USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 TYR OH : rot 165:sc= -0.173 USER MOD Set 2.1: A 53 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 36 SER OG : rot 171:sc= 2.29 USER MOD Set 3.2: A 40 TYR OH : rot -121:sc= 1.03 USER MOD Set 4.1: A 17 ASN :FLIP amide:sc= -1.81 F(o=-8.5,f=-3.3) USER MOD Set 4.2: A 22 GLN :FLIP amide:sc= -1.5 F(o=-8.5,f=-3.3) USER MOD Single : A 26 GLN : amide:sc=-0.00273 K(o=-0.0027,f=-1) USER MOD Single : A 32 TYR OH : rot 106:sc= -2.15! USER MOD Single : A 33 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.1!) USER MOD Single : A 37 ASN : amide:sc= -2.25! C(o=-2.2!,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -129:sc= -0.329 USER MOD Single : A 49 SER OG : rot 177:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 165:sc= 0.208 USER MOD Single : A 63 GLN : amide:sc= -9.26! C(o=-9.3!,f=-13!) USER MOD Single : A 69 THR OG1 : rot 47:sc= 0.354! USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -2.88! USER MOD Single : A 75 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 79 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.8!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -100:sc= -4.8! USER MOD Single : A 106 ASN :FLIP amide:sc= 0.718 F(o=-0.04,f=0.72) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.358 F(o=-2.1,f=-0.36) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 50:sc= 0.878 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -13.607 7.880 16.709 1.00 0.00 N ATOM 2 CA GLY A 9 -13.146 9.072 17.476 1.00 0.00 C ATOM 3 C GLY A 9 -11.804 9.550 16.917 1.00 0.00 C ATOM 4 O GLY A 9 -11.668 9.811 15.739 1.00 0.00 O ATOM 0 HA2 GLY A 9 -13.885 9.870 17.408 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.044 8.821 18.532 1.00 0.00 H new ATOM 7 N ALA A 10 -10.810 9.667 17.755 1.00 0.00 N ATOM 8 CA ALA A 10 -9.479 10.128 17.273 1.00 0.00 C ATOM 9 C ALA A 10 -8.823 9.020 16.446 1.00 0.00 C ATOM 10 O ALA A 10 -9.051 7.850 16.684 1.00 0.00 O ATOM 11 CB ALA A 10 -8.589 10.462 18.472 1.00 0.00 C ATOM 0 H ALA A 10 -10.863 9.463 18.753 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.606 11.017 16.655 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.615 10.799 18.119 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.055 11.251 19.062 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.463 9.573 19.090 1.00 0.00 H new ATOM 17 N PRO A 11 -8.025 9.428 15.494 1.00 0.00 N ATOM 18 CA PRO A 11 -7.294 8.501 14.581 1.00 0.00 C ATOM 19 C PRO A 11 -6.020 7.979 15.252 1.00 0.00 C ATOM 20 O PRO A 11 -5.361 8.687 15.988 1.00 0.00 O ATOM 21 CB PRO A 11 -6.961 9.388 13.388 1.00 0.00 C ATOM 22 CG PRO A 11 -6.957 10.830 13.889 1.00 0.00 C ATOM 23 CD PRO A 11 -7.747 10.869 15.202 1.00 0.00 C ATOM 0 HA PRO A 11 -7.869 7.616 14.307 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.990 9.123 12.970 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.696 9.258 12.594 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.936 11.177 14.047 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.409 11.493 13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.171 11.335 16.002 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.669 11.441 15.097 1.00 0.00 H new ATOM 31 N VAL A 12 -5.672 6.745 15.010 1.00 0.00 N ATOM 32 CA VAL A 12 -4.458 6.172 15.627 1.00 0.00 C ATOM 33 C VAL A 12 -3.416 5.941 14.526 1.00 0.00 C ATOM 34 O VAL A 12 -3.586 5.061 13.712 1.00 0.00 O ATOM 35 CB VAL A 12 -4.834 4.822 16.246 1.00 0.00 C ATOM 36 CG1 VAL A 12 -3.562 4.080 16.628 1.00 0.00 C ATOM 37 CG2 VAL A 12 -5.721 5.007 17.489 1.00 0.00 C ATOM 0 H VAL A 12 -6.188 6.108 14.403 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.055 6.841 16.387 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.399 4.247 15.513 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.821 3.118 17.070 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.953 3.919 15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.999 4.671 17.350 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.971 4.031 17.906 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.184 5.594 18.235 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.637 5.527 17.208 1.00 0.00 H new ATOM 47 N PRO A 13 -2.368 6.728 14.523 1.00 0.00 N ATOM 48 CA PRO A 13 -1.286 6.605 13.499 1.00 0.00 C ATOM 49 C PRO A 13 -0.484 5.328 13.727 1.00 0.00 C ATOM 50 O PRO A 13 -0.407 4.814 14.824 1.00 0.00 O ATOM 51 CB PRO A 13 -0.443 7.856 13.719 1.00 0.00 C ATOM 52 CG PRO A 13 -0.702 8.309 15.147 1.00 0.00 C ATOM 53 CD PRO A 13 -2.102 7.817 15.523 1.00 0.00 C ATOM 0 HA PRO A 13 -1.657 6.536 12.476 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.615 7.642 13.566 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.716 8.637 13.009 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.047 7.898 15.824 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.640 9.394 15.225 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.135 7.440 16.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.841 8.616 15.454 1.00 0.00 H new ATOM 61 N VAL A 14 0.094 4.803 12.688 1.00 0.00 N ATOM 62 CA VAL A 14 0.873 3.545 12.822 1.00 0.00 C ATOM 63 C VAL A 14 2.007 3.736 13.824 1.00 0.00 C ATOM 64 O VAL A 14 2.414 4.839 14.130 1.00 0.00 O ATOM 65 CB VAL A 14 1.448 3.148 11.452 1.00 0.00 C ATOM 66 CG1 VAL A 14 2.690 3.991 11.136 1.00 0.00 C ATOM 67 CG2 VAL A 14 1.825 1.669 11.465 1.00 0.00 C ATOM 0 H VAL A 14 0.061 5.193 11.746 1.00 0.00 H new ATOM 0 HA VAL A 14 0.215 2.753 13.181 1.00 0.00 H new ATOM 0 HB VAL A 14 0.693 3.326 10.686 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.089 3.701 10.164 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.418 5.046 11.117 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.447 3.825 11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.232 1.389 10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.573 1.491 12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.939 1.069 11.673 1.00 0.00 H new ATOM 77 N ASP A 15 2.516 2.653 14.329 1.00 0.00 N ATOM 78 CA ASP A 15 3.634 2.728 15.316 1.00 0.00 C ATOM 79 C ASP A 15 4.108 1.316 15.655 1.00 0.00 C ATOM 80 O ASP A 15 3.464 0.340 15.331 1.00 0.00 O ATOM 81 CB ASP A 15 3.181 3.417 16.613 1.00 0.00 C ATOM 82 CG ASP A 15 1.673 3.688 16.586 1.00 0.00 C ATOM 83 OD1 ASP A 15 0.918 2.730 16.591 1.00 0.00 O ATOM 84 OD2 ASP A 15 1.300 4.850 16.562 1.00 0.00 O ATOM 0 H ASP A 15 2.206 1.708 14.101 1.00 0.00 H new ATOM 0 HA ASP A 15 4.442 3.308 14.870 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.427 2.789 17.469 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.722 4.355 16.740 1.00 0.00 H new ATOM 89 N GLU A 16 5.228 1.210 16.312 1.00 0.00 N ATOM 90 CA GLU A 16 5.759 -0.134 16.689 1.00 0.00 C ATOM 91 C GLU A 16 5.564 -1.118 15.530 1.00 0.00 C ATOM 92 O GLU A 16 5.447 -2.310 15.737 1.00 0.00 O ATOM 93 CB GLU A 16 5.015 -0.647 17.921 1.00 0.00 C ATOM 94 CG GLU A 16 4.772 0.512 18.890 1.00 0.00 C ATOM 95 CD GLU A 16 5.114 0.069 20.313 1.00 0.00 C ATOM 96 OE1 GLU A 16 5.966 -0.792 20.456 1.00 0.00 O ATOM 97 OE2 GLU A 16 4.518 0.600 21.237 1.00 0.00 O ATOM 0 H GLU A 16 5.803 1.999 16.607 1.00 0.00 H new ATOM 0 HA GLU A 16 6.823 -0.049 16.911 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.065 -1.093 17.626 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.596 -1.429 18.411 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.383 1.369 18.608 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.731 0.831 18.838 1.00 0.00 H new ATOM 104 N ASN A 17 5.525 -0.625 14.316 1.00 0.00 N ATOM 105 CA ASN A 17 5.338 -1.513 13.126 1.00 0.00 C ATOM 106 C ASN A 17 3.848 -1.753 12.885 1.00 0.00 C ATOM 107 O ASN A 17 3.405 -1.898 11.763 1.00 0.00 O ATOM 108 CB ASN A 17 6.047 -2.851 13.348 1.00 0.00 C ATOM 109 CG ASN A 17 6.426 -3.460 11.997 1.00 0.00 C ATOM 110 OD1 ASN A 17 6.187 -4.724 11.775 1.00 0.00 O flip ATOM 111 ND2 ASN A 17 6.945 -2.779 11.135 1.00 0.00 N flip ATOM 0 H ASN A 17 5.616 0.367 14.097 1.00 0.00 H new ATOM 0 HA ASN A 17 5.770 -1.024 12.253 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.940 -2.705 13.956 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.396 -3.533 13.896 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.132 -1.791 11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.194 -3.195 10.238 1.00 0.00 H new ATOM 118 N ASP A 18 3.076 -1.794 13.929 1.00 0.00 N ATOM 119 CA ASP A 18 1.611 -2.024 13.777 1.00 0.00 C ATOM 120 C ASP A 18 1.370 -3.114 12.738 1.00 0.00 C ATOM 121 O ASP A 18 1.013 -2.845 11.608 1.00 0.00 O ATOM 122 CB ASP A 18 0.933 -0.727 13.329 1.00 0.00 C ATOM 123 CG ASP A 18 -0.177 -0.366 14.318 1.00 0.00 C ATOM 124 OD1 ASP A 18 0.139 0.190 15.357 1.00 0.00 O ATOM 125 OD2 ASP A 18 -1.326 -0.651 14.019 1.00 0.00 O ATOM 0 H ASP A 18 3.396 -1.678 14.890 1.00 0.00 H new ATOM 0 HA ASP A 18 1.192 -2.339 14.733 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.665 0.079 13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.518 -0.847 12.328 1.00 0.00 H new ATOM 130 N GLU A 19 1.561 -4.346 13.113 1.00 0.00 N ATOM 131 CA GLU A 19 1.343 -5.461 12.151 1.00 0.00 C ATOM 132 C GLU A 19 0.019 -5.244 11.418 1.00 0.00 C ATOM 133 O GLU A 19 -0.167 -5.696 10.305 1.00 0.00 O ATOM 134 CB GLU A 19 1.299 -6.791 12.906 1.00 0.00 C ATOM 135 CG GLU A 19 0.323 -6.681 14.079 1.00 0.00 C ATOM 136 CD GLU A 19 0.444 -7.925 14.961 1.00 0.00 C ATOM 137 OE1 GLU A 19 0.392 -9.019 14.421 1.00 0.00 O ATOM 138 OE2 GLU A 19 0.589 -7.765 16.162 1.00 0.00 O ATOM 0 H GLU A 19 1.859 -4.630 14.046 1.00 0.00 H new ATOM 0 HA GLU A 19 2.160 -5.485 11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.989 -7.592 12.235 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.294 -7.048 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.538 -5.786 14.663 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.697 -6.582 13.709 1.00 0.00 H new ATOM 145 N GLY A 20 -0.901 -4.550 12.028 1.00 0.00 N ATOM 146 CA GLY A 20 -2.209 -4.298 11.361 1.00 0.00 C ATOM 147 C GLY A 20 -1.986 -3.399 10.146 1.00 0.00 C ATOM 148 O GLY A 20 -2.372 -3.725 9.040 1.00 0.00 O ATOM 0 H GLY A 20 -0.804 -4.146 12.960 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.662 -5.241 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.901 -3.824 12.057 1.00 0.00 H new ATOM 152 N LEU A 21 -1.362 -2.270 10.339 1.00 0.00 N ATOM 153 CA LEU A 21 -1.109 -1.349 9.196 1.00 0.00 C ATOM 154 C LEU A 21 -0.271 -2.073 8.144 1.00 0.00 C ATOM 155 O LEU A 21 -0.437 -1.868 6.959 1.00 0.00 O ATOM 156 CB LEU A 21 -0.358 -0.113 9.692 1.00 0.00 C ATOM 157 CG LEU A 21 -0.376 0.970 8.610 1.00 0.00 C ATOM 158 CD1 LEU A 21 0.504 0.534 7.436 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.809 1.182 8.119 1.00 0.00 C ATOM 0 H LEU A 21 -1.016 -1.945 11.242 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.057 -1.040 8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.820 0.263 10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.670 -0.376 9.940 1.00 0.00 H new ATOM 0 HG LEU A 21 0.006 1.902 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.491 1.305 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.526 0.385 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.122 -0.399 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.819 1.953 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.193 0.250 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.437 1.494 8.953 1.00 0.00 H new ATOM 171 N GLN A 22 0.627 -2.924 8.561 1.00 0.00 N ATOM 172 CA GLN A 22 1.464 -3.655 7.570 1.00 0.00 C ATOM 173 C GLN A 22 0.565 -4.544 6.716 1.00 0.00 C ATOM 174 O GLN A 22 0.698 -4.601 5.511 1.00 0.00 O ATOM 175 CB GLN A 22 2.501 -4.512 8.297 1.00 0.00 C ATOM 176 CG GLN A 22 3.556 -3.604 8.932 1.00 0.00 C ATOM 177 CD GLN A 22 4.806 -4.423 9.256 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.985 -3.916 9.015 1.00 0.00 O flip ATOM 179 NE2 GLN A 22 4.710 -5.535 9.735 1.00 0.00 N flip ATOM 0 H GLN A 22 0.816 -3.143 9.539 1.00 0.00 H new ATOM 0 HA GLN A 22 1.983 -2.940 6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.016 -5.116 9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.973 -5.203 7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.808 -2.790 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.161 -3.149 9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.789 -5.931 9.923 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.550 -6.072 9.949 1.00 0.00 H new ATOM 188 N ARG A 23 -0.360 -5.221 7.328 1.00 0.00 N ATOM 