1.00 0.00 C ATOM 450 C CYS A 30 -4.829 -5.596 12.784 1.00 0.00 C ATOM 451 O CYS A 30 -3.909 -6.017 13.461 1.00 0.00 O ATOM 452 CB CYS A 30 -4.782 -7.784 11.482 1.00 0.00 C ATOM 453 SG CYS A 30 -3.085 -7.324 11.042 1.00 0.00 S ATOM 0 H CYS A 30 -5.281 -6.182 9.750 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.523 -6.782 12.367 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.771 -8.470 12.329 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.249 -8.312 10.651 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.076 -6.124 10.542 1.00 0.00 H new ATOM 459 N CYS A 31 -5.215 -4.335 12.853 1.00 0.00 N ATOM 460 CA CYS A 31 -4.534 -3.352 13.763 1.00 0.00 C ATOM 461 C CYS A 31 -3.005 -3.481 13.684 1.00 0.00 C ATOM 462 O CYS A 31 -2.377 -4.074 14.544 1.00 0.00 O ATOM 463 CB CYS A 31 -5.041 -3.694 15.168 1.00 0.00 C ATOM 464 SG CYS A 31 -4.907 -2.235 16.233 1.00 0.00 S ATOM 0 H CYS A 31 -5.984 -3.944 12.309 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.760 -2.323 13.485 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.077 -4.028 15.120 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.460 -4.516 15.585 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.339 -2.526 17.424 1.00 0.00 H new ATOM 470 N TYR A 32 -2.401 -2.924 12.665 1.00 0.00 N ATOM 471 CA TYR A 32 -0.916 -3.015 12.541 1.00 0.00 C ATOM 472 C TYR A 32 -0.374 -1.806 11.775 1.00 0.00 C ATOM 473 O TYR A 32 0.509 -1.932 10.949 1.00 0.00 O ATOM 474 CB TYR A 32 -0.643 -4.322 11.775 1.00 0.00 C ATOM 475 CG TYR A 32 -1.263 -4.317 10.388 1.00 0.00 C ATOM 476 CD1 TYR A 32 -2.659 -4.297 10.212 1.00 0.00 C ATOM 477 CD2 TYR A 32 -0.425 -4.348 9.270 1.00 0.00 C ATOM 478 CE1 TYR A 32 -3.199 -4.303 8.921 1.00 0.00 C ATOM 479 CE2 TYR A 32 -0.969 -4.356 7.982 1.00 0.00 C ATOM 480 CZ TYR A 32 -2.354 -4.332 7.806 1.00 0.00 C ATOM 481 OH TYR A 32 -2.883 -4.340 6.533 1.00 0.00 O ATOM 0 H TYR A 32 -2.870 -2.413 11.917 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.424 -3.017 13.514 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.433 -4.472 11.689 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.038 -5.164 12.344 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.312 -4.277 11.072 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.647 -4.366 9.401 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.270 -4.285 8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.317 -4.381 7.122 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.724 -3.837 6.525 1.00 0.00 H new ATOM 491 N HIS A 33 -0.910 -0.633 12.046 1.00 0.00 N ATOM 492 CA HIS A 33 -0.451 0.606 11.336 1.00 0.00 C ATOM 493 C HIS A 33 -0.530 0.404 9.812 1.00 0.00 C ATOM 494 O HIS A 33 0.109 1.106 9.055 1.00 0.00 O ATOM 495 CB HIS A 33 1.001 0.823 11.783 1.00 0.00 C ATOM 496 CG HIS A 33 1.044 1.114 13.259 1.00 0.00 C ATOM 497 ND1 HIS A 33 0.941 2.401 13.766 1.00 0.00 N ATOM 498 CD2 HIS A 33 1.183 0.291 14.350 1.00 0.00 C ATOM 499 CE1 HIS A 33 1.020 2.313 15.108 1.00 0.00 C ATOM 500 NE2 HIS A 33 1.168 1.051 15.516 1.00 0.00 N ATOM 0 H HIS A 33 -1.649 -0.483 12.733 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.073 1.468 11.574 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.596 -0.063 11.561 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.442 1.650 11.227 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.288 -0.783 14.309 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.970 3.162 15.774 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.252 0.716 16.476 1.00 0.00 H new ATOM 508 N CYS A 34 -1.321 -0.555 9.369 1.00 0.00 N ATOM 509 CA CYS A 34 -1.472 -0.845 7.910 1.00 0.00 C ATOM 510 C CYS A 34 -0.104 -1.170 7.266 1.00 0.00 C ATOM 511 O CYS A 34 0.586 -2.064 7.711 1.00 0.00 O ATOM 512 CB CYS A 34 -2.110 0.413 7.309 1.00 0.00 C ATOM 513 SG CYS A 34 -3.726 0.702 8.072 1.00 0.00 S ATOM 0 H CYS A 34 -1.877 -1.158 9.976 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.093 -1.722 7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.462 1.274 7.471 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.222 0.296 6.231 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.262 1.771 7.561 1.00 0.00 H new ATOM 519 N GLN A 35 0.281 -0.457 6.220 1.00 0.00 N ATOM 520 CA GLN A 35 1.597 -0.704 5.519 1.00 0.00 C ATOM 521 C GLN A 35 1.566 -1.980 4.658 1.00 0.00 C ATOM 522 O GLN A 35 2.538 -2.288 3.997 1.00 0.00 O ATOM 523 CB GLN A 35 2.669 -0.825 6.604 1.00 0.00 C ATOM 524 CG GLN A 35 2.620 0.405 7.505 1.00 0.00 C ATOM 525 CD GLN A 35 3.186 0.046 8.867 1.00 0.00 C ATOM 526 OE1 GLN A 35 4.222 0.541 9.260 1.00 0.00 O ATOM 527 NE2 GLN A 35 2.541 -0.804 9.608 1.00 0.00 N ATOM 0 H GLN A 35 -0.272 0.299 5.816 1.00 0.00 H new ATOM 0 HA GLN A 35 1.808 0.121 4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.506 -1.727 7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.655 -0.916 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.194 1.219 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.593 0.757 7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.671 -1.216 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.905 -1.059 10.526 1.00 0.00 H new ATOM 536 N VAL A 36 0.463 -2.709 4.653 1.00 0.00 N ATOM 537 CA VAL A 36 0.349 -3.965 3.827 1.00 0.00 C ATOM 538 C VAL A 36 1.604 -4.850 3.937 1.00 0.00 C ATOM 539 O VAL A 36 2.395 -4.714 4.853 1.00 0.00 O ATOM 540 CB VAL A 36 0.135 -3.483 2.379 1.00 0.00 C ATOM 541 CG1 VAL A 36 -1.264 -2.872 2.254 1.00 0.00 C ATOM 542 CG2 VAL A 36 1.116 -2.519 1.704 1.00 0.00 C ATOM 0 H VAL A 36 -0.372 -2.483 5.193 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.473 -4.589 4.177 1.00 0.00 H new ATOM 0 HB VAL A 36 0.309 -4.412 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.421 -2.529 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.013 -3.624 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.355 -2.028 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.779 -2.309 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.161 -1.589 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.107 -2.972 1.671 1.00 0.00 H new ATOM 552 N CYS A 37 1.786 -5.764 3.008 1.00 0.00 N ATOM 553 CA CYS A 37 2.986 -6.657 3.051 1.00 0.00 C ATOM 554 C CYS A 37 4.179 -5.930 2.423 1.00 0.00 C ATOM 555 O CYS A 37 4.531 -6.154 1.279 1.00 0.00 O ATOM 556 CB CYS A 37 2.604 -7.896 2.232 1.00 0.00 C ATOM 557 SG CYS A 37 3.520 -9.332 2.849 1.00 0.00 S ATOM 0 H CYS A 37 1.154 -5.927 2.224 1.00 0.00 H new ATOM 0 HA CYS A 37 3.270 -6.932 4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.532 -8.077 2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.829 -7.732 1.178 1.00 0.00 H new ATOM 0 HG CYS A 37 3.196 -10.384 2.157 1.00 0.00 H new ATOM 563 N PHE A 38 4.783 -5.037 3.163 1.00 0.00 N ATOM 564 CA PHE A 38 5.935 -4.258 2.614 1.00 0.00 C ATOM 565 C PHE A 38 7.285 -4.989 2.825 1.00 0.00 C ATOM 566 O PHE A 38 7.408 -6.155 2.510 1.00 0.00 O ATOM 567 CB PHE A 38 5.864 -2.883 3.321 1.00 0.00 C ATOM 568 CG PHE A 38 6.187 -2.928 4.807 1.00 0.00 C ATOM 569 CD1 PHE A 38 6.181 -4.133 5.527 1.00 0.00 C ATOM 570 CD2 PHE A 38 6.488 -1.730 5.468 1.00 0.00 C ATOM 571 CE1 PHE A 38 6.474 -4.132 6.893 1.00 0.00 C ATOM 572 CE2 PHE A 38 6.783 -1.733 6.833 1.00 0.00 C ATOM 573 CZ PHE A 38 6.776 -2.933 7.544 1.00 0.00 C ATOM 0 H PHE A 38 4.529 -4.813 4.125 1.00 0.00 H new ATOM 0 HA PHE A 38 5.873 -4.140 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.557 -2.199 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.863 -2.471 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.950 -5.061 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.492 -0.800 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.467 -5.059 7.447 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.016 -0.807 7.338 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.004 -2.935 8.600 1.00 0.00 H new ATOM 583 N ILE A 39 8.304 -4.305 3.295 1.00 0.00 N ATOM 584 CA ILE A 39 9.659 -4.947 3.461 1.00 0.00 C ATOM 585 C ILE A 39 9.649 -6.152 4.422 1.00 0.00 C ATOM 586 O ILE A 39 10.405 -7.089 4.240 1.00 0.00 O ATOM 587 CB ILE A 39 10.572 -3.836 4.011 1.00 0.00 C ATOM 588 CG1 ILE A 39 9.916 -3.151 5.217 1.00 0.00 C ATOM 589 CG2 ILE A 39 10.829 -2.792 2.921 1.00 0.00 C ATOM 590 CD1 ILE A 39 10.998 -2.575 6.131 1.00 0.00 C ATOM 0 H ILE A 39 8.259 -3.325 3.573 1.00 0.00 H new ATOM 0 HA ILE A 39 10.001 -5.348 2.507 1.00 0.00 H new ATOM 0 HB ILE A 39 11.514 -4.286 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.250 -2.357 4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.305 -3.867 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.475 -2.007 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.313 -3.268 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.882 -2.356 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.530 -2.089 6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.646 -3.379 6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.591 -1.846 5.579 1.00 0.00 H new ATOM 602 N THR A 40 8.829 -6.139 5.441 1.00 0.00 N ATOM 603 CA THR A 40 8.807 -7.284 6.406 1.00 0.00 C ATOM 604 C THR A 40 7.418 -7.941 6.439 1.00 0.00 C ATOM 605 O THR A 40 6.411 -7.301 6.193 1.00 0.00 O ATOM 606 CB THR A 40 9.153 -6.644 7.760 1.00 0.00 C ATOM 607 OG1 THR A 40 10.442 -6.046 7.676 1.00 0.00 O ATOM 608 CG2 THR A 40 9.153 -7.695 8.877 1.00 0.00 C ATOM 0 H THR A 40 8.173 -5.386 5.648 1.00 0.00 H new ATOM 0 HA THR A 40 9.505 -8.076 6.135 1.00 0.00 H new ATOM 0 HB THR A 40 8.401 -5.891 7.994 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.444 -5.201 8.172 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.401 -7.218 9.825 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.166 -8.151 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.893 -8.464 8.653 1.00 0.00 H new ATOM 616 N LYS A 41 7.364 -9.217 6.743 1.00 0.00 N ATOM 617 CA LYS A 41 6.047 -9.935 6.797 1.00 0.00 C ATOM 618 C LYS A 41 5.207 -9.472 8.000 1.00 0.00 C ATOM 619 O LYS A 41 4.016 -9.716 8.057 1.00 0.00 O ATOM 620 CB LYS A 41 6.401 -11.425 6.923 1.00 0.00 C ATOM 621 CG LYS A 41 7.059 -11.705 8.281 1.00 0.00 C ATOM 622 CD LYS A 41 6.071 -12.444 9.191 1.00 0.00 C ATOM 623 CE LYS A 41 5.713 -11.559 10.391 1.00 0.00 C ATOM 624 NZ LYS A 41 4.220 -11.554 10.421 1.00 0.00 N ATOM 0 H LYS A 41 8.177 -9.795 6.957 1.00 0.00 H new ATOM 0 HA LYS A 41 5.446 -9.731 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.500 -12.030 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.076 -11.714 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.959 -12.304 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.367 -10.769 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.170 -12.700 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.509 -13.381 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.127 -11.959 11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.111 -10.551 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.892 -11.146 11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.859 -10.984 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.868 -12.529 10.335 1.00 0.00 H new ATOM 638 N GLY A 42 5.811 -8.802 8.959 1.00 0.00 N ATOM 639 CA GLY A 42 5.044 -8.320 10.148 1.00 0.00 C ATOM 640 C GLY A 42 4.107 -7.172 9.745 1.00 0.00 C ATOM 641 O GLY A 42 3.279 -6.743 10.522 1.00 0.00 O ATOM 0 H GLY A 42 6.804 -8.570 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.465 -9.140 10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.733 -7.982 10.922 1.00 0.00 H new ATOM 645 N LEU A 43 4.231 -6.677 8.533 1.00 0.00 N ATOM 646 CA LEU A 43 3.352 -5.558 8.056 1.00 0.00 C ATOM 647 C LEU A 43 3.585 -4.288 8.888 1.00 0.00 C ATOM 648 O LEU A 43 2.712 -3.451 9.012 1.00 0.00 O ATOM 649 CB LEU A 43 1.908 -6.061 8.213 1.00 0.00 C ATOM 650 CG LEU A 43 1.779 -7.493 7.679 1.00 0.00 C ATOM 651 CD1 LEU A 43 0.327 -7.957 7.804 1.00 0.00 C ATOM 652 CD2 LEU A 43 2.300 -7.620 6.247 1.00 0.00 C ATOM 0 H LEU A 43 4.911 -7.005 7.847 1.00 0.00 H new ATOM 0 HA LEU A 43 3.569 -5.293 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.618 -6.030 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.226 -5.403 7.675 1.00 0.00 H new ATOM 0 HG LEU A 43 2.406 -8.147 8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.236 -8.975 7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.026 -7.932 8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.318 -7.295 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.189 -8.651 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.730 -6.961 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.353 -7.340 6.217 1.00 0.00 H new ATOM 664 N GLY A 44 4.760 -4.137 9.448 1.00 0.00 N ATOM 665 CA GLY A 44 5.067 -2.922 10.263 1.00 0.00 C ATOM 666 C GLY A 44 4.407 -3.006 11.642 1.00 0.00 C ATOM 667 O GLY A 44 4.150 -1.994 12.269 1.00 0.00 O ATOM 0 H GLY A 44 5.524 -4.808 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.146 -2.820 10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.716 -2.032 9.741 1.00 0.00 H new ATOM 671 N ILE A 45 4.135 -4.195 12.127 1.00 0.00 N ATOM 672 CA ILE A 45 3.495 -4.318 13.478 1.00 0.00 C ATOM 673 C ILE A 45 4.467 -3.848 14.574 1.00 0.00 C ATOM 674 O ILE A 45 4.166 -2.934 15.318 1.00 0.00 O ATOM 675 CB ILE A 45 3.116 -5.803 13.671 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.250 -6.737 13.215 1.00 0.00 C ATOM 677 CG2 ILE A 45 1.849 -6.110 12.868 1.00 0.00 