189 CA ARG A 23 -1.282 -6.087 6.541 1.00 0.00 C ATOM 190 C ARG A 23 -2.152 -5.187 5.663 1.00 0.00 C ATOM 191 O ARG A 23 -2.746 -5.623 4.697 1.00 0.00 O ATOM 192 CB ARG A 23 -2.167 -6.895 7.493 1.00 0.00 C ATOM 193 CG ARG A 23 -1.370 -8.075 8.052 1.00 0.00 C ATOM 194 CD ARG A 23 -2.081 -8.635 9.285 1.00 0.00 C ATOM 195 NE ARG A 23 -2.887 -9.826 8.896 1.00 0.00 N ATOM 196 CZ ARG A 23 -3.998 -10.093 9.525 1.00 0.00 C ATOM 197 NH1 ARG A 23 -4.251 -9.531 10.674 1.00 0.00 N ATOM 198 NH2 ARG A 23 -4.857 -10.927 9.003 1.00 0.00 N ATOM 0 H ARG A 23 -0.520 -5.215 8.335 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.713 -6.779 5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.518 -6.261 8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.051 -7.256 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.270 -8.851 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.362 -7.754 8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.350 -8.910 10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.726 -7.873 9.723 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.570 -10.432 8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.579 -8.881 11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.120 -9.741 11.164 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.658 -11.368 8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.726 -11.137 9.493 1.00 0.00 H new ATOM 212 N ALA A 24 -2.216 -3.925 5.994 1.00 0.00 N ATOM 213 CA ALA A 24 -3.027 -2.971 5.190 1.00 0.00 C ATOM 214 C ALA A 24 -2.284 -2.653 3.901 1.00 0.00 C ATOM 215 O ALA A 24 -2.805 -2.814 2.810 1.00 0.00 O ATOM 216 CB ALA A 24 -3.241 -1.685 5.987 1.00 0.00 C ATOM 0 H ALA A 24 -1.736 -3.513 6.794 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.995 -3.415 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.835 -0.986 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.765 -1.915 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.275 -1.235 6.218 1.00 0.00 H new ATOM 222 N LEU A 25 -1.069 -2.205 4.011 1.00 0.00 N ATOM 223 CA LEU A 25 -0.294 -1.879 2.805 1.00 0.00 C ATOM 224 C LEU A 25 -0.110 -3.131 1.958 1.00 0.00 C ATOM 225 O LEU A 25 -0.132 -3.083 0.756 1.00 0.00 O ATOM 226 CB LEU A 25 1.056 -1.346 3.257 1.00 0.00 C ATOM 227 CG LEU A 25 1.965 -1.139 2.045 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.689 0.204 2.174 1.00 0.00 C ATOM 229 CD2 LEU A 25 2.996 -2.268 1.981 1.00 0.00 C ATOM 0 H LEU A 25 -0.583 -2.052 4.894 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.812 -1.134 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.925 -0.404 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.518 -2.045 3.954 1.00 0.00 H new ATOM 0 HG LEU A 25 1.364 -1.143 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.337 0.352 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.956 1.009 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.290 0.208 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.644 -2.120 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.597 -2.264 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.482 -3.225 1.890 1.00 0.00 H new ATOM 241 N GLN A 26 0.078 -4.249 2.569 1.00 0.00 N ATOM 242 CA GLN A 26 0.275 -5.490 1.770 1.00 0.00 C ATOM 243 C GLN A 26 -1.043 -5.929 1.116 1.00 0.00 C ATOM 244 O GLN A 26 -1.045 -6.642 0.132 1.00 0.00 O ATOM 245 CB GLN A 26 0.800 -6.607 2.672 1.00 0.00 C ATOM 246 CG GLN A 26 1.751 -7.504 1.873 1.00 0.00 C ATOM 247 CD GLN A 26 2.704 -8.218 2.830 1.00 0.00 C ATOM 248 OE1 GLN A 26 2.424 -8.340 4.007 1.00 0.00 O ATOM 249 NE2 GLN A 26 3.828 -8.699 2.375 1.00 0.00 N ATOM 0 H GLN A 26 0.106 -4.368 3.582 1.00 0.00 H new ATOM 0 HA GLN A 26 1.001 -5.284 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.320 -6.182 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.031 -7.195 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.182 -8.234 1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.317 -6.906 1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.064 -8.597 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.471 -9.177 3.006 1.00 0.00 H new ATOM 258 N PHE A 27 -2.161 -5.517 1.645 1.00 0.00 N ATOM 259 CA PHE A 27 -3.465 -5.916 1.042 1.00 0.00 C ATOM 260 C PHE A 27 -3.722 -5.095 -0.217 1.00 0.00 C ATOM 261 O PHE A 27 -3.912 -5.616 -1.302 1.00 0.00 O ATOM 262 CB PHE A 27 -4.560 -5.633 2.055 1.00 0.00 C ATOM 263 CG PHE A 27 -5.864 -6.282 1.654 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.000 -6.908 0.408 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.951 -6.236 2.535 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.224 -7.484 0.048 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.170 -6.816 2.178 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.309 -7.438 0.934 1.00 0.00 C ATOM 0 H PHE A 27 -2.229 -4.921 2.470 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.449 -6.974 0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.255 -6.001 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.702 -4.556 2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.163 -6.946 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.846 -5.750 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.332 -7.964 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.005 -6.784 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.253 -7.883 0.655 1.00 0.00 H new ATOM 278 N ALA A 28 -3.719 -3.811 -0.070 1.00 0.00 N ATOM 279 CA ALA A 28 -3.960 -2.919 -1.235 1.00 0.00 C ATOM 280 C ALA A 28 -2.763 -2.971 -2.177 1.00 0.00 C ATOM 281 O ALA A 28 -2.904 -3.123 -3.373 1.00 0.00 O ATOM 282 CB ALA A 28 -4.134 -1.496 -0.734 1.00 0.00 C ATOM 0 H ALA A 28 -3.559 -3.330 0.815 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.854 -3.244 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.312 -0.832 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.984 -1.451 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.232 -1.182 -0.209 1.00 0.00 H new ATOM 288 N ILE A 29 -1.587 -2.839 -1.643 1.00 0.00 N ATOM 289 CA ILE A 29 -0.374 -2.883 -2.497 1.00 0.00 C ATOM 290 C ILE A 29 -0.375 -4.192 -3.272 1.00 0.00 C ATOM 291 O ILE A 29 -0.061 -4.243 -4.445 1.00 0.00 O ATOM 292 CB ILE A 29 0.874 -2.780 -1.607 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.000 -2.153 -2.404 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.299 -4.150 -1.110 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.445 -0.893 -3.029 1.00 0.00 C ATOM 0 H ILE A 29 -1.412 -2.702 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.368 -2.050 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 29 0.639 -2.161 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.848 -1.923 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.359 -2.839 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.184 -4.051 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.490 -4.593 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.528 -4.791 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.223 -0.405 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.607 -1.147 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.104 -0.217 -2.244 1.00 0.00 H new ATOM 307 N ALA A 30 -0.756 -5.248 -2.623 1.00 0.00 N ATOM 308 CA ALA A 30 -0.821 -6.550 -3.326 1.00 0.00 C ATOM 309 C ALA A 30 -1.753 -6.352 -4.514 1.00 0.00 C ATOM 310 O ALA A 30 -1.533 -6.862 -5.597 1.00 0.00 O ATOM 311 CB ALA A 30 -1.391 -7.619 -2.389 1.00 0.00 C ATOM 0 H ALA A 30 -1.025 -5.267 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 30 0.168 -6.877 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.436 -8.574 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.749 -7.715 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.394 -7.330 -2.074 1.00 0.00 H new ATOM 317 N GLU A 31 -2.790 -5.583 -4.311 1.00 0.00 N ATOM 318 CA GLU A 31 -3.740 -5.310 -5.418 1.00 0.00 C ATOM 319 C GLU A 31 -3.062 -4.432 -6.465 1.00 0.00 C ATOM 320 O GLU A 31 -3.385 -4.495 -7.630 1.00 0.00 O ATOM 321 CB GLU A 31 -4.986 -4.603 -4.884 1.00 0.00 C ATOM 322 CG GLU A 31 -5.600 -5.434 -3.755 1.00 0.00 C ATOM 323 CD GLU A 31 -6.913 -6.053 -4.235 1.00 0.00 C ATOM 324 OE1 GLU A 31 -6.895 -6.703 -5.268 1.00 0.00 O ATOM 325 OE2 GLU A 31 -7.913 -5.867 -3.563 1.00 0.00 O ATOM 0 H GLU A 31 -3.017 -5.134 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.039 -6.256 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.725 -3.610 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.712 -4.467 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.907 -6.217 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.779 -4.806 -2.882 1.00 0.00 H new ATOM 332 N TYR A 32 -2.118 -3.618 -6.075 1.00 0.00 N ATOM 333 CA TYR A 32 -1.434 -2.768 -7.085 1.00 0.00 C ATOM 334 C TYR A 32 -0.688 -3.679 -8.063 1.00 0.00 C ATOM 335 O TYR A 32 -0.818 -3.561 -9.268 1.00 0.00 O ATOM 336 CB TYR A 32 -0.441 -1.843 -6.390 1.00 0.00 C ATOM 337 CG TYR A 32 -0.133 -0.668 -7.281 1.00 0.00 C ATOM 338 CD1 TYR A 32 0.679 -0.839 -8.406 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.643 0.596 -6.974 1.00 0.00 C ATOM 340 CE1 TYR A 32 0.980 0.249 -9.216 1.00 0.00 C ATOM 341 CE2 TYR A 32 -0.347 1.682 -7.784 1.00 0.00 C ATOM 342 CZ TYR A 32 0.468 1.516 -8.912 1.00 0.00 C ATOM 343 OH TYR A 32 0.766 2.596 -9.717 1.00 0.00 O ATOM 0 H TYR A 32 -1.796 -3.507 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.166 -2.164 -7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.854 -1.495 -5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.475 -2.386 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.072 -1.816 -8.645 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.269 0.728 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.611 0.117 -10.083 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.745 2.657 -7.545 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.020 2.831 -10.253 1.00 0.00 H new ATOM 353 N ASN A 33 0.088 -4.595 -7.546 1.00 0.00 N ATOM 354 CA ASN A 33 0.843 -5.524 -8.431 1.00 0.00 C ATOM 355 C ASN A 33 -0.134 -6.308 -9.311 1.00 0.00 C ATOM 356 O ASN A 33 0.017 -6.367 -10.516 1.00 0.00 O ATOM 357 CB ASN A 33 1.649 -6.501 -7.573 1.00 0.00 C ATOM 358 CG ASN A 33 2.496 -7.397 -8.478 1.00 0.00 C ATOM 359 OD1 ASN A 33 1.996 -7.968 -9.426 1.00 0.00 O ATOM 360 ND2 ASN A 33 3.769 -7.544 -8.225 1.00 0.00 N ATOM 0 H ASN A 33 0.230 -4.738 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 33 1.518 -4.949 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.291 -5.952 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.977 -7.109 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.343 -8.138 -8.824 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.189 -7.065 -7.429 1.00 0.00 H new ATOM 367 N ARG A 34 -1.135 -6.913 -8.726 1.00 0.00 N ATOM 368 CA ARG A 34 -2.109 -7.688 -9.546 1.00 0.00 C ATOM 369 C ARG A 34 -2.962 -6.722 -10.371 1.00 0.00 C ATOM 370 O ARG A 34 -3.653 -7.113 -11.290 1.00 0.00 O ATOM 371 CB ARG A 34 -3.009 -8.520 -8.630 1.00 0.00 C ATOM 372 CG ARG A 34 -3.937 -7.595 -7.842 1.00 0.00 C ATOM 373 CD ARG A 34 -5.373 -7.766 -8.342 1.00 0.00 C ATOM 374 NE ARG A 34 -6.188 -8.434 -7.291 1.00 0.00 N ATOM 375 CZ ARG A 34 -7.307 -9.026 -7.611 1.00 0.00 C ATOM 376 NH1 ARG A 34 -8.326 -8.319 -8.018 1.00 0.00 N ATOM 377 NH2 ARG A 34 -7.407 -10.324 -7.525 1.00 0.00 N ATOM 0 H ARG A 34 -1.318 -6.904 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.568 -8.356 -10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.596 -9.223 -9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.401 -9.111 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.881 -7.826 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.621 -6.559 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.802 -6.795 -8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.383 -8.359 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.873 -8.429 -6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.248 -7.304 -8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.200 -8.781 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.611 -10.877 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.281 -10.786 -7.775 1.00 0.00 H new ATOM 391 N ALA A 35 -2.923 -5.463 -10.038 1.00 0.00 N ATOM 392 CA ALA A 35 -3.734 -4.464 -10.790 1.00 0.00 C ATOM 393 C ALA A 35 -3.012 -4.068 -12.077 1.00 0.00 C ATOM 394 O ALA A 35 -3.595 -3.490 -12.974 1.00 0.00 O ATOM 395 CB ALA A 35 -3.948 -3.222 -9.923 1.00 0.00 C ATOM 0 H ALA A 35 -2.363 -5.081 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.699 -4.905 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.541 -2.492 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.473 -3.502 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.982 -2.786 -9.667 1.00 0.00 H new ATOM 401 N SER A 36 -1.750 -4.375 -12.183 1.00 0.00 N ATOM 402 CA SER A 36 -1.000 -4.017 -13.419 1.00 0.00 C ATOM 403 C SER A 36 -1.162 -5.137 -14.449 1.00 0.00 C ATOM 404 O SER A 36 -1.739 -4.949 -15.499 1.00 0.00 O ATOM 405 CB SER A 36 0.482 -3.837 -13.086 1.00 0.00 C ATOM 406 OG SER A 36 1.244 -3.880 -14.283 1.00 0.00 O ATOM 0 H SER A 36 -1.206 -4.858 -11.468 1.00 0.00 H new ATOM 0 HA SER A 36 -1.392 -3.085 -13.827 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.638 -2.886 -12.577 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.811 -4.622 -12.405 1.00 0.00 H new ATOM 0 HG SER A 36 2.169 -3.621 -14.091 1.00 0.00 H new ATOM 412 N ASN A 37 -0.654 -6.304 -14.149 1.00 0.00 N ATOM 413 CA ASN A 37 -0.774 -7.448 -15.100 1.00 0.00 C ATOM 414 C ASN A 37 0.264 -7.309 -16.216 1.00 0.00 C ATOM 415 O ASN A 37 0.438 -8.197 -17.026 1.00 0.00 O ATOM 416 CB ASN A 37 -2.178 -7.472 -15.709 1.00 0.00 C ATOM 417 CG ASN A 37 -3.213 -7.189 -14.619 1.00 0.00 C ATOM 418 OD1 ASN A 37 -3.698 -6.082 -14.499 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.576 -8.151 -13.815 1.00 0.00 N ATOM 0 H ASN A 37 -0.159 -6.514 -13.282 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.599 -8.378 -14.559 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.255 -6.727 -16.501 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.371 -8.443 -16.165 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.267 -7.973 -13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.169 -9.081 -13.916 1.00 0.00 H new ATOM 426 N ASP A 38 0.960 -6.206 -16.265 1.00 0.00 N ATOM 427 CA ASP A 38 1.979 -6.013 -17.317 1.00 0.00 C ATOM 428 C ASP A 38 3.112 -7.019 -17.114 1.00 0.00 C ATOM 429 O ASP A 38 3.048 -8.141 -17.572 1.00 0.00 O ATOM 430 CB ASP A 38 2.495 -4.588 -17.192 1.00 0.00 C ATOM 431 CG ASP A 38 3.620 -4.341 -18.202 1.00 0.00 C ATOM 432 OD1 ASP A 38 4.441 -5.225 -18.376 1.00 0.00 O ATOM 433 OD2 ASP A 38 3.640 -3.269 -18.783 1.00 0.00 O ATOM 0 H ASP A 38 0.860 -5.428 -15.613 1.00 0.00 H new ATOM 0 HA ASP A 38 1.560 -6.172 -18.311 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.682 -3.883 -17.363 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.860 -4.413 -16.180 1.00 0.00 H new ATOM 438 N LYS A 39 4.144 -6.630 -16.420 1.00 0.00 N ATOM 439 CA LYS A 39 5.278 -7.569 -16.179 1.00 0.00 C ATOM 440 C LYS A 39 6.100 -7.088 -14.984 1.00 0.00 C ATOM 441 O LYS A 39 6.211 -7.767 -13.985 1.00 0.00 O ATOM 442 CB LYS A 39 6.170 -7.639 -17.421 1.00 0.00 C ATOM 443 CG LYS A 39 5.402 -8.289 -18.573 1.00 0.00 C ATOM 444 CD LYS A 39 6.384 -8.734 -19.658 1.00 0.00 C ATOM 445 CE LYS A 39 5.710 -8.636 -21.028 1.00 0.00 C ATOM 446 NZ LYS A 39 6.083 -9.822 -21.850 1.00 0.00 N ATOM 0 H LYS A 39 4.253 -5.703 -16.009 1.00 0.00 H new ATOM 0 HA LYS A 39 4.880 -8.561 -15.968 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.492 -6.637 -17.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.070 -8.213 -17.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.835 -9.145 -18.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.682 -7.583 -18.987 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.276 -8.109 -19.634 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.708 -9.758 -19.473 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.627 -8.587 -20.910 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.017 -7.720 -21.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.625 -9.756 -22.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.115 -9.849 -21.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.769 -10.690 -21.370 1.00 0.00 H new ATOM 460 N TYR A 40 6.678 -5.923 -15.103 1.00 0.00 N ATOM 461 CA TYR A 40 7.506 -5.333 -13.991 1.00 0.00 C ATOM 462 C TYR A 40 6.757 -5.494 -12.658 1.00 0.00 C ATOM 463 O TYR A 40 5.763 -6.181 -12.563 1.00 0.00 O ATOM 464 CB TYR A 40 7.692 -3.834 -14.255 1.00 0.00 C ATOM 465 CG TYR A 40 6.322 -3.263 -14.375 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.606 -2.955 -13.219 1.00 0.00 C ATOM 467 CD2 TYR A 40 5.752 -3.098 -15.629 1.00 0.00 C ATOM 468 CE1 TYR A 40 4.307 -2.469 -13.321 1.00 0.00 C ATOM 469 CE2 TYR A 40 4.451 -2.619 -15.740 1.00 0.00 C ATOM 470 CZ TYR A 40 3.721 -2.301 -14.585 1.00 0.00 C ATOM 471 OH TYR A 40 2.430 -1.825 -14.691 1.00 0.00 O ATOM 0 H TYR A 40 6.615 -5.339 -15.937 1.00 0.00 H new ATOM 0 HA TYR A 40 8.470 -5.840 -13.946 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.242 -3.360 -13.442 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.265 -3.667 -15.167 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.058 -3.093 -12.248 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.317 -3.341 -16.517 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.750 -2.221 -12.429 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.003 -2.492 -16.715 1.00 0.00 H new ATOM 0 HH TYR A 40 1.875 -2.486 -15.154 1.00 0.00 H new ATOM 481 N SER A 41 7.216 -4.854 -11.620 1.00 0.00 N ATOM 482 CA SER A 41 6.508 -4.998 -10.309 1.00 0.00 C ATOM 483 C SER A 41 6.241 -3.629 -9.670 1.00 0.00 C ATOM 484 O SER A 41 6.992 -2.692 -9.846 1.00 0.00 O ATOM 485 CB SER A 41 7.370 -5.834 -9.362 1.00 0.00 C ATOM 486 OG SER A 41 7.384 -7.183 -9.801 1.00 0.00 O ATOM 0 H SER A 41 8.036 -4.247 -11.616 1.00 0.00 H new ATOM 0 HA SER A 41 5.551 -5.488 -10.486 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.386 -5.439 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.977 -5.775 -8.347 1.00 0.00 H new ATOM 0 HG SER A 41 7.938 -7.718 -9.195 1.00 0.00 H new ATOM 492 N SER A 42 5.177 -3.517 -8.910 1.00 0.00 N ATOM 493 CA SER A 42 4.867 -2.218 -8.241 1.00 0.00 C ATOM 494 C SER A 42 5.161 -2.343 -6.745 1.00 0.00 C ATOM 495 O SER A 42 4.695 -3.256 -6.092 1.00 0.00 O ATOM 496 CB SER A 42 3.385 -1.859 -8.436 1.00 0.00 C ATOM 497 OG SER A 42 2.867 -2.577 -9.546 1.00 0.00 O ATOM 0 H SER A 42 4.513 -4.269 -8.726 1.00 0.00 H new ATOM 0 HA SER A 42 5.483 -1.434 -8.681 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.819 -2.101 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.278 -0.787 -8.601 1.00 0.00 H new ATOM 0 HG SER A 42 2.415 -1.956 -10.155 1.00 0.00 H new ATOM 503 N ARG A 43 5.929 -1.442 -6.185 1.00 0.00 N ATOM 504 CA ARG A 43 6.228 -1.548 -4.727 1.00 0.00 C ATOM 505 C ARG A 43 6.122 -0.167 -4.088 1.00 0.00 C ATOM 506 O ARG A 43 6.440 0.818 -4.702 1.00 0.00 O ATOM 507 CB ARG A 43 7.646 -2.092 -4.533 1.00 0.00 C ATOM 508 CG ARG A 43 7.720 -3.523 -5.070 1.00 0.00 C ATOM 509 CD ARG A 43 8.869 -4.266 -4.386 1.00 0.00 C ATOM 510 NE ARG A 43 8.387 -5.594 -3.908 1.00 0.00 N ATOM 511 CZ ARG A 43 9.204 -6.400 -3.289 1.00 0.00 C ATOM 512 NH1 ARG A 43 10.144 -5.917 -2.524 1.00 0.00 N ATOM 513 NH2 ARG A 43 9.083 -7.692 -3.437 1.00 0.00 N ATOM 0 H ARG A 43 6.355 -0.650 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 43 5.514 -2.224 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.364 -1.459 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.913 -2.074 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.778 -4.040 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.872 -3.510 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.697 -4.397 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.247 -3.681 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 43 7.418 -5.872 -4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.240 -4.908 -2.410 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.783 -6.548 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.350 -8.070 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.722 -8.323 -2.953 1.00 0.00 H new ATOM 527 N VAL A 44 5.675 -0.087 -2.863 1.00 0.00 N ATOM 528 CA VAL A 44 5.553 1.245 -2.202 1.00 0.00 C ATOM 529 C VAL A 44 6.838 2.045 -2.409 1.00 0.00 C ATOM 530 O VAL A 44 7.771 1.596 -3.040 1.00 0.00 O ATOM 531 CB VAL A 44 5.232 1.053 -0.719 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.497 1.174 0.135 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.214 2.114 -0.298 1.00 0.00 C ATOM 0 H VAL A 44 5.390 -0.883 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 44 4.737 1.811 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 44 4.820 0.055 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.242 1.034 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.215 0.413 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.936 2.162 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.975 1.990 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.634 3.106 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.306 2.003 -0.891 1.00 0.00 H new ATOM 543 N VAL A 45 6.888 3.241 -1.900 1.00 0.00 N ATOM 544 CA VAL A 45 8.099 4.069 -2.103 1.00 0.00 C ATOM 545 C VAL A 45 8.266 4.989 -0.895 1.00 0.00 C ATOM 546 O VAL A 45 9.095 4.765 -0.035 1.00 0.00 O ATOM 547 CB VAL A 45 7.936 4.917 -3.377 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.090 4.687 -4.318 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.711 4.523 -4.165 1.00 0.00 C ATOM 0 H VAL A 45 6.145 3.678 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 45 8.975 3.430 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 45 7.872 5.950 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.957 5.295 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.022 4.965 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.127 3.634 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.635 5.147 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.789 3.477 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.822 4.660 -3.549 1.00 0.00 H new ATOM 559 N ARG A 46 7.467 6.016 -0.818 1.00 0.00 N ATOM 560 CA ARG A 46 7.553 6.951 0.335 1.00 0.00 C ATOM 561 C ARG A 46 6.149 7.147 0.914 1.00 0.00 C ATOM 562 O ARG A 46 5.443 8.067 0.553 1.00 0.00 O ATOM 563 CB ARG A 46 8.108 8.297 -0.134 1.00 0.00 C ATOM 564 CG ARG A 46 9.140 8.064 -1.240 1.00 0.00 C ATOM 565 CD ARG A 46 9.536 9.406 -1.858 1.00 0.00 C ATOM 566 NE ARG A 46 11.019 9.543 -1.835 1.00 0.00 N ATOM 567 CZ ARG A 46 11.594 10.521 -2.479 1.00 0.00 C ATOM 568 NH1 ARG A 46 11.172 11.745 -2.316 1.00 0.00 N ATOM 569 NH2 ARG A 46 12.589 10.276 -3.287 1.00 0.00 N ATOM 0 H ARG A 46 6.754 6.248 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 46 8.215 6.541 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.299 8.928 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.567 8.825 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.019 7.565 -0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.727 7.407 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.170 9.469 -2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.076 10.224 -1.304 1.00 0.00 H new ATOM 0 HE ARG A 46 11.585 8.872 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.393 11.936 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.621 12.510 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.918 9.319 -3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.038 11.041 -3.790 1.00 0.00 H new ATOM 583 N VAL A 47 5.739 6.283 1.804 1.00 0.00 N ATOM 584 CA VAL A 47 4.381 6.413 2.404 1.00 0.00 C ATOM 585 C VAL A 47 4.101 7.869 2.745 1.00 0.00 C ATOM 586 O VAL A 47 4.977 8.710 2.725 1.00 0.00 O ATOM 587 CB VAL A 47 4.291 5.548 3.652 1.00 0.00 C ATOM 588 CG1 VAL A 47 5.035 6.241 4.770 1.00 0.00 C ATOM 589 CG2 VAL A 47 2.823 5.363 4.045 1.00 0.00 C ATOM 0 H VAL A 47 6.287 5.492 2.141 1.00 0.00 H new ATOM 0 HA VAL A 47 3.634 6.076 1.686 1.00 0.00 H new ATOM 0 HB VAL A 47 4.731 4.569 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.981 5.634 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.078 6.375 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.583 7.215 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.761 4.743 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.375 6.336 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.286 4.878 3.230 1.00 0.00 H new ATOM 599 N ILE A 48 2.873 8.173 3.030 1.00 0.00 N ATOM 600 CA ILE A 48 2.505 9.566 3.339 1.00 0.00 C ATOM 601 C ILE A 48 1.475 9.557 4.456 1.00 0.00 C ATOM 602 O ILE A 48 1.615 10.225 5.462 1.00 0.00 O ATOM 603 CB ILE A 48 1.868 10.141 2.085 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.949 10.477 1.057 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.072 11.406 2.422 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.308 10.583 -0.328 1.00 0.00 C ATOM 0 H ILE A 48 2.102 7.505 3.061 1.00 0.00 H new ATOM 0 HA ILE A 48 3.372 10.152 3.646 1.00 0.00 H new ATOM 0 HB ILE A 48 1.190 9.396 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.437 11.416 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.720 9.706 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.622 11.806 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.288 11.162 3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.739 12.151 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.074 10.823 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.840 9.633 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.553 11.369 -0.320 1.00 0.00 H new ATOM 618 N SER A 49 0.424 8.815 4.265 1.00 0.00 N ATOM 619 CA SER A 49 -0.645 8.778 5.309 1.00 0.00 C ATOM 620 C SER A 49 -1.046 7.341 5.657 1.00 0.00 C ATOM 621 O SER A 49 -2.020 6.821 5.156 1.00 0.00 O ATOM 622 CB SER A 49 -1.872 9.536 4.801 1.00 0.00 C ATOM 623 OG SER A 49 -2.196 10.576 5.711 1.00 0.00 O ATOM 0 H SER A 49 0.255 8.237 3.442 1.00 0.00 H new ATOM 0 HA SER A 49 -0.253 9.247 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.673 9.952 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.716 8.854 4.696 1.00 0.00 H new ATOM 0 HG SER A 49 -2.953 11.092 5.362 1.00 0.00 H new ATOM 629 N ALA A 50 -0.327 6.720 6.552 1.00 0.00 N ATOM 630 CA ALA A 50 -0.677 5.331 6.989 1.00 0.00 C ATOM 631 C ALA A 50 -1.314 5.426 8.381 1.00 0.00 C ATOM 632 O ALA A 50 -0.627 5.567 9.374 1.00 0.00 O ATOM 633 CB ALA A 50 0.587 4.478 7.064 1.00 0.00 C ATOM 0 H ALA A 50 0.496 7.116 7.