C ATOM 678 CD1 ILE A 45 4.787 -7.525 14.415 1.00 0.00 C ATOM 0 H ILE A 45 4.326 -5.077 11.652 1.00 0.00 H new ATOM 0 HA ILE A 45 2.606 -3.691 13.547 1.00 0.00 H new ATOM 0 HB ILE A 45 2.942 -5.976 14.733 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.883 -7.424 12.452 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.053 -6.155 12.761 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.578 -7.157 13.002 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.034 -5.477 13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.032 -5.915 11.811 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.590 -8.185 14.087 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.170 -6.832 15.164 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.983 -8.120 14.849 1.00 0.00 H new ATOM 690 N SER A 46 5.630 -4.456 14.675 1.00 0.00 N ATOM 691 CA SER A 46 6.620 -4.036 15.721 1.00 0.00 C ATOM 692 C SER A 46 7.958 -4.790 15.568 1.00 0.00 C ATOM 693 O SER A 46 8.684 -4.962 16.531 1.00 0.00 O ATOM 694 CB SER A 46 5.962 -4.391 17.061 1.00 0.00 C ATOM 695 OG SER A 46 5.724 -5.792 17.124 1.00 0.00 O ATOM 0 H SER A 46 5.935 -5.225 14.078 1.00 0.00 H new ATOM 0 HA SER A 46 6.855 -2.975 15.639 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.606 -4.085 17.885 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.023 -3.848 17.171 1.00 0.00 H new ATOM 0 HG SER A 46 5.305 -6.014 17.982 1.00 0.00 H new ATOM 701 N TYR A 47 8.299 -5.233 14.377 1.00 0.00 N ATOM 702 CA TYR A 47 9.597 -5.962 14.193 1.00 0.00 C ATOM 703 C TYR A 47 10.771 -4.969 14.117 1.00 0.00 C ATOM 704 O TYR A 47 11.895 -5.302 14.445 1.00 0.00 O ATOM 705 CB TYR A 47 9.448 -6.729 12.869 1.00 0.00 C ATOM 706 CG TYR A 47 9.441 -5.765 11.705 1.00 0.00 C ATOM 707 CD1 TYR A 47 10.647 -5.340 11.135 1.00 0.00 C ATOM 708 CD2 TYR A 47 8.226 -5.293 11.203 1.00 0.00 C ATOM 709 CE1 TYR A 47 10.634 -4.443 10.064 1.00 0.00 C ATOM 710 CE2 TYR A 47 8.213 -4.401 10.134 1.00 0.00 C ATOM 711 CZ TYR A 47 9.417 -3.972 9.563 1.00 0.00 C ATOM 712 OH TYR A 47 9.403 -3.089 8.506 1.00 0.00 O ATOM 0 H TYR A 47 7.739 -5.122 13.532 1.00 0.00 H new ATOM 0 HA TYR A 47 9.808 -6.631 15.027 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.267 -7.439 12.758 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.524 -7.307 12.877 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.586 -5.705 11.523 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.296 -5.620 11.644 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.563 -4.114 9.624 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.273 -4.040 9.745 1.00 0.00 H new ATOM 0 HH TYR A 47 8.680 -3.328 7.889 1.00 0.00 H new ATOM 722 N GLY A 48 10.516 -3.763 13.670 1.00 0.00 N ATOM 723 CA GLY A 48 11.599 -2.744 13.545 1.00 0.00 C ATOM 724 C GLY A 48 11.334 -1.919 12.284 1.00 0.00 C ATOM 725 O GLY A 48 12.110 -1.926 11.347 1.00 0.00 O ATOM 0 H GLY A 48 9.592 -3.440 13.384 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.618 -2.100 14.424 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.573 -3.230 13.484 1.00 0.00 H new ATOM 729 N ARG A 49 10.227 -1.220 12.257 1.00 0.00 N ATOM 730 CA ARG A 49 9.865 -0.398 11.072 1.00 0.00 C ATOM 731 C ARG A 49 10.762 0.838 10.968 1.00 0.00 C ATOM 732 O ARG A 49 11.123 1.450 11.956 1.00 0.00 O ATOM 733 CB ARG A 49 8.412 -0.002 11.320 1.00 0.00 C ATOM 734 CG ARG A 49 7.943 1.000 10.262 1.00 0.00 C ATOM 735 CD ARG A 49 6.832 1.872 10.851 1.00 0.00 C ATOM 736 NE ARG A 49 5.854 0.895 11.415 1.00 0.00 N ATOM 737 CZ ARG A 49 4.997 1.278 12.324 1.00 0.00 C ATOM 738 NH1 ARG A 49 4.002 2.061 11.995 1.00 0.00 N ATOM 739 NH2 ARG A 49 5.136 0.878 13.562 1.00 0.00 N ATOM 0 H ARG A 49 9.551 -1.187 13.020 1.00 0.00 H new ATOM 0 HA ARG A 49 9.994 -0.939 10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.778 -0.888 11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.312 0.435 12.313 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.777 1.623 9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.579 0.472 9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.217 2.539 11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.372 2.499 10.087 1.00 0.00 H new ATOM 0 HE ARG A 49 5.855 -0.072 11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.896 2.372 11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.333 2.360 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.913 0.268 13.817 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.468 1.176 14.272 1.00 0.00 H new ATOM 753 N LYS A 50 11.110 1.197 9.765 1.00 0.00 N ATOM 754 CA LYS A 50 11.977 2.390 9.532 1.00 0.00 C ATOM 755 C LYS A 50 11.266 3.400 8.618 1.00 0.00 C ATOM 756 O LYS A 50 11.745 4.500 8.417 1.00 0.00 O ATOM 757 CB LYS A 50 13.243 1.844 8.850 1.00 0.00 C ATOM 758 CG LYS A 50 12.865 0.913 7.687 1.00 0.00 C ATOM 759 CD LYS A 50 12.782 -0.532 8.195 1.00 0.00 C ATOM 760 CE LYS A 50 13.614 -1.448 7.297 1.00 0.00 C ATOM 761 NZ LYS A 50 15.023 -1.222 7.732 1.00 0.00 N ATOM 0 H LYS A 50 10.826 0.707 8.917 1.00 0.00 H new ATOM 0 HA LYS A 50 12.209 2.913 10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.850 2.670 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.850 1.302 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.908 1.216 7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.606 0.988 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.145 -0.587 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.744 -0.864 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.324 -2.492 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.479 -1.200 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.617 -1.031 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.060 -0.408 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.375 -2.069 8.221 1.00 0.00 H new ATOM 775 N LYS A 51 10.125 3.028 8.066 1.00 0.00 N ATOM 776 CA LYS A 51 9.357 3.942 7.156 1.00 0.00 C ATOM 777 C LYS A 51 10.205 4.397 5.962 1.00 0.00 C ATOM 778 O LYS A 51 11.387 4.120 5.873 1.00 0.00 O ATOM 779 CB LYS A 51 8.955 5.152 8.007 1.00 0.00 C ATOM 780 CG LYS A 51 7.833 4.755 8.972 1.00 0.00 C ATOM 781 CD LYS A 51 6.481 4.843 8.257 1.00 0.00 C ATOM 782 CE LYS A 51 6.216 3.536 7.500 1.00 0.00 C ATOM 783 NZ LYS A 51 4.740 3.347 7.590 1.00 0.00 N ATOM 0 H LYS A 51 9.691 2.116 8.212 1.00 0.00 H new ATOM 0 HA LYS A 51 8.490 3.427 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.816 5.518 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.623 5.967 7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.997 3.741 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.839 5.412 9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.686 5.024 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.478 5.684 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.545 3.604 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.752 2.700 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.522 2.674 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.285 4.260 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.382 2.975 6.687 1.00 0.00 H new ATOM 797 N ARG A 52 9.586 5.094 5.038 1.00 0.00 N ATOM 798 CA ARG A 52 10.299 5.597 3.822 1.00 0.00 C ATOM 799 C ARG A 52 10.870 4.437 2.998 1.00 0.00 C ATOM 800 O ARG A 52 11.617 4.647 2.060 1.00 0.00 O ATOM 801 CB ARG A 52 11.423 6.527 4.305 1.00 0.00 C ATOM 802 CG ARG A 52 11.057 7.240 5.622 1.00 0.00 C ATOM 803 CD ARG A 52 9.645 7.854 5.563 1.00 0.00 C ATOM 804 NE ARG A 52 9.589 8.581 4.266 1.00 0.00 N ATOM 805 CZ ARG A 52 9.992 9.822 4.187 1.00 0.00 C ATOM 806 NH1 ARG A 52 9.146 10.796 4.400 1.00 0.00 N ATOM 807 NH2 ARG A 52 11.240 10.088 3.897 1.00 0.00 N ATOM 0 H ARG A 52 8.597 5.340 5.078 1.00 0.00 H new ATOM 0 HA ARG A 52 9.608 6.134 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.336 5.949 4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.633 7.271 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.111 6.530 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.787 8.024 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.877 7.082 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.474 8.530 6.401 1.00 0.00 H new ATOM 0 HE ARG A 52 9.234 8.109 3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.174 10.587 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.458 11.765 4.339 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.899 9.327 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.554 11.057 3.835 1.00 0.00 H new ATOM 821 N ARG A 53 10.486 3.221 3.306 1.00 0.00 N ATOM 822 CA ARG A 53 10.963 2.060 2.503 1.00 0.00 C ATOM 823 C ARG A 53 10.093 1.953 1.243 1.00 0.00 C ATOM 824 O ARG A 53 10.247 1.055 0.436 1.00 0.00 O ATOM 825 CB ARG A 53 10.787 0.840 3.416 1.00 0.00 C ATOM 826 CG ARG A 53 11.534 1.046 4.744 1.00 0.00 C ATOM 827 CD ARG A 53 12.877 1.746 4.502 1.00 0.00 C ATOM 828 NE ARG A 53 13.761 0.675 3.954 1.00 0.00 N ATOM 829 CZ ARG A 53 14.788 0.991 3.211 1.00 0.00 C ATOM 830 NH1 ARG A 53 14.646 1.103 1.915 1.00 0.00 N ATOM 831 NH2 ARG A 53 15.955 1.196 3.764 1.00 0.00 N ATOM 0 H ARG A 53 9.863 2.987 4.079 1.00 0.00 H new ATOM 0 HA ARG A 53 12.000 2.149 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.727 0.674 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.163 -0.053 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.924 1.642 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.701 0.083 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.773 2.573 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.281 2.161 5.426 1.00 0.00 H new ATOM 0 HE ARG A 53 13.563 -0.304 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.734 0.944 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.447 1.350 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.063 1.109 4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.758 1.443 3.185 1.00 0.00 H new ATOM 845 N GLN A 54 9.187 2.894 1.076 1.00 0.00 N ATOM 846 CA GLN A 54 8.294 2.921 -0.110 1.00 0.00 C ATOM 847 C GLN A 54 9.122 3.203 -1.364 1.00 0.00 C ATOM 848 O GLN A 54 8.974 2.545 -2.374 1.00 0.00 O ATOM 849 CB GLN A 54 7.345 4.095 0.175 1.00 0.00 C ATOM 850 CG GLN A 54 5.983 3.570 0.635 1.00 0.00 C ATOM 851 CD GLN A 54 4.991 4.733 0.733 1.00 0.00 C ATOM 852 OE1 GLN A 54 4.057 4.817 -0.040 1.00 0.00 O ATOM 853 NE2 GLN A 54 5.155 5.643 1.657 1.00 0.00 N ATOM 0 H GLN A 54 9.034 3.658 1.734 1.00 0.00 H new ATOM 0 HA GLN A 54 7.764 1.983 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.773 4.741 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.225 4.702 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.614 2.822 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.079 3.078 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.938 5.575 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.500 6.421 1.728 1.00 0.00 H new ATOM 862 N ARG A 55 9.995 4.189 -1.289 1.00 0.00 N ATOM 863 CA ARG A 55 10.865 4.565 -2.458 1.00 0.00 C ATOM 864 C ARG A 55 10.029 5.107 -3.634 1.00 0.00 C ATOM 865 O ARG A 55 10.556 5.375 -4.697 1.00 0.00 O ATOM 866 CB ARG A 55 11.614 3.287 -2.861 1.00 0.00 C ATOM 867 CG ARG A 55 12.448 2.770 -1.680 1.00 0.00 C ATOM 868 CD ARG A 55 13.486 3.818 -1.264 1.00 0.00 C ATOM 869 NE ARG A 55 14.551 3.729 -2.306 1.00 0.00 N ATOM 870 CZ ARG A 55 15.407 4.706 -2.450 1.00 0.00 C ATOM 871 NH1 ARG A 55 15.093 5.748 -3.175 1.00 0.00 N ATOM 872 NH2 ARG A 55 16.576 4.641 -1.868 1.00 0.00 N ATOM 0 H ARG A 55 10.143 4.757 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 55 11.556 5.363 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.903 2.523 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.263 3.490 -3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.795 2.540 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.949 1.842 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.049 4.816 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.884 3.609 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 55 14.611 2.906 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.180 5.798 -3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.761 6.511 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 55 16.819 3.828 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.245 5.403 -1.980 1.00 0.00 H new ATOM 886 N ARG A 56 8.742 5.294 -3.447 1.00 0.00 N ATOM 887 CA ARG A 56 7.886 5.841 -4.539 1.00 0.00 C ATOM 888 C ARG A 56 7.081 7.026 -3.995 1.00 0.00 C ATOM 889 O ARG A 56 5.932 7.224 -4.339 1.00 0.00 O ATOM 890 CB ARG A 56 6.958 4.695 -4.954 1.00 0.00 C ATOM 891 CG ARG A 56 7.694 3.766 -5.924 1.00 0.00 C ATOM 892 CD ARG A 56 8.391 2.665 -5.124 1.00 0.00 C ATOM 893 NE ARG A 56 8.787 1.644 -6.138 1.00 0.00 N ATOM 894 CZ ARG A 56 9.864 0.922 -5.952 1.00 0.00 C ATOM 895 NH1 ARG A 56 9.961 0.149 -4.900 1.00 0.00 N ATOM 896 NH2 ARG A 56 10.842 0.976 -6.819 1.00 0.00 N ATOM 0 H ARG A 56 8.249 5.088 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 56 8.467 6.197 -5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.635 4.138 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.060 5.093 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.991 3.329 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.424 4.330 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.261 3.053 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.724 2.239 -4.374 1.00 0.00 H new ATOM 0 HE ARG A 56 8.220 1.509 