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.366 4.872 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.326 3.469 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.058 4.438 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.280 4.917 7.781 1.00 0.00 H new ATOM 639 N LYS A 51 -2.619 5.378 8.468 1.00 0.00 N ATOM 640 CA LYS A 51 -3.277 5.499 9.803 1.00 0.00 C ATOM 641 C LYS A 51 -4.431 4.508 9.915 1.00 0.00 C ATOM 642 O LYS A 51 -4.926 3.989 8.931 1.00 0.00 O ATOM 643 CB LYS A 51 -3.808 6.922 9.978 1.00 0.00 C ATOM 644 CG LYS A 51 -2.643 7.912 9.890 1.00 0.00 C ATOM 645 CD LYS A 51 -3.184 9.314 9.597 1.00 0.00 C ATOM 646 CE LYS A 51 -2.481 10.329 10.499 1.00 0.00 C ATOM 647 NZ LYS A 51 -3.262 10.500 11.758 1.00 0.00 N ATOM 0 H LYS A 51 -3.253 5.261 7.678 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.546 5.279 10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.547 7.144 9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.311 7.019 10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.083 7.915 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.951 7.607 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.020 9.567 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.260 9.343 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.471 9.989 10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.387 11.285 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.784 11.190 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.217 10.842 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.330 9.587 12.251 1.00 0.00 H new ATOM 661 N ARG A 52 -4.855 4.242 11.119 1.00 0.00 N ATOM 662 CA ARG A 52 -5.967 3.278 11.325 1.00 0.00 C ATOM 663 C ARG A 52 -7.061 3.909 12.199 1.00 0.00 C ATOM 664 O ARG A 52 -7.077 3.740 13.402 1.00 0.00 O ATOM 665 CB ARG A 52 -5.418 2.033 12.004 1.00 0.00 C ATOM 666 CG ARG A 52 -4.800 1.111 10.953 1.00 0.00 C ATOM 667 CD ARG A 52 -3.682 0.285 11.597 1.00 0.00 C ATOM 668 NE ARG A 52 -4.218 -0.433 12.788 1.00 0.00 N ATOM 669 CZ ARG A 52 -4.367 0.200 13.918 1.00 0.00 C ATOM 670 NH1 ARG A 52 -3.462 1.052 14.315 1.00 0.00 N ATOM 671 NH2 ARG A 52 -5.425 -0.017 14.653 1.00 0.00 N ATOM 0 H ARG A 52 -4.476 4.654 11.972 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.403 3.013 10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.669 2.310 12.746 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.216 1.514 12.535 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.562 0.451 10.538 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.403 1.699 10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.283 -0.430 10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.858 0.935 11.891 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.468 -1.419 12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.636 1.224 13.741 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.580 1.546 15.199 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.134 -0.681 14.343 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.542 0.478 15.537 1.00 0.00 H new ATOM 685 N GLN A 53 -7.976 4.635 11.606 1.00 0.00 N ATOM 686 CA GLN A 53 -9.063 5.271 12.406 1.00 0.00 C ATOM 687 C GLN A 53 -9.634 4.250 13.390 1.00 0.00 C ATOM 688 O GLN A 53 -9.604 3.061 13.145 1.00 0.00 O ATOM 689 CB GLN A 53 -10.170 5.755 11.469 1.00 0.00 C ATOM 690 CG GLN A 53 -10.089 7.276 11.326 1.00 0.00 C ATOM 691 CD GLN A 53 -9.735 7.635 9.882 1.00 0.00 C ATOM 692 OE1 GLN A 53 -8.622 8.031 9.598 1.00 0.00 O ATOM 693 NE2 GLN A 53 -10.641 7.510 8.951 1.00 0.00 N ATOM 0 H GLN A 53 -8.016 4.814 10.603 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.660 6.120 12.958 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.067 5.281 10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.145 5.467 11.862 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.041 7.729 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.337 7.676 12.006 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.575 7.177 9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.415 7.745 7.984 1.00 0.00 H new ATOM 702 N LEU A 54 -10.146 4.703 14.506 1.00 0.00 N ATOM 703 CA LEU A 54 -10.700 3.748 15.508 1.00 0.00 C ATOM 704 C LEU A 54 -12.167 4.071 15.821 1.00 0.00 C ATOM 705 O LEU A 54 -12.475 4.720 16.801 1.00 0.00 O ATOM 706 CB LEU A 54 -9.880 3.833 16.796 1.00 0.00 C ATOM 707 CG LEU A 54 -10.215 2.640 17.695 1.00 0.00 C ATOM 708 CD1 LEU A 54 -9.031 1.671 17.716 1.00 0.00 C ATOM 709 CD2 LEU A 54 -10.496 3.133 19.115 1.00 0.00 C ATOM 0 H LEU A 54 -10.204 5.688 14.764 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.646 2.742 15.093 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.815 3.838 16.562 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.096 4.766 17.316 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.097 2.129 17.308 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.268 0.821 18.356 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.831 1.319 16.704 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.149 2.182 18.103 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.734 2.283 19.755 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.615 3.644 19.504 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.339 3.824 19.100 1.00 0.00 H new ATOM 721 N VAL A 55 -13.072 3.589 15.015 1.00 0.00 N ATOM 722 CA VAL A 55 -14.518 3.822 15.277 1.00 0.00 C ATOM 723 C VAL A 55 -15.146 2.446 15.499 1.00 0.00 C ATOM 724 O VAL A 55 -14.458 1.526 15.896 1.00 0.00 O ATOM 725 CB VAL A 55 -15.150 4.528 14.068 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.457 3.514 12.962 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.443 5.226 14.499 1.00 0.00 C ATOM 0 H VAL A 55 -12.869 3.040 14.180 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.677 4.458 16.148 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.447 5.267 13.684 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.905 4.028 12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.533 3.028 12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.152 2.764 13.339 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.890 5.726 13.640 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.141 4.487 14.893 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.219 5.962 15.272 1.00 0.00 H new ATOM 737 N SER A 56 -16.421 2.268 15.247 1.00 0.00 N ATOM 738 CA SER A 56 -17.015 0.908 15.448 1.00 0.00 C ATOM 739 C SER A 56 -16.031 -0.139 14.920 1.00 0.00 C ATOM 740 O SER A 56 -15.954 -1.241 15.409 1.00 0.00 O ATOM 741 CB SER A 56 -18.336 0.783 14.675 1.00 0.00 C ATOM 742 OG SER A 56 -18.077 0.895 13.283 1.00 0.00 O ATOM 0 H SER A 56 -17.064 2.988 14.918 1.00 0.00 H new ATOM 0 HA SER A 56 -17.209 0.754 16.510 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.809 -0.175 14.893 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.031 1.561 14.991 1.00 0.00 H new ATOM 0 HG SER A 56 -18.918 0.814 12.786 1.00 0.00 H new ATOM 748 N GLY A 57 -15.260 0.226 13.937 1.00 0.00 N ATOM 749 CA GLY A 57 -14.250 -0.702 13.366 1.00 0.00 C ATOM 750 C GLY A 57 -13.031 0.151 12.988 1.00 0.00 C ATOM 751 O GLY A 57 -13.114 1.363 13.005 1.00 0.00 O ATOM 0 H GLY A 57 -15.288 1.146 13.497 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.976 -1.469 14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.648 -1.217 12.492 1.00 0.00 H new ATOM 755 N ILE A 58 -11.899 -0.419 12.649 1.00 0.00 N ATOM 756 CA ILE A 58 -10.759 0.469 12.299 1.00 0.00 C ATOM 757 C ILE A 58 -10.752 0.742 10.807 1.00 0.00 C ATOM 758 O ILE A 58 -11.005 -0.128 10.002 1.00 0.00 O ATOM 759 CB ILE A 58 -9.443 -0.198 12.659 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.356 -0.364 14.166 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.281 0.657 12.164 1.00 0.00 C ATOM 762 CD1 ILE A 58 -10.057 -1.660 14.531 1.00 0.00 C ATOM 0 H ILE A 58 -11.723 -1.423 12.602 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.873 1.400 12.855 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.391 -1.178 12.185 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.315 -0.389 14.488 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.826 0.480 14.671 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.338 0.175 12.424 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.346 0.767 11.082 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.327 1.640 12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.011 -1.807 15.610 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.099 -1.611 14.216 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.565 -2.494 14.030 1.00 0.00 H new ATOM 774 N LYS A 59 -10.412 1.930 10.431 1.00 0.00 N ATOM 775 CA LYS A 59 -10.323 2.237 8.988 1.00 0.00 C ATOM 776 C LYS A 59 -8.852 2.453 8.704 1.00 0.00 C ATOM 777 O LYS A 59 -8.163 3.118 9.440 1.00 0.00 O ATOM 778 CB LYS A 59 -11.119 3.496 8.641 1.00 0.00 C ATOM 779 CG LYS A 59 -12.184 3.752 9.711 1.00 0.00 C ATOM 780 CD LYS A 59 -13.367 4.495 9.085 1.00 0.00 C ATOM 781 CE LYS A 59 -14.259 5.058 10.194 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.140 6.542 10.222 1.00 0.00 N ATOM 0 H LYS A 59 -10.191 2.703 11.059 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.740 1.428 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.449 4.353 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.592 3.380 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.519 2.807 10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.762 4.339 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.007 5.303 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.940 3.819 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.296 4.769 10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.966 4.641 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.746 6.925 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.151 6.808 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.440 6.932 9.305 1.00 0.00 H new ATOM 796 N TYR A 60 -8.356 1.873 7.674 1.00 0.00 N ATOM 797 CA TYR A 60 -6.906 2.017 7.379 1.00 0.00 C ATOM 798 C TYR A 60 -6.725 2.953 6.197 1.00 0.00 C ATOM 799 O TYR A 60 -6.833 2.549 5.062 1.00 0.00 O ATOM 800 CB TYR A 60 -6.327 0.652 7.039 1.00 0.00 C ATOM 801 CG TYR A 60 -6.207 -0.212 8.288 1.00 0.00 C ATOM 802 CD1 TYR A 60 -7.305 -0.379 9.153 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.002 -0.870 8.572 1.00 0.00 C ATOM 804 CE1 TYR A 60 -7.188 -1.191 10.283 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.892 -1.683 9.701 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.984 -1.845 10.557 1.00 0.00 C ATOM 807 OH TYR A 60 -5.875 -2.651 11.672 1.00 0.00 O ATOM 0 H TYR A 60 -8.882 1.301 7.014 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.391 2.426 8.249 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.963 0.154 