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.198 0.109 -4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.800 -0.413 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.765 1.579 -7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.682 0.415 -6.676 1.00 0.00 H new ATOM 910 N ARG A 57 7.694 7.811 -3.141 1.00 0.00 N ATOM 911 CA ARG A 57 7.000 8.993 -2.550 1.00 0.00 C ATOM 912 C ARG A 57 6.534 9.977 -3.644 1.00 0.00 C ATOM 913 O ARG A 57 5.459 10.527 -3.536 1.00 0.00 O ATOM 914 CB ARG A 57 8.036 9.646 -1.630 1.00 0.00 C ATOM 915 CG ARG A 57 7.339 10.623 -0.680 1.00 0.00 C ATOM 916 CD ARG A 57 6.479 9.842 0.317 1.00 0.00 C ATOM 917 NE ARG A 57 6.312 10.772 1.472 1.00 0.00 N ATOM 918 CZ ARG A 57 5.495 10.467 2.442 1.00 0.00 C ATOM 919 NH1 ARG A 57 5.898 9.691 3.415 1.00 0.00 N ATOM 920 NH2 ARG A 57 4.275 10.941 2.440 1.00 0.00 N ATOM 0 H ARG A 57 8.655 7.679 -2.827 1.00 0.00 H new ATOM 0 HA ARG A 57 6.100 8.701 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.563 8.881 -1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.784 10.172 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.080 11.220 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.718 11.317 -1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.517 9.570 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.965 8.915 0.620 1.00 0.00 H new ATOM 0 HE ARG A 57 6.837 11.646 1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.850 9.325 3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.260 9.452 4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.965 11.548 1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.634 10.704 3.198 1.00 0.00 H new ATOM 934 N PRO A 58 7.343 10.172 -4.668 1.00 0.00 N ATOM 935 CA PRO A 58 6.949 11.095 -5.760 1.00 0.00 C ATOM 936 C PRO A 58 5.946 10.422 -6.718 1.00 0.00 C ATOM 937 O PRO A 58 5.242 11.093 -7.449 1.00 0.00 O ATOM 938 CB PRO A 58 8.261 11.394 -6.475 1.00 0.00 C ATOM 939 CG PRO A 58 9.140 10.214 -6.189 1.00 0.00 C ATOM 940 CD PRO A 58 8.673 9.582 -4.901 1.00 0.00 C ATOM 0 HA PRO A 58 6.453 11.993 -5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.106 11.520 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.709 12.317 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.089 9.495 -7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.181 10.527 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.617 8.497 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.355 9.802 -4.080 1.00 0.00 H new ATOM 948 N SER A 59 5.880 9.105 -6.729 1.00 0.00 N ATOM 949 CA SER A 59 4.929 8.406 -7.648 1.00 0.00 C ATOM 950 C SER A 59 3.596 8.117 -6.942 1.00 0.00 C ATOM 951 O SER A 59 3.545 7.383 -5.976 1.00 0.00 O ATOM 952 CB SER A 59 5.632 7.098 -8.027 1.00 0.00 C ATOM 953 OG SER A 59 4.835 6.380 -8.958 1.00 0.00 O ATOM 0 H SER A 59 6.444 8.491 -6.141 1.00 0.00 H new ATOM 0 HA SER A 59 4.690 9.013 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.610 7.311 -8.459 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.802 6.493 -7.136 1.00 0.00 H new ATOM 0 HG SER A 59 4.295 5.715 -8.482 1.00 0.00 H new ATOM 959 N GLN A 60 2.518 8.679 -7.441 1.00 0.00 N ATOM 960 CA GLN A 60 1.171 8.442 -6.834 1.00 0.00 C ATOM 961 C GLN A 60 0.072 8.780 -7.842 1.00 0.00 C ATOM 962 O GLN A 60 -0.910 9.423 -7.514 1.00 0.00 O ATOM 963 CB GLN A 60 1.076 9.374 -5.629 1.00 0.00 C ATOM 964 CG GLN A 60 1.472 8.613 -4.372 1.00 0.00 C ATOM 965 CD GLN A 60 2.749 9.214 -3.784 1.00 0.00 C ATOM 966 OE1 GLN A 60 3.663 8.495 -3.433 1.00 0.00 O ATOM 967 NE2 GLN A 60 2.849 10.511 -3.653 1.00 0.00 N ATOM 0 H GLN A 60 2.517 9.298 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 60 1.045 7.399 -6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.730 10.235 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.061 9.758 -5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.667 8.659 -3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.629 7.560 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.081 11.114 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.695 10.920 -3.256 1.00 0.00 H new ATOM 976 N GLY A 61 0.221 8.339 -9.060 1.00 0.00 N ATOM 977 CA GLY A 61 -0.823 8.614 -10.090 1.00 0.00 C ATOM 978 C GLY A 61 -1.968 7.642 -9.844 1.00 0.00 C ATOM 979 O GLY A 61 -2.114 6.651 -10.536 1.00 0.00 O ATOM 0 H GLY A 61 1.022 7.799 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.171 9.644 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.417 8.484 -11.093 1.00 0.00 H new ATOM 983 N GLY A 62 -2.754 7.898 -8.828 1.00 0.00 N ATOM 984 CA GLY A 62 -3.860 6.969 -8.489 1.00 0.00 C ATOM 985 C GLY A 62 -3.231 5.655 -8.028 1.00 0.00 C ATOM 986 O GLY A 62 -3.763 4.587 -8.264 1.00 0.00 O ATOM 0 H GLY A 62 -2.672 8.714 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.487 7.390 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.501 6.804 -9.355 1.00 0.00 H new ATOM 990 N GLN A 63 -2.091 5.729 -7.372 1.00 0.00 N ATOM 991 CA GLN A 63 -1.423 4.497 -6.900 1.00 0.00 C ATOM 992 C GLN A 63 -2.074 4.001 -5.620 1.00 0.00 C ATOM 993 O GLN A 63 -1.713 2.958 -5.120 1.00 0.00 O ATOM 994 CB GLN A 63 0.014 4.933 -6.624 1.00 0.00 C ATOM 995 CG GLN A 63 0.763 5.072 -7.946 1.00 0.00 C ATOM 996 CD GLN A 63 1.669 3.854 -8.159 1.00 0.00 C ATOM 997 OE1 GLN A 63 2.835 4.001 -8.469 1.00 0.00 O ATOM 998 NE2 GLN A 63 1.182 2.649 -8.008 1.00 0.00 N ATOM 0 H GLN A 63 -1.604 6.597 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.486 3.684 -7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.021 5.882 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.512 4.202 -5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.054 5.158 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.359 5.984 -7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.204 2.523 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.781 1.835 -8.150 1.00 0.00 H new ATOM 1007 N THR A 64 -3.000 4.758 -5.062 1.00 0.00 N ATOM 1008 CA THR A 64 -3.627 4.338 -3.772 1.00 0.00 C ATOM 1009 C THR A 64 -2.496 3.860 -2.860 1.00 0.00 C ATOM 1010 O THR A 64 -2.535 2.796 -2.276 1.00 0.00 O ATOM 1011 CB THR A 64 -4.589 3.206 -4.134 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.588 3.694 -5.020 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.252 2.663 -2.868 1.00 0.00 C ATOM 0 H THR A 64 -3.342 5.639 -5.445 1.00 0.00 H new ATOM 0 HA THR A 64 -4.170 5.129 -3.256 1.00 0.00 H new ATOM 0 HB THR A 64 -4.031 2.405 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.004 2.942 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.936 1.857 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.487 2.282 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.806 3.462 -2.376 1.00 0.00 H new ATOM 1021 N HIS A 65 -1.459 4.656 -2.801 1.00 0.00 N ATOM 1022 CA HIS A 65 -0.244 4.316 -2.005 1.00 0.00 C ATOM 1023 C HIS A 65 -0.458 4.530 -0.478 1.00 0.00 C ATOM 1024 O HIS A 65 0.478 4.468 0.294 1.00 0.00 O ATOM 1025 CB HIS A 65 0.823 5.246 -2.598 1.00 0.00 C ATOM 1026 CG HIS A 65 1.694 4.526 -3.603 1.00 0.00 C ATOM 1027 ND1 HIS A 65 2.376 5.209 -4.596 1.00 0.00 N ATOM 1028 CD2 HIS A 65 1.994 3.200 -3.800 1.00 0.00 C ATOM 1029 CE1 HIS A 65 3.037 4.307 -5.336 1.00 0.00 C ATOM 1030 NE2 HIS A 65 2.842 3.066 -4.893 1.00 0.00 N ATOM 0 H HIS A 65 -1.404 5.552 -3.286 1.00 0.00 H new ATOM 0 HA HIS A 65 0.034 3.264 -2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.339 6.096 -3.079 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.445 5.645 -1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.626 2.384 -3.196 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.653 4.556 -6.188 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.231 2.203 -5.274 1.00 0.00 H new ATOM 1038 N GLN A 66 -1.703 4.702 -0.051 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.064 4.837 1.414 1.00 0.00 C ATOM 1040 C GLN A 66 -1.499 6.082 2.114 1.00 0.00 C ATOM 1041 O GLN A 66 -2.237 6.972 2.478 1.00 0.00 O ATOM 1042 CB GLN A 66 -1.531 3.573 2.098 1.00 0.00 C ATOM 1043 CG GLN A 66 -2.306 2.342 1.621 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.359 1.434 0.839 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -0.874 0.447 1.357 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.073 1.728 -0.397 1.00 0.00 N ATOM 0 H GLN A 66 -2.506 4.756 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.145 4.954 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.471 3.451 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.622 3.671 3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.724 1.806 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.144 2.644 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.480 2.556 -0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.442 1.130 -0.931 1.00 0.00 H new ATOM 1055 N ASP A 67 -0.220 6.117 2.371 1.00 0.00 N ATOM 1056 CA ASP A 67 0.377 7.267 3.127 1.00 0.00 C ATOM 1057 C ASP A 67 0.456 8.569 2.302 1.00 0.00 C ATOM 1058 O ASP A 67 0.218 9.634 2.842 1.00 0.00 O ATOM 1059 CB ASP A 67 1.780 6.779 3.497 1.00 0.00 C ATOM 1060 CG ASP A 67 2.484 7.821 4.372 1.00 0.00 C ATOM 1061 OD1 ASP A 67 3.136 8.685 3.817 1.00 0.00 O ATOM 1062 OD2 ASP A 67 2.358 7.733 5.581 1.00 0.00 O ATOM 0 H ASP A 67 0.445 5.396 2.090 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.239 7.528 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.715 5.830 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.361 6.599 2.593 1.00 0.00 H new ATOM 1067 N PRO A 68 0.809 8.467 1.043 1.00 0.00 N ATOM 1068 CA PRO A 68 0.933 9.682 0.200 1.00 0.00 C ATOM 1069 C PRO A 68 -0.429 10.210 -0.293 1.00 0.00 C ATOM 1070 O PRO A 68 -0.600 11.407 -0.424 1.00 0.00 O ATOM 1071 CB PRO A 68 1.779 9.220 -0.972 1.00 0.00 C ATOM 1072 CG PRO A 68 1.550 7.745 -1.058 1.00 0.00 C ATOM 1073 CD PRO A 68 1.131 7.247 0.299 1.00 0.00 C ATOM 0 HA PRO A 68 1.368 10.512 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.482 9.720 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.833 9.447 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.780 7.524 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.459 7.239 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.270 6.582 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.930 6.685 0.782 1.00 0.00 H new ATOM 1081 N ILE A 69 -1.394 9.358 -0.590 1.00 0.00 N ATOM 1082 CA ILE A 69 -2.709 9.890 -1.092 1.00 0.00 C ATOM 1083 C ILE A 69 -3.904 9.441 -0.214 1.00 0.00 C ATOM 1084 O ILE A 69 -4.964 9.136 -0.729 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.833 9.383 -2.557 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -3.494 7.997 -2.644 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -1.446 9.298 -3.202 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -2.927 7.050 -1.584 1.00 0.00 C ATOM 0 H ILE A 69 -1.330 8.343 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.735 10.979 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.463 10.099 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.571 8.095 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.333 7.575 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.543 8.942 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.984 10.285 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.823 8.606 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.412 6.077 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.854 6.935 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.111 7.462 -0.592 1.00 0.00 H new ATOM 1100 N PRO A 70 -3.717 9.446 1.095 1.00 0.00 N ATOM 1101 CA PRO A 70 -4.820 9.059 2.018 1.00 0.00 C ATOM 1102 C PRO A 70 -5.909 10.141 2.031 1.00 0.00 C ATOM 1103 O PRO A 70 -6.979 9.952 2.579 1.00 0.00 O ATOM 1104 CB PRO A 70 -4.142 8.978 3.382 1.00 0.00 C ATOM 1105 CG PRO A 70 -2.958 9.883 3.260 1.00 0.00 C ATOM 1106 CD PRO A 70 -2.496 9.806 1.829 1.00 0.00 C ATOM 0 HA PRO A 70 -5.306 8.127 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.811 9.303 4.179 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.840 7.957 3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.225 10.906 3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.164 9.574 3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.087 10.757 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.714 9.058 1.699 1.00 0.00 H new ATOM 1114 N LYS A 71 -5.632 11.277 1.438 1.00 0.00 N ATOM 1115 CA LYS A 71 -6.631 12.387 1.414 1.00 0.00 C ATOM 1116 C LYS A 71 -7.727 12.115 0.372 1.00 0.00 C ATOM 1117 O LYS A 71 -8.885 12.412 0.597 1.00 0.00 O ATOM 1118 CB LYS A 71 -5.833 13.655 1.058 1.00 0.00 C ATOM 1119 CG LYS A 71 -5.075 13.467 -0.267 1.00 0.00 C ATOM 1120 CD LYS A 71 -3.641 13.983 -0.141 1.00 0.00 C ATOM 1121 CE LYS A 71 -2.874 13.144 0.887 1.00 0.00 C ATOM 1122 NZ LYS A 71 -1.550 13.823 1.004 1.00 0.00 N ATOM 0 H LYS A 71 -4.751 11.482 0.967 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.139 12.491 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.510 14.506 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.127 13.883 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.065 12.412 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.590 13.999 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.141 13.935 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.647 15.030 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.393 13.117 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.764 12.112 