6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.346 0.772 6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.239 0.121 8.942 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.155 -0.747 7.914 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.031 -1.314 10.947 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.961 -2.188 9.913 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.075 -3.212 11.593 1.00 0.00 H new ATOM 817 N ILE A 61 -6.432 4.199 6.434 1.00 0.00 N ATOM 818 CA ILE A 61 -6.246 5.110 5.290 1.00 0.00 C ATOM 819 C ILE A 61 -4.767 5.180 4.980 1.00 0.00 C ATOM 820 O ILE A 61 -3.960 5.569 5.797 1.00 0.00 O ATOM 821 CB ILE A 61 -6.710 6.505 5.628 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.664 6.493 6.828 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.414 7.121 4.418 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.846 5.569 6.532 1.00 0.00 C ATOM 0 H ILE A 61 -6.316 4.615 7.358 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.824 4.735 4.445 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.837 7.102 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.138 6.154 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.020 7.503 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.748 8.129 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.722 7.164 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.275 6.510 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.524 5.561 7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.377 5.928 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.481 4.558 6.349 1.00 0.00 H new ATOM 836 N LEU A 62 -4.409 4.774 3.825 1.00 0.00 N ATOM 837 CA LEU A 62 -3.020 4.754 3.437 1.00 0.00 C ATOM 838 C LEU A 62 -2.782 5.622 2.220 1.00 0.00 C ATOM 839 O LEU A 62 -3.644 5.806 1.387 1.00 0.00 O ATOM 840 CB LEU A 62 -2.736 3.341 3.078 1.00 0.00 C ATOM 841 CG LEU A 62 -1.292 3.036 3.352 1.00 0.00 C ATOM 842 CD1 LEU A 62 -1.133 1.540 3.336 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.441 3.654 2.264 1.00 0.00 C ATOM 0 H LEU A 62 -5.055 4.443 3.109 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.385 5.130 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.376 2.673 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.962 3.170 2.026 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.982 3.440 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.092 1.283 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.767 1.098 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.424 1.154 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.610 3.437 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.727 3.238 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.592 4.733 2.253 1.00 0.00 H new ATOM 855 N GLN A 63 -1.599 6.106 2.096 1.00 0.00 N ATOM 856 CA GLN A 63 -1.234 6.906 0.927 1.00 0.00 C ATOM 857 C GLN A 63 0.219 6.652 0.662 1.00 0.00 C ATOM 858 O GLN A 63 1.014 6.505 1.565 1.00 0.00 O ATOM 859 CB GLN A 63 -1.368 8.374 1.183 1.00 0.00 C ATOM 860 CG GLN A 63 -2.814 8.828 0.992 1.00 0.00 C ATOM 861 CD GLN A 63 -3.524 8.870 2.346 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.877 7.845 2.894 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.752 10.022 2.915 1.00 0.00 N ATOM 0 H GLN A 63 -0.850 5.976 2.776 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.890 6.630 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.041 8.602 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.716 8.927 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.837 9.814 0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.334 8.146 0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.457 10.884 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.226 10.060 3.818 1.00 0.00 H new ATOM 872 N VAL A 64 0.565 6.652 -0.559 1.00 0.00 N ATOM 873 CA VAL A 64 1.992 6.443 -0.930 1.00 0.00 C ATOM 874 C VAL A 64 2.179 6.796 -2.402 1.00 0.00 C ATOM 875 O VAL A 64 1.332 6.508 -3.219 1.00 0.00 O ATOM 876 CB VAL A 64 2.436 4.957 -0.729 1.00 0.00 C ATOM 877 CG1 VAL A 64 1.853 4.364 0.549 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.963 4.109 -1.901 1.00 0.00 C ATOM 0 H VAL A 64 -0.072 6.788 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 64 2.598 7.079 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 64 3.524 4.952 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.184 3.331 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.194 4.943 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.764 4.394 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.277 3.076 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.876 4.152 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.397 4.491 -2.825 1.00 0.00 H new ATOM 888 N GLU A 65 3.295 7.361 -2.759 1.00 0.00 N ATOM 889 CA GLU A 65 3.543 7.648 -4.194 1.00 0.00 C ATOM 890 C GLU A 65 4.094 6.354 -4.787 1.00 0.00 C ATOM 891 O GLU A 65 5.251 6.254 -5.076 1.00 0.00 O ATOM 892 CB GLU A 65 4.569 8.775 -4.338 1.00 0.00 C ATOM 893 CG GLU A 65 4.347 9.810 -3.233 1.00 0.00 C ATOM 894 CD GLU A 65 5.268 11.009 -3.465 1.00 0.00 C ATOM 895 OE1 GLU A 65 6.432 10.790 -3.756 1.00 0.00 O ATOM 896 OE2 GLU A 65 4.794 12.127 -3.346 1.00 0.00 O ATOM 0 H GLU A 65 4.043 7.635 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 65 2.634 7.969 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.580 8.372 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.474 9.246 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.306 10.133 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.549 9.366 -2.258 1.00 0.00 H new ATOM 903 N ILE A 66 3.245 5.362 -4.902 1.00 0.00 N ATOM 904 CA ILE A 66 3.634 3.994 -5.393 1.00 0.00 C ATOM 905 C ILE A 66 4.906 3.974 -6.196 1.00 0.00 C ATOM 906 O ILE A 66 5.272 4.897 -6.904 1.00 0.00 O ATOM 907 CB ILE A 66 2.482 3.354 -6.192 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.131 3.925 -5.766 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.424 1.844 -5.956 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.818 3.452 -4.352 1.00 0.00 C ATOM 0 H ILE A 66 2.256 5.445 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 66 3.832 3.402 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 66 2.675 3.573 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.154 5.014 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.351 3.599 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.602 1.417 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.363 1.390 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.265 1.647 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.145 3.855 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.780 2.363 -4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.595 3.800 -3.672 1.00 0.00 H new ATOM 922 N GLY A 67 5.570 2.861 -6.020 1.00 0.00 N ATOM 923 CA GLY A 67 6.854 2.571 -6.638 1.00 0.00 C ATOM 924 C GLY A 67 6.615 1.664 -7.853 1.00 0.00 C ATOM 925 O GLY A 67 5.537 1.129 -8.014 1.00 0.00 O ATOM 0 H GLY A 67 5.229 2.104 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.344 3.495 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.516 2.081 -5.924 1.00 0.00 H new ATOM 929 N ARG A 68 7.604 1.427 -8.678 1.00 0.00 N ATOM 930 CA ARG A 68 7.393 0.544 -9.847 1.00 0.00 C ATOM 931 C ARG A 68 8.758 0.142 -10.309 1.00 0.00 C ATOM 932 O ARG A 68 9.732 0.812 -10.022 1.00 0.00 O ATOM 933 CB ARG A 68 6.657 1.273 -10.976 1.00 0.00 C ATOM 934 CG ARG A 68 5.338 1.848 -10.457 1.00 0.00 C ATOM 935 CD ARG A 68 4.517 2.385 -11.632 1.00 0.00 C ATOM 936 NE ARG A 68 3.066 2.272 -11.315 1.00 0.00 N ATOM 937 CZ ARG A 68 2.222 1.906 -12.241 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.394 0.776 -12.870 1.00 0.00 N ATOM 939 NH2 ARG A 68 1.207 2.670 -12.539 1.00 0.00 N ATOM 0 H ARG A 68 8.545 1.810 -8.586 1.00 0.00 H new ATOM 0 HA ARG A 68 6.779 -0.314 -9.574 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.282 2.074 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.464 0.585 -11.799 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.776 1.078 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.534 2.647 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.778 3.425 -11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.747 1.824 -12.537 1.00 0.00 H new ATOM 0 HE ARG A 68 2.732 2.481 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.188 0.179 -12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.735 0.490 -13.594 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.073 3.554 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.548 2.383 -13.263 1.00 0.00 H new ATOM 953 N THR A 69 8.890 -0.959 -10.956 1.00 0.00 N ATOM 954 CA THR A 69 10.226 -1.361 -11.321 1.00 0.00 C ATOM 955 C THR A 69 10.198 -2.139 -12.635 1.00 0.00 C ATOM 956 O THR A 69 10.032 -3.348 -12.647 1.00 0.00 O ATOM 957 CB THR A 69 10.762 -2.198 -10.169 1.00 0.00 C ATOM 958 OG1 THR A 69 10.411 -3.561 -10.354 1.00 0.00 O ATOM 959 CG2 THR A 69 10.174 -1.673 -8.842 1.00 0.00 C ATOM 0 H THR A 69 8.135 -1.583 -11.240 1.00 0.00 H new ATOM 0 HA THR A 69 10.877 -0.503 -11.486 1.00 0.00 H new ATOM 0 HB THR A 69 11.849 -2.121 -10.138 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.613 -3.829 -11.275 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.555 -2.270 -8.014 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.464 -0.632 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.087 -1.746 -8.872 1.00 0.00 H new ATOM 967 N THR A 70 10.329 -1.429 -13.740 1.00 0.00 N ATOM 968 CA THR A 70 10.288 -2.084 -15.093 1.00 0.00 C ATOM 969 C THR A 70 10.875 -3.501 -15.021 1.00 0.00 C ATOM 970 O THR A 70 10.155 -4.457 -14.813 1.00 0.00 O ATOM 971 CB THR A 70 11.065 -1.249 -16.138 1.00 0.00 C ATOM 972 OG1 THR A 70 11.321 -2.056 -17.277 1.00 0.00 O ATOM 973 CG2 THR A 70 12.401 -0.727 -15.584 1.00 0.00 C ATOM 0 H THR A 70 10.463 -0.418 -13.760 1.00 0.00 H new ATOM 0 HA THR A 70 9.245 -2.144 -15.403 1.00 0.00 H new ATOM 0 HB THR A 70 10.452 -0.387 -16.400 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.812 -1.533 -17.945 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.912 -0.147 -16.352 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.213 -0.094 -14.716 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.027 -1.569 -15.290 1.00 0.00 H new ATOM 981 N CYS A 71 12.170 -3.637 -15.194 1.00 0.00 N ATOM 982 CA CYS A 71 12.829 -4.979 -15.137 1.00 0.00 C ATOM 983 C CYS A 71 12.052 -5.909 -14.199 1.00 0.00 C ATOM 984 O CYS A 71 12.271 -5.901 -13.003 1.00 0.00 O ATOM 985 CB CYS A 71 14.262 -4.792 -14.617 1.00 0.00 C ATOM 986 SG CYS A 71 14.951 -6.379 -14.081 1.00 0.00 S ATOM 0 H CYS A 71 12.806 -2.861 -15.375 1.00 0.00 H new ATOM 0 HA CYS A 71 12.845 -5.427 -16.130 1.00 0.00 H new ATOM 0 HB2 CYS A 71 14.887 -4.363 -15.400 1.00 0.00 H new ATOM 0 HB3 CYS A 71 14.265 -4.087 -13.785 1.00 0.00 H new ATOM 991 N PRO A 72 11.157 -6.680 -14.768 1.00 0.00 N ATOM 992 CA PRO A 72 10.308 -7.639 -13.999 1.00 0.00 C ATOM 993 C PRO A 72 11.145 -8.858 -13.570 1.00 0.00 C ATOM 994 O PRO A 72 12.336 -8.882 -13.789 1.00 0.00 O ATOM 995 CB PRO A 72 9.235 -8.036 -15.005 1.00 0.00 C ATOM 996 CG PRO A 72 9.815 -7.790 -16.389 1.00 0.00 C ATOM 997 CD PRO A 72 10.881 -6.706 -16.244 1.00 0.00 C ATOM 0 HA PRO A 72 9.892 -7.220 -13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.959 -9.083 -14.882 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.329 -7.448 -14.856 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.249 -8.705 -16.793 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.036 -7.473 -17.082 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.778 -6.946 -16.816 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.523 -5.741 -16.602 1.00 0.00 H new ATOM 1005 N LYS A 73 10.525 -9.863 -12.974 1.00 0.00 N ATOM 1006 CA LYS A 73 11.264 -11.094 -12.530 1.00 0.00 C ATOM 1007 C LYS A 73 10.597 -11.628 -11.258 1.00 0.00 C ATOM 1008 O LYS A 73 10.098 -12.736 -11.226 1.00 0.00 O ATOM 1009 CB LYS A 73 12.738 -10.778 -12.227 1.00 0.00 C ATOM 1010 CG LYS A 73 13.407 -11.982 -11.554 1.00 0.00 C ATOM 1011 CD LYS A 73 14.084 -12.850 -12.618 1.00 0.00 C ATOM 1012 CE LYS A 73 15.602 -12.758 -12.461 1.00 0.00 C ATOM 1013 NZ LYS A 73 16.194 -12.151 -13.687 1.00 0.00 N ATOM 0 H LYS A 73 9.525 -9.878 -12.776 1.00 0.00 H new ATOM 0 HA LYS A 73 11.229 -11.833 -13.330 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.262 -10.530 -13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.805 -9.905 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.142 -11.642 -10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.665 -12.567 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.760 -13.886 -12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.790 -12.519 -13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.852 -12.156 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.022 -13.750 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.227 -12.089 -13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.967 -12.742 -14.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.802 -11.198 -13.826 1.00 0.00 H new ATOM 1027 N SER A 74 10.587 -10.847 -10.207 1.00 0.00 N ATOM 1028 CA SER A 74 9.957 -11.309 -8.940 1.00 0.00 C ATOM 1029 C SER A 74 10.397 -10.388 -7.796 1.00 0.00 C ATOM 1030 O SER A 74 9.588 -9.924 -7.017 1.00 0.00 O ATOM 1031 CB SER A 74 10.401 -12.742 -8.640 1.00 0.00 C ATOM 1032 OG SER A 74 11.673 -12.976 -9.226 1.00 0.00 O ATOM 0 H SER A 74 10.989 -9.910 -10.175 1.00 0.00 H new ATOM 0 HA SER A 74 8.872 -11.281 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.450 -12.901 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.672 -13.450 -9.034 1.00 0.00 H new ATOM 0 HG SER A 74 11.958 -13.893 -9.033 1.00 0.00 H new ATOM 1038 N SER A 75 11.674 -10.114 -7.688 1.00 0.00 N ATOM 1039 CA SER A 75 12.154 -9.222 -6.597 1.00 0.00 C ATOM 1040 C SER A 75 13.169 -8.225 -7.162 1.00 0.00 C ATOM 1041 O SER A 75 12.810 -7.205 -7.715 1.00 0.00 O ATOM 1042 CB SER A 75 12.805 -10.064 -5.498 1.00 0.00 C ATOM 1043 OG SER A 75 13.500 -11.154 -6.086 1.00 0.00 O ATOM 0 H SER A 75 12.401 -10.471 -8.309 1.00 0.00 H new ATOM 0 HA SER A 75 11.311 -8.674 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.493 -9.452 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.045 -10.433 -4.809 1.00 0.00 H new ATOM 0 HG SER A 75 13.919 -11.693 -5.383 1.00 0.00 H new ATOM 1049 N GLY A 76 14.432 -8.512 -7.030 1.00 0.00 N ATOM 1050 CA GLY A 76 15.470 -7.582 -7.560 1.00 0.00 C ATOM 1051 C GLY A 76 16.404 -7.160 -6.424 1.00 0.00 C ATOM 1052 O GLY A 76 16.314 -6.064 -5.908 1.00 0.00 O ATOM 0 H GLY A 76 14.793 -9.352 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.040 -8.069 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.997 -6.705 -8.001 1.00 0.00 H new ATOM 1056 N ASP A 77 17.302 -8.021 -6.029 1.00 0.00 N ATOM 1057 CA ASP A 77 18.239 -7.667 -4.926 1.00 0.00 C ATOM 1058 C ASP A 77 19.612 -7.329 -5.510 1.00 0.00 C ATOM 1059 O ASP A 77 20.487 -6.841 -4.821 1.00 0.00 O ATOM 1060 CB ASP A 77 18.372 -8.855 -3.969 1.00 0.00 C ATOM 1061 CG ASP A 77 17.407 -8.675 -2.796 1.00 0.00 C ATOM 1062 OD1 ASP A 77 16.242 -9.002 -2.958 1.00 0.00 O ATOM 1063 OD2 ASP A 77 17.850 -8.217 -1.755 1.00 0.00 O ATOM 0 H ASP A 77 17.427 -8.954 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 77 17.852 -6.804 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.154 -9.785 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.396 -8.928 -3.603 1.00 0.00 H new ATOM 1068 N LEU A 78 19.808 -7.585 -6.774 1.00 0.00 N ATOM 1069 CA LEU A 78 21.127 -7.281 -7.398 1.00 0.00 C ATOM 1070 C LEU A 78 20.925 -6.337 -8.589 1.00 0.00 C ATOM 1071 O LEU A 78 21.232 -5.163 -8.519 1.00 0.00 O ATOM 1072 CB LEU A 78 21.773 -8.581 -7.884 1.00 0.00 C ATOM 1073 CG LEU A 78 22.526 -9.250 -6.730 1.00 0.00 C ATOM 1074 CD1 LEU A 78 23.736 -8.398 -6.346 1.00 0.00 C ATOM 1075 CD2 LEU A 78 21.596 -9.389 -5.522 1.00 0.00 C ATOM 0 H LEU A 78 19.113 -7.991 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 78 21.775 -6.805 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 78 21.009 -9.255 -8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 78 22.459 -8.372 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 78 22.863 -10.238 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 78 24.271 -8.875 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 78 24.400 -8.302 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 78 23.400 -7.409 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.133 -9.865 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 78 21.257 -8.402 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 78 20.735 -9.999 -5.794 1.00 0.00 H new ATOM 1087 N GLN A 79 20.411 -6.839 -9.685 1.00 0.00 N ATOM 1088 CA GLN A 79 20.195 -5.965 -10.872 1.00 0.00 C ATOM 1089 C GLN A 79 19.590 -4.634 -10.430 1.00 0.00 C ATOM 1090 O GLN A 79 19.030 -4.519 -9.356 1.00 0.00 O ATOM 1091 CB GLN A 79 19.245 -6.658 -11.850 1.00 0.00 C ATOM 1092 CG GLN A 79 19.981 -6.946 -13.159 1.00 0.00 C ATOM 1093 CD GLN A 79 20.537 -5.638 -13.728 1.00 0.00 C ATOM 1094 OE1 GLN A 79 21.631 -5.232 -13.391 1.00 0.00 O ATOM 1095 NE2 GLN A 79 19.824 -4.957 -14.583 1.00 0.00 N ATOM 0 H GLN A 79 20.134 -7.813 -9.806 1.00 0.00 H new ATOM 0 HA GLN A 79 21.151 -5.780 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 79 18.874 -7.587 -11.417 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.377 -6.026 -12.040 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.792 -7.654 -12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 79 19.303 -7.408 -13.876 1.00 0.00 H new ATOM 0 HE21 GLN A 79 18.905 -5.297 -14.866 1.00 0.00 H new ATOM 0 HE22 GLN A 79 20.186 -4.084 -14.968 1.00 0.00 H new ATOM 1104 N SER A 80 19.704 -3.624 -11.247 1.00 0.00 N ATOM 1105 CA SER A 80 19.142 -2.294 -10.877 1.00 0.00 C ATOM 1106 C SER A 80 17.680 -2.203 -11.321 1.00 0.00 C ATOM 1107 O SER A 80 17.159 -1.128 -11.545 1.00 0.00 O ATOM 1108 CB SER A 80 19.952 -1.193 -11.565 1.00 0.00 C ATOM 1109 OG SER A 80 20.810 -0.573 -10.618 1.00 0.00 O ATOM 0 H SER A 80 20.163 -3.662 -12.157 1.00 0.00 H new ATOM 0 HA SER A 80 19.195 -2.170 -9.795 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.538 -1.615 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 80 19.282 -0.453 -12.003 1.00 0.00 H new ATOM 0 HG SER A 80 21.330 0.131 -11.059 1.00 0.00 H new ATOM 1115 N CYS A 81 17.008 -3.316 -11.446 1.00 0.00 N ATOM 1116 CA CYS A 81 15.580 -3.274 -11.872 1.00 0.00 C ATOM 1117 C CYS A 81 14.854 -2.188 -11.073 1.00 0.00 C ATOM 1118 O CYS A 81 14.851 -2.201 -9.858 1.00 0.00 O ATOM 1119 CB CYS A 81 14.924 -4.631 -11.605 1.00 0.00 C ATOM 1120 SG CYS A 81 15.917 -5.944 -12.359 1.00 0.00 S ATOM 0 H CYS A 81 17.384 -4.248 -11.272 1.00 0.00 H new ATOM 0 HA CYS A 81 15.520 -3.051 -12.937 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.836 -4.799 -10.532 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.914 -4.645 -12.014 1.00 0.00 H new ATOM 1125 N GLU A 82 14.245 -1.241 -11.739 1.00 0.00 N ATOM 1126 CA GLU A 82 13.536 -0.161 -10.994 1.00 0.00 C ATOM 1127 C GLU A 82 12.581 0.589 -11.926 1.00 0.00 C ATOM 1128 O GLU A 82 12.499 0.314 -13.108 1.00 0.00 O ATOM 1129 CB GLU A 82 14.564 0.821 -10.430 1.00 0.00 C ATOM 1130 CG GLU A 82 14.310 1.022 -8.935 1.00 0.00 C ATOM 1131 CD GLU A 82 15.640 1.275 -8.221 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.485 1.934 -8.803 1.00 0.00 O ATOM 1133 OE2 GLU A 82 15.791 0.803 -7.106 1.00 0.00 O ATOM 0 H GLU A 82 14.208 -1.169 -12.756 1.00 0.00 H new ATOM 0 HA GLU A 82 12.962 -0.608 -10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.573 0.440 -10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.496 1.775 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.636 1.864 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.822 0.142 -8.517 1.00 0.00 H new ATOM 1140 N PHE A 83 11.840 1.519 -11.369 1.00 0.00 N ATOM 1141 CA PHE A 83 10.855 2.323 -12.169 1.00 0.00 C ATOM 1142 C PHE A 83 11.373 2.463 -13.606 1.00 0.00 C ATOM 1143 O PHE A 83 10.720 2.084 -14.558 1.00 0.00 O ATOM 1144 CB PHE A 83 10.762 3.713 -11.562 1.00 0.00 C ATOM 1145 CG PHE A 83 9.472 3.948 -10.789 1.00 0.00 C ATOM 1146 CD1 PHE A 83 8.239 4.132 -11.449 1.00 0.00 C ATOM 1147 CD2 PHE A 83 9.524 4.048 -9.398 1.00 0.00 C ATOM 1148 CE1 PHE A 83 7.072 4.397 -10.710 1.00 0.00 C ATOM 1149 CE2 PHE A 83 8.377 4.310 -8.677 1.00 0.00 C ATOM 1150 CZ PHE A 83 7.151 4.485 -9.304 1.00 0.00 C ATOM 0 H PHE A 83 11.876 1.760 -10.378 1.00 0.00 H new ATOM 0 HA PHE A 83 9.882 1.832 -12.164 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.610 3.868 -10.895 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.841 4.455 -12.357 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.191 4.069 -12.526 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.465 3.920 -8.884 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.126 4.532 -11.213 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.434 4.380 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.265 4.687 -8.720 1.00 0.00 H new ATOM 1160 N HIS A 84 12.568 2.993 -13.756 1.00 0.00 N ATOM 1161 CA HIS A 84 13.168 3.145 -15.111 1.00 0.00 C ATOM 1162 C HIS A 84 14.664 3.413 -14.974 1.00 0.00 C ATOM 1163 O HIS A 84 15.233 4.260 -15.634 1.00 0.00 O ATOM 1164 CB HIS A 84 12.495 4.278 -15.866 1.00 0.00 C ATOM 1165 CG HIS A 84 11.745 3.722 -17.044 1.00 0.00 C ATOM 1166 ND1 HIS A 84 12.362 3.464 -18.258 1.00 0.00 N ATOM 1167 CD2 HIS A 84 10.428 3.372 -17.210 1.00 0.00 C ATOM 1168 CE1 HIS A 84 11.425 2.980 -19.094 1.00 0.00 C ATOM 1169 NE2 HIS A 84 10.228 2.903 -18.506 1.00 0.00 N ATOM 0 H HIS A 84 13.151 3.327 -12.989 1.00 0.00 H new ATOM 0 HA HIS A 84 13.017 2.225 -15.675 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.812 4.813 -15.206 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.241 4.998 -16.203 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.663 3.449 -16.451 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.617 2.689 -20.116 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.355 2.572 -18.918 1.00 0.00 H new ATOM 1177 N ASP A 85 15.293 2.652 -14.134 1.00 0.00 N ATOM 1178 CA ASP A 85 16.769 2.768 -13.921 1.00 0.00 C ATOM 1179 C ASP A 85 17.200 4.196 -13.546 1.00 0.00 C ATOM 1180 O ASP A 85 18.243 4.645 -13.970 1.00 0.00 O ATOM 1181 CB ASP A 85 17.491 2.355 -15.205 1.00 0.00 C ATOM 1182 CG ASP A 85 16.957 1.000 -15.676 1.00 0.00 C ATOM 1183 OD1 ASP A 85 15.748 0.851 -15.737 1.00 0.00 O ATOM 1184 OD2 ASP A 85 17.766 0.136 -15.968 1.00 0.00 O ATOM 0 H ASP A 85 14.841 1.934 -13.568 1.00 0.00 H new ATOM 0 HA ASP A 85 17.033 2.114 -13.090 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.338 3.107 -15.979 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.565 2.293 -15.028 1.00 0.00 H new ATOM 1189 N GLU A 86 16.442 4.900 -12.738 1.00 0.00 N ATOM 1190 CA GLU A 86 16.871 6.284 -12.338 1.00 0.00 C ATOM 1191 C GLU A 86 15.682 7.100 -11.817 1.00 0.00 C ATOM 1192 O GLU A 86 14.546 6.783 -12.098 1.00 0.00 O ATOM 1193 CB GLU A 86 17.477 7.021 -13.540 1.00 0.00 C ATOM 1194 CG GLU A 86 16.649 6.731 -14.796 1.00 0.00 C ATOM 1195 CD GLU A 86 17.580 6.316 -15.937 1.00 0.00 C ATOM 1196 OE1 GLU A 86 18.781 6.450 -15.773 1.00 0.00 O ATOM 1197 OE2 GLU A 86 17.075 5.871 -16.955 1.00 0.00 O ATOM 0 H GLU A 86 15.557 4.584 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 86 17.614 6.182 -11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.499 8.094 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.508 6.703 -13.691 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.928 5.939 -14.594 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.079 7.615 -15.081 1.00 0.00 H new ATOM 1204 N PRO A 87 16.000 8.154 -11.094 1.00 0.00 N ATOM 1205 CA PRO A 87 14.999 9.107 -10.505 1.00 0.00 C ATOM 1206 C PRO A 87 14.492 10.047 -11.592 1.00 0.00 C ATOM 1207 O PRO A 87 13.315 10.338 -11.694 1.00 0.00 O ATOM 1208 CB PRO A 87 15.813 9.868 -9.466 1.00 0.00 C ATOM 1209 CG PRO A 87 17.272 9.774 -9.886 1.00 0.00 C ATOM 1210 CD PRO A 87 17.416 8.538 -10.778 1.00 0.00 C ATOM 0 HA PRO A 87 14.122 8.620 -10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.494 10.909 -9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.669 9.439 -8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.575 10.672 -10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.918 9.693 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.981 8.762 -11.683 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.943 7.734 -10.264 1.00 0.00 H new ATOM 1218 N GLU A 88 15.388 10.513 -12.405 1.00 0.00 N ATOM 1219 CA GLU A 88 15.015 11.441 -13.505 1.00 0.00 C ATOM 1220 C GLU A 88 13.923 10.819 -14.380 1.00 0.00 C ATOM 1221 O GLU A 88 13.281 11.505 -15.151 1.00 0.00 O ATOM 1222 CB GLU A 88 16.248 11.727 -14.363 1.00 0.00 C ATOM 1223 CG GLU A 88 16.198 13.170 -14.866 1.00 0.00 C ATOM 1224 CD GLU A 88 17.526 13.866 -14.552 1.00 0.00 C ATOM 1225 OE1 GLU A 88 18.002 13.714 -13.439 