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.817 13.232 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.588 14.744 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.321 13.967 2.008 1.00 0.00 H new ATOM 1136 N GLN A 72 -7.376 11.565 -0.771 1.00 0.00 N ATOM 1137 CA GLN A 72 -8.400 11.294 -1.822 1.00 0.00 C ATOM 1138 C GLN A 72 -7.853 10.303 -2.854 1.00 0.00 C ATOM 1139 O GLN A 72 -6.668 10.027 -2.883 1.00 0.00 O ATOM 1140 CB GLN A 72 -8.683 12.652 -2.497 1.00 0.00 C ATOM 1141 CG GLN A 72 -7.501 13.622 -2.324 1.00 0.00 C ATOM 1142 CD GLN A 72 -6.456 13.404 -3.428 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -6.456 14.116 -4.411 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -5.548 12.457 -3.310 1.00 0.00 N ATOM 0 H GLN A 72 -6.424 11.294 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.303 10.858 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.878 12.499 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.583 13.093 -2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.860 14.651 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.042 13.473 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.543 11.855 -2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.850 12.325 -4.042 1.00 0.00 H new ATOM 1153 N PRO A 73 -8.736 9.815 -3.690 1.00 0.00 N ATOM 1154 CA PRO A 73 -8.325 8.872 -4.757 1.00 0.00 C ATOM 1155 C PRO A 73 -7.443 9.616 -5.771 1.00 0.00 C ATOM 1156 O PRO A 73 -6.382 9.149 -6.143 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.648 8.433 -5.377 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.588 9.554 -5.067 1.00 0.00 C ATOM 1159 CD PRO A 73 -10.180 10.092 -3.723 1.00 0.00 C ATOM 0 HA PRO A 73 -7.743 8.021 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.552 8.279 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.995 7.492 -4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.531 10.331 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.619 9.202 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.390 11.158 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.707 9.593 -2.910 1.00 0.00 H new ATOM 1167 N SER A 74 -7.872 10.791 -6.186 1.00 0.00 N ATOM 1168 CA SER A 74 -7.076 11.618 -7.147 1.00 0.00 C ATOM 1169 C SER A 74 -6.663 10.808 -8.381 1.00 0.00 C ATOM 1170 O SER A 74 -5.537 10.887 -8.840 1.00 0.00 O ATOM 1171 CB SER A 74 -5.855 12.071 -6.340 1.00 0.00 C ATOM 1172 OG SER A 74 -5.433 13.348 -6.794 1.00 0.00 O ATOM 0 H SER A 74 -8.753 11.214 -5.893 1.00 0.00 H new ATOM 0 HA SER A 74 -7.649 12.459 -7.537 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.103 12.114 -5.279 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.046 11.349 -6.449 1.00 0.00 H new ATOM 0 HG SER A 74 -5.651 14.024 -6.119 1.00 0.00 H new ATOM 1178 N SER A 75 -7.582 10.045 -8.918 1.00 0.00 N ATOM 1179 CA SER A 75 -7.301 9.206 -10.130 1.00 0.00 C ATOM 1180 C SER A 75 -8.478 8.253 -10.385 1.00 0.00 C ATOM 1181 O SER A 75 -8.768 7.888 -11.509 1.00 0.00 O ATOM 1182 CB SER A 75 -6.044 8.399 -9.795 1.00 0.00 C ATOM 1183 OG SER A 75 -5.315 8.144 -10.987 1.00 0.00 O ATOM 0 H SER A 75 -8.535 9.965 -8.562 1.00 0.00 H new ATOM 0 HA SER A 75 -7.164 9.816 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.424 8.949 -9.087 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.319 7.459 -9.316 1.00 0.00 H new ATOM 0 HG SER A 75 -4.376 8.394 -10.856 1.00 0.00 H new ATOM 1189 N GLN A 76 -9.153 7.856 -9.338 1.00 0.00 N ATOM 1190 CA GLN A 76 -10.318 6.932 -9.472 1.00 0.00 C ATOM 1191 C GLN A 76 -11.574 7.691 -9.953 1.00 0.00 C ATOM 1192 O GLN A 76 -12.329 7.171 -10.749 1.00 0.00 O ATOM 1193 CB GLN A 76 -10.539 6.375 -8.060 1.00 0.00 C ATOM 1194 CG GLN A 76 -9.494 5.295 -7.755 1.00 0.00 C ATOM 1195 CD GLN A 76 -8.518 5.803 -6.690 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -8.679 5.523 -5.518 1.00 0.00 O ATOM 1197 NE2 GLN A 76 -7.503 6.538 -7.052 1.00 0.00 N ATOM 0 H GLN A 76 -8.943 8.138 -8.381 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.132 6.148 -10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.468 7.179 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.542 5.956 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.987 4.387 -7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.951 5.034 -8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.368 6.773 -8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.844 6.878 -6.352 1.00 0.00 H new ATOM 1206 N PRO A 77 -11.779 8.898 -9.461 1.00 0.00 N ATOM 1207 CA PRO A 77 -12.966 9.672 -9.869 1.00 0.00 C ATOM 1208 C PRO A 77 -12.683 10.511 -11.126 1.00 0.00 C ATOM 1209 O PRO A 77 -13.511 11.303 -11.533 1.00 0.00 O ATOM 1210 CB PRO A 77 -13.219 10.576 -8.665 1.00 0.00 C ATOM 1211 CG PRO A 77 -11.890 10.716 -7.978 1.00 0.00 C ATOM 1212 CD PRO A 77 -10.955 9.655 -8.509 1.00 0.00 C ATOM 0 HA PRO A 77 -13.816 9.039 -10.125 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -13.603 11.547 -8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.962 10.140 -7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.475 11.708 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -12.009 10.609 -6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.086 10.097 -8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.581 9.016 -7.709 1.00 0.00 H new ATOM 1220 N ARG A 78 -11.525 10.361 -11.742 1.00 0.00 N ATOM 1221 CA ARG A 78 -11.225 11.184 -12.959 1.00 0.00 C ATOM 1222 C ARG A 78 -9.896 10.785 -13.634 1.00 0.00 C ATOM 1223 O ARG A 78 -9.760 10.891 -14.837 1.00 0.00 O ATOM 1224 CB ARG A 78 -11.122 12.622 -12.433 1.00 0.00 C ATOM 1225 CG ARG A 78 -10.029 12.708 -11.353 1.00 0.00 C ATOM 1226 CD ARG A 78 -10.080 14.083 -10.675 1.00 0.00 C ATOM 1227 NE ARG A 78 -9.529 15.025 -11.696 1.00 0.00 N ATOM 1228 CZ ARG A 78 -9.279 16.266 -11.373 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -10.262 17.071 -11.060 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -8.046 16.703 -11.367 1.00 0.00 N ATOM 0 H ARG A 78 -10.789 9.715 -11.457 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.996 11.047 -13.718 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.890 13.302 -13.252 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.080 12.936 -12.019 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.173 11.921 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.048 12.549 -11.801 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.099 14.351 -10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.486 14.097 -9.761 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.348 14.699 -12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.223 16.730 -11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.067 