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.042 14.538 -15.429 1.00 0.00 O ATOM 0 H GLU A 88 16.382 10.288 -12.355 1.00 0.00 H new ATOM 0 HA GLU A 88 14.637 12.368 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.155 11.565 -13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.284 11.038 -15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.012 13.186 -15.940 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.374 13.704 -14.392 1.00 0.00 H new ATOM 1233 N LEU A 89 13.696 9.535 -14.278 1.00 0.00 N ATOM 1234 CA LEU A 89 12.644 8.917 -15.118 1.00 0.00 C ATOM 1235 C LEU A 89 11.981 7.794 -14.332 1.00 0.00 C ATOM 1236 O LEU A 89 11.565 6.802 -14.890 1.00 0.00 O ATOM 1237 CB LEU A 89 13.271 8.351 -16.393 1.00 0.00 C ATOM 1238 CG LEU A 89 13.718 9.504 -17.295 1.00 0.00 C ATOM 1239 CD1 LEU A 89 14.707 8.982 -18.339 1.00 0.00 C ATOM 1240 CD2 LEU A 89 12.499 10.101 -18.002 1.00 0.00 C ATOM 0 H LEU A 89 14.191 8.898 -13.654 1.00 0.00 H new ATOM 0 HA LEU A 89 11.901 9.667 -15.389 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.123 7.719 -16.143 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.551 7.723 -16.917 1.00 0.00 H new ATOM 0 HG LEU A 89 14.200 10.272 -16.690 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.025 9.803 -18.981 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.576 8.557 -17.837 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.226 8.214 -18.944 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.817 10.922 -18.644 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.017 9.333 -18.607 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.794 10.474 -17.259 1.00 0.00 H new ATOM 1252 N ALA A 90 11.847 7.949 -13.043 1.00 0.00 N ATOM 1253 CA ALA A 90 11.182 6.894 -12.253 1.00 0.00 C ATOM 1254 C ALA A 90 10.141 7.548 -11.379 1.00 0.00 C ATOM 1255 O ALA A 90 10.201 7.485 -10.169 1.00 0.00 O ATOM 1256 CB ALA A 90 12.173 6.128 -11.381 1.00 0.00 C ATOM 0 H ALA A 90 12.170 8.758 -12.512 1.00 0.00 H new ATOM 0 HA ALA A 90 10.727 6.177 -12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.643 5.361 -10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.926 5.658 -12.013 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.658 6.817 -10.690 1.00 0.00 H new ATOM 1262 N LYS A 91 9.192 8.189 -11.985 1.00 0.00 N ATOM 1263 CA LYS A 91 8.154 8.854 -11.207 1.00 0.00 C ATOM 1264 C LYS A 91 7.525 7.846 -10.276 1.00 0.00 C ATOM 1265 O LYS A 91 8.022 6.764 -10.046 1.00 0.00 O ATOM 1266 CB LYS A 91 7.081 9.431 -12.134 1.00 0.00 C ATOM 1267 CG LYS A 91 7.735 9.991 -13.401 1.00 0.00 C ATOM 1268 CD LYS A 91 6.991 11.250 -13.847 1.00 0.00 C ATOM 1269 CE LYS A 91 6.232 10.961 -15.144 1.00 0.00 C ATOM 1270 NZ LYS A 91 4.893 11.612 -15.092 1.00 0.00 N ATOM 0 H LYS A 91 9.100 8.275 -12.997 1.00 0.00 H new ATOM 0 HA LYS A 91 8.597 9.670 -10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.361 8.657 -12.398 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.529 10.218 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.783 10.224 -13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.714 9.244 -14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.296 11.569 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.696 12.067 -14.000 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.796 11.334 -15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.120 9.885 -15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.377 11.416 -15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.355 11.236 -14.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.011 12.639 -14.981 1.00 0.00 H new ATOM 1284 N TYR A 92 6.454 8.239 -9.720 1.00 0.00 N ATOM 1285 CA TYR A 92 5.729 7.427 -8.755 1.00 0.00 C ATOM 1286 C TYR A 92 4.254 7.734 -8.940 1.00 0.00 C ATOM 1287 O TYR A 92 3.886 8.581 -9.730 1.00 0.00 O ATOM 1288 CB TYR A 92 6.225 7.897 -7.414 1.00 0.00 C ATOM 1289 CG TYR A 92 7.740 7.783 -7.423 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.539 8.839 -7.893 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.344 6.590 -7.014 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.932 8.695 -7.940 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.734 6.445 -7.069 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.529 7.497 -7.531 1.00 0.00 C ATOM 1295 OH TYR A 92 11.900 7.355 -7.586 1.00 0.00 O ATOM 0 H TYR A 92 6.024 9.145 -9.905 1.00 0.00 H new ATOM 0 HA TYR A 92 5.873 6.352 -8.861 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.919 8.927 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.799 7.291 -6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.080 9.761 -8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.733 5.775 -6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.546 9.510 -8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.193 5.519 -6.754 1.00 0.00 H new ATOM 0 HH TYR A 92 12.150 6.463 -7.265 1.00 0.00 H new ATOM 1305 N THR A 93 3.410 7.073 -8.241 1.00 0.00 N ATOM 1306 CA THR A 93 1.950 7.366 -8.412 1.00 0.00 C ATOM 1307 C THR A 93 1.287 7.528 -7.047 1.00 0.00 C ATOM 1308 O THR A 93 1.665 6.901 -6.092 1.00 0.00 O ATOM 1309 CB THR A 93 1.271 6.265 -9.251 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.263 6.855 -10.060 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.633 5.185 -8.368 1.00 0.00 C ATOM 0 H THR A 93 3.642 6.348 -7.562 1.00 0.00 H new ATOM 0 HA THR A 93 1.834 8.304 -8.954 1.00 0.00 H new ATOM 0 HB THR A 93 2.036 5.790 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.172 6.161 -10.598 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.166 4.429 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.401 4.719 -7.751 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.122 5.639 -7.726 1.00 0.00 H new ATOM 1319 N THR A 94 0.311 8.384 -6.947 1.00 0.00 N ATOM 1320 CA THR A 94 -0.356 8.599 -5.632 1.00 0.00 C ATOM 1321 C THR A 94 -1.526 7.641 -5.469 1.00 0.00 C ATOM 1322 O THR A 94 -2.568 7.799 -6.075 1.00 0.00 O ATOM 1323 CB THR A 94 -0.857 10.041 -5.541 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.159 10.924 -5.996 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.209 10.371 -4.090 1.00 0.00 C ATOM 0 H THR A 94 -0.054 8.944 -7.717 1.00 0.00 H new ATOM 0 HA THR A 94 0.365 8.411 -4.837 1.00 0.00 H new ATOM 0 HB THR A 94 -1.745 10.156 -6.163 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.162 11.848 -5.940 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.566 11.399 -4.027 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.989 9.694 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.323 10.255 -3.465 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.361 6.646 -4.646 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.455 5.674 -4.426 1.00 0.00 C ATOM 1335 C CYS A 95 -2.895 5.725 -2.965 1.00 0.00 C ATOM 1336 O CYS A 95 -2.119 6.053 -2.075 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.946 4.280 -4.743 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.343 3.163 -5.005 1.00 0.00 S ATOM 0 H CYS A 95 -0.509 6.466 -4.115 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.300 5.919 -5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.318 4.306 -5.633 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.325 3.915 -3.925 1.00 0.00 H new ATOM 1343 N THR A 96 -4.134 5.392 -2.717 1.00 0.00 N ATOM 1344 CA THR A 96 -4.654 5.397 -1.328 1.00 0.00 C ATOM 1345 C THR A 96 -5.285 4.037 -1.023 1.00 0.00 C ATOM 1346 O THR A 96 -6.006 3.477 -1.833 1.00 0.00 O ATOM 1347 CB THR A 96 -5.716 6.487 -1.179 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.275 7.670 -1.831 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.950 6.773 0.304 1.00 0.00 C ATOM 0 H THR A 96 -4.811 5.115 -3.428 1.00 0.00 H new ATOM 0 HA THR A 96 -3.835 5.591 -0.635 1.00 0.00 H new ATOM 0 HB THR A 96 -6.649 6.151 -1.632 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.956 8.368 -1.737 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.707 7.550 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.291 5.864 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.019 7.109 0.761 1.00 0.00 H new ATOM 1357 N PHE A 97 -5.022 3.505 0.138 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.602 2.188 0.509 1.00 0.00 C ATOM 1359 C PHE A 97 -6.566 2.366 1.680 1.00 0.00 C ATOM 1360 O PHE A 97 -6.245 2.994 2.662 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.484 1.242 0.937 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.421 1.143 -0.157 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.780 1.226 -1.518 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.077 0.913 0.181 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.809 1.085 -2.509 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.117 0.762 -0.814 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.474 0.847 -2.156 1.00 0.00 C ATOM 0 H PHE A 97 -4.426 3.930 0.849 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.132 1.776 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.031 1.599 1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.895 0.254 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.810 1.399 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.787 0.853 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.086 1.159 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.088 0.578 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.724 0.730 -2.924 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.735 1.804 1.613 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.668 1.954 2.760 1.00 0.00 C ATOM 1379 C VAL A 98 -9.017 0.551 3.260 1.00 0.00 C ATOM 1380 O VAL A 98 -9.748 -0.181 2.623 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.916 2.716 2.305 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -11.115 2.344 3.180 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.655 4.220 2.415 1.00 0.00 C ATOM 0 H VAL A 98 -8.083 1.255 0.827 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.214 2.523 3.571 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.138 2.450 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.995 2.893 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.304 1.273 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.901 2.600 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.541 4.768 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.428 4.475 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.810 4.490 1.781 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.463 0.156 4.373 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.727 -1.217 4.878 1.00 0.00 C ATOM 1395 C VAL A 99 -9.493 -1.189 6.203 1.00 0.00 C ATOM 1396 O VAL A 99 -9.042 -0.640 7.183 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.376 -1.946 5.061 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.304 -2.656 6.420 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.220 -2.970 3.947 1.00 0.00 C ATOM 0 H VAL A 99 -7.842 0.723 4.951 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.347 -1.746 4.154 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.573 -1.210 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.342 -3.159 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.413 -1.923 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.106 -3.391 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.270 -3.492 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.038 -3.689 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.240 -2.464 2.982 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.622 -1.831 6.254 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.375 -1.874 7.534 1.00 0.00 C ATOM 1411 C TYR A 100 -10.957 -3.140 8.292 1.00 0.00 C ATOM 1412 O TYR A 100 -10.884 -4.212 7.719 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.869 -1.907 7.242 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.601 -1.101 8.285 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.472 0.291 8.303 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.403 -1.743 9.234 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.147 1.044 9.269 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.078 -0.991 10.201 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.949 0.404 10.220 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.616 1.145 11.174 1.00 0.00 O ATOM 0 H TYR A 100 -11.054 -2.324 5.472 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.157 -0.992 8.137 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.066 -1.502 