18.040 -10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.281 16.075 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.849 17.672 -11.115 1.00 0.00 H new ATOM 1244 N GLY A 79 -8.909 10.371 -12.872 1.00 0.00 N ATOM 1245 CA GLY A 79 -7.583 10.011 -13.470 1.00 0.00 C ATOM 1246 C GLY A 79 -7.657 8.718 -14.290 1.00 0.00 C ATOM 1247 O GLY A 79 -8.558 8.517 -15.083 1.00 0.00 O ATOM 0 H GLY A 79 -8.966 10.267 -11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.239 10.826 -14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.846 9.895 -12.675 1.00 0.00 H new ATOM 1251 N ASP A 80 -6.692 7.848 -14.115 1.00 0.00 N ATOM 1252 CA ASP A 80 -6.667 6.568 -14.892 1.00 0.00 C ATOM 1253 C ASP A 80 -7.724 5.588 -14.371 1.00 0.00 C ATOM 1254 O ASP A 80 -8.102 5.640 -13.216 1.00 0.00 O ATOM 1255 CB ASP A 80 -5.262 5.995 -14.674 1.00 0.00 C ATOM 1256 CG ASP A 80 -4.258 6.737 -15.561 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -3.766 7.769 -15.130 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -3.998 6.260 -16.654 1.00 0.00 O ATOM 0 H ASP A 80 -5.916 7.970 -13.464 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.888 6.735 -15.946 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.978 6.093 -13.626 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.252 4.931 -14.909 1.00 0.00 H new ATOM 1263 N PRO A 81 -8.163 4.717 -15.251 1.00 0.00 N ATOM 1264 CA PRO A 81 -9.186 3.710 -14.880 1.00 0.00 C ATOM 1265 C PRO A 81 -8.596 2.678 -13.912 1.00 0.00 C ATOM 1266 O PRO A 81 -7.533 2.133 -14.141 1.00 0.00 O ATOM 1267 CB PRO A 81 -9.563 3.063 -16.211 1.00 0.00 C ATOM 1268 CG PRO A 81 -8.365 3.278 -17.080 1.00 0.00 C ATOM 1269 CD PRO A 81 -7.754 4.591 -16.659 1.00 0.00 C ATOM 0 HA PRO A 81 -10.046 4.144 -14.371 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.781 2.002 -16.090 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.453 3.524 -16.639 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.650 2.463 -16.962 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.649 3.303 -18.132 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.669 4.582 -16.764 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.126 5.420 -17.262 1.00 0.00 H new ATOM 1277 N THR A 82 -9.287 2.411 -12.835 1.00 0.00 N ATOM 1278 CA THR A 82 -8.789 1.416 -11.838 1.00 0.00 C ATOM 1279 C THR A 82 -9.788 0.259 -11.685 1.00 0.00 C ATOM 1280 O THR A 82 -9.422 -0.831 -11.288 1.00 0.00 O ATOM 1281 CB THR A 82 -8.636 2.172 -10.507 1.00 0.00 C ATOM 1282 OG1 THR A 82 -9.433 3.346 -10.510 1.00 0.00 O ATOM 1283 CG2 THR A 82 -7.169 2.557 -10.306 1.00 0.00 C ATOM 0 H THR A 82 -10.181 2.842 -12.601 1.00 0.00 H new ATOM 0 HA THR A 82 -7.841 0.983 -12.157 1.00 0.00 H new ATOM 0 HB THR A 82 -8.965 1.524 -9.695 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.879 4.117 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.059 3.093 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.556 1.656 -10.285 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.845 3.197 -11.127 1.00 0.00 H new ATOM 1291 N GLY A 83 -11.046 0.487 -11.996 1.00 0.00 N ATOM 1292 CA GLY A 83 -12.066 -0.594 -11.866 1.00 0.00 C ATOM 1293 C GLY A 83 -13.452 0.035 -11.669 1.00 0.00 C ATOM 1294 O GLY A 83 -14.069 0.480 -12.617 1.00 0.00 O ATOM 0 H GLY A 83 -11.405 1.379 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.063 -1.222 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.823 -1.239 -11.021 1.00 0.00 H new ATOM 1298 N PRO A 84 -13.890 0.054 -10.433 1.00 0.00 N ATOM 1299 CA PRO A 84 -15.197 0.626 -10.063 1.00 0.00 C ATOM 1300 C PRO A 84 -14.989 2.032 -9.484 1.00 0.00 C ATOM 1301 O PRO A 84 -15.697 2.472 -8.598 1.00 0.00 O ATOM 1302 CB PRO A 84 -15.667 -0.342 -8.980 1.00 0.00 C ATOM 1303 CG PRO A 84 -14.396 -0.945 -8.415 1.00 0.00 C ATOM 1304 CD PRO A 84 -13.226 -0.453 -9.247 1.00 0.00 C ATOM 0 HA PRO A 84 -15.902 0.731 -10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.236 0.176 -8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.319 -1.111 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.269 -0.655 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.448 -2.033 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.659 0.323 -8.734 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.527 -1.256 -9.483 1.00 0.00 H new ATOM 1312 N LYS A 85 -14.004 2.720 -9.988 1.00 0.00 N ATOM 1313 CA LYS A 85 -13.683 4.096 -9.502 1.00 0.00 C ATOM 1314 C LYS A 85 -14.560 5.140 -10.200 1.00 0.00 C ATOM 1315 O LYS A 85 -14.645 6.274 -9.769 1.00 0.00 O ATOM 1316 CB LYS A 85 -12.218 4.304 -9.898 1.00 0.00 C ATOM 1317 CG LYS A 85 -12.024 3.950 -11.382 1.00 0.00 C ATOM 1318 CD LYS A 85 -11.140 4.993 -12.076 1.00 0.00 C ATOM 1319 CE LYS A 85 -11.839 5.510 -13.337 1.00 0.00 C ATOM 1320 NZ LYS A 85 -11.085 6.747 -13.698 1.00 0.00 N ATOM 0 H LYS A 85 -13.394 2.382 -10.732 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.857 4.203 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.927 5.339 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.572 3.681 -9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.568 2.964 -11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.993 3.899 -11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.937 5.821 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.178 4.552 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.804 4.774 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.891 5.726 -13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.255 6.978 -14.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.406 7.536 -13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.068 6.590 -13.547 1.00 0.00 H new ATOM 1334 N GLU A 86 -15.198 4.772 -11.280 1.00 0.00 N ATOM 1335 CA GLU A 86 -16.051 5.745 -12.017 1.00 0.00 C ATOM 1336 C GLU A 86 -17.356 6.003 -11.254 1.00 0.00 C ATOM 1337 O GLU A 86 -18.062 5.045 -10.975 1.00 0.00 O ATOM 1338 CB GLU A 86 -16.331 5.074 -13.366 1.00 0.00 C ATOM 1339 CG GLU A 86 -15.004 4.743 -14.057 1.00 0.00 C ATOM 1340 CD GLU A 86 -15.268 4.328 -15.507 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -15.506 3.152 -15.733 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -15.226 5.192 -16.367 1.00 0.00 O ATOM 1343 OXT GLU A 86 -17.627 7.156 -10.958 1.00 0.00 O ATOM 0 H GLU A 86 -15.164 3.836 -11.683 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.567 6.714 -12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.913 4.164 -13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.927 5.734 -13.996 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.343 5.609 -14.031 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.496 3.939 -13.525 1.00 0.00 H new TER 1350 GLU A 86