6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.228 -2.936 7.243 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.851 0.785 7.571 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.501 -2.818 9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.049 2.119 9.281 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.699 -1.486 10.933 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.304 0.590 11.597 1.00 0.00 H new ATOM 1430 N SER A 101 -10.662 -3.037 9.566 1.00 0.00 N ATOM 1431 CA SER A 101 -10.235 -4.240 10.323 1.00 0.00 C ATOM 1432 C SER A 101 -11.077 -4.344 11.608 1.00 0.00 C ATOM 1433 O SER A 101 -11.047 -3.470 12.460 1.00 0.00 O ATOM 1434 CB SER A 101 -8.751 -4.103 10.648 1.00 0.00 C ATOM 1435 OG SER A 101 -8.037 -5.182 10.079 1.00 0.00 O ATOM 0 H SER A 101 -10.700 -2.173 10.106 1.00 0.00 H new ATOM 0 HA SER A 101 -10.386 -5.147 9.738 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.370 -3.158 10.261 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.605 -4.087 11.728 1.00 0.00 H new ATOM 0 HG SER A 101 -7.856 -5.854 10.769 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.841 -5.405 11.734 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.706 -5.606 12.940 1.00 0.00 C ATOM 1443 C ILE A 102 -11.999 -6.605 13.874 1.00 0.00 C ATOM 1444 O ILE A 102 -11.962 -7.783 13.588 1.00 0.00 O ATOM 1445 CB ILE A 102 -14.048 -6.193 12.484 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.425 -5.583 11.126 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -15.134 -5.865 13.514 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.911 -5.815 10.841 1.00 0.00 C ATOM 0 H ILE A 102 -11.902 -6.151 11.041 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.876 -4.664 13.461 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.961 -7.276 12.391 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.209 -4.515 11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.821 -6.031 10.337 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -16.085 -6.284 13.186 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.862 -6.294 14.478 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.228 -4.783 13.611 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.169 -5.379 9.876 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.115 -6.886 10.822 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.509 -5.346 11.622 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.432 -6.114 14.950 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.679 -6.963 15.936 1.00 0.00 C ATOM 1462 C PRO A 103 -11.581 -7.972 16.662 1.00 0.00 C ATOM 1463 O PRO A 103 -11.284 -9.150 16.696 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.091 -5.939 16.902 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.951 -4.692 16.782 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.467 -4.667 15.343 1.00 0.00 C ATOM 0 HA PRO A 103 -9.925 -7.584 15.453 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.099 -6.319 17.923 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.053 -5.720 16.652 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.778 -4.720 17.492 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.371 -3.796 17.003 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.475 -4.256 15.282 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.835 -4.058 14.697 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.654 -7.543 17.267 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.518 -8.520 17.999 1.00 0.00 C ATOM 1476 C TRP A 104 -13.981 -9.657 17.071 1.00 0.00 C ATOM 1477 O TRP A 104 -14.541 -10.635 17.525 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.745 -7.806 18.590 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.695 -7.388 17.508 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.594 -8.197 16.891 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.875 -6.067 16.923 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.296 -7.458 15.959 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.890 -6.142 15.939 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.257 -4.824 17.142 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.279 -5.025 15.202 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.647 -3.697 16.403 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.655 -3.798 15.435 1.00 0.00 C ATOM 0 H TRP A 104 -12.969 -6.573 17.289 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.925 -8.951 18.805 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.254 -8.469 19.290 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.424 -6.931 19.155 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.737 -9.248 17.096 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.026 -7.840 15.358 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.477 -4.736 17.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.057 -5.108 14.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.167 -2.746 16.581 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.949 -2.927 14.869 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.795 -9.536 15.782 1.00 0.00 N ATOM 1499 CA LEU A 105 -14.266 -10.583 14.859 1.00 0.00 C ATOM 1500 C LEU A 105 -13.194 -10.887 13.810 1.00 0.00 C ATOM 1501 O LEU A 105 -13.462 -11.537 12.820 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.458 -9.984 14.175 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.720 -10.836 14.311 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.759 -11.879 13.192 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.764 -11.539 15.671 1.00 0.00 C ATOM 0 H LEU A 105 -13.331 -8.745 15.336 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.495 -11.511 15.383 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.649 -8.995 14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.232 -9.847 13.118 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.587 -10.180 14.235 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.659 -12.485 13.291 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.765 -11.375 12.225 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.880 -12.520 13.262 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.672 -12.138 15.742 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.893 -12.186 15.774 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.759 -10.794 16.466 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.988 -10.427 14.024 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.892 -10.681 13.054 1.00 0.00 C ATOM 1519 C ASN A 106 -11.437 -10.691 11.625 1.00 0.00 C ATOM 1520 O ASN A 106 -11.255 -11.633 10.879 1.00 0.00 O ATOM 1521 CB ASN A 106 -10.260 -12.017 13.397 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.855 -12.095 12.796 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.817 -11.957 13.573 1.00 0.00 O flip ATOM 1524 ND2 ASN A 106 -8.701 -12.284 11.605 1.00 0.00 N flip ATOM 0 H ASN A 106 -11.717 -9.880 14.841 1.00 0.00 H new ATOM 0 HA ASN A 106 -10.144 -9.891 13.115 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.210 -12.139 14.479 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.876 -12.830 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.513 -12.392 10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.760 -12.335 11.214 1.00 0.00 H new ATOM 1531 N GLN A 107 -12.104 -9.637 11.249 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.672 -9.553 9.875 1.00 0.00 C ATOM 1533 C GLN A 107 -12.008 -8.394 9.131 1.00 0.00 C ATOM 1534 O GLN A 107 -12.339 -7.241 9.329 1.00 0.00 O ATOM 1535 CB GLN A 107 -14.180 -9.310 9.959 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.749 -9.152 8.547 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.298 -10.327 7.680 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -13.220 -10.211 6.953 1.00 0.00 O flip ATOM 1539 NE2 GLN A 107 -14.932 -11.364 7.664 1.00 0.00 N flip ATOM 0 H GLN A 107 -12.282 -8.824 11.839 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.488 -10.486 9.343 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.666 -10.143 10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.383 -8.415 10.547 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.838 -9.111 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.410 -8.213 8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.774 -11.456 8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.622 -12.143 7.083 1.00 0.00 H new ATOM 1548 N ILE A 108 -11.066 -8.695 8.283 1.00 0.00 N ATOM 1549 CA ILE A 108 -10.365 -7.625 7.525 1.00 0.00 C ATOM 1550 C ILE A 108 -10.955 -7.548 6.111 1.00 0.00 C ATOM 1551 O ILE A 108 -11.308 -8.554 5.526 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.863 -7.970 7.494 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -8.070 -6.840 8.157 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -8.367 -8.211 6.057 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.653 -6.744 7.589 1.00 0.00 C ATOM 0 H ILE A 108 -10.750 -9.644 8.082 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.494 -6.651 7.996 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.708 -8.896 8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.589 -5.893 8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.022 -7.010 9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.304 -8.452 6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.920 -9.040 5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.526 -7.312 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.118 -5.932 8.081 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.127 -7.683 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.703 -6.549 6.518 1.00 0.00 H new ATOM 1567 N LYS A 109 -11.071 -6.373 5.555 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.646 -6.271 4.184 1.00 0.00 C ATOM 1569 C LYS A 109 -11.144 -5.004 3.484 1.00 0.00 C ATOM 1570 O LYS A 109 -11.142 -3.926 4.050 1.00 0.00 O ATOM 1571 CB LYS A 109 -13.172 -6.228 4.277 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.760 -5.932 2.896 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.826 -6.977 2.560 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.986 -6.858 3.550 1.00 0.00 C ATOM 1575 NZ LYS A 109 -16.196 -8.170 4.227 1.00 0.00 N ATOM 0 H LYS A 109 -10.796 -5.489 5.984 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.332 -7.140 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.551 -7.180 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.482 -5.462 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.197 -4.934 2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.972 -5.946 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.186 -6.830 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.397 -7.978 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.771 -6.086 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.894 -6.556 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.984 -8.091 4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.419 -8.896 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.331 -8.440 4.737 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.737 -5.130 2.247 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.255 -3.940 1.492 1.00 0.00 C ATOM 1591 C LEU A 110 -11.442 -3.054 1.163 1.00 0.00 C ATOM 1592 O LEU A 110 -12.582 -3.463 1.272 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.576 -4.384 0.201 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.344 -3.513 -0.044 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.477 -3.474 1.216 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.534 -4.103 -1.192 1.00 0.00 C ATOM 0 H LEU A 110 -10.719 -6.008 1.728 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.536 -3.389 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.287 -5.433 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.269 -4.299 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.662 -2.501 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.600 -2.852 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.054 -3.057 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.158 -4.485 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.654 -3.486 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.221 -5.115 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.147 -4.131 -2.093 1.00 0.00 H new ATOM 1608 N LEU A 111 -11.199 -1.840 0.771 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.343 -0.945 0.454 1.00 0.00 C ATOM 1610 C LEU A 111 -11.928 0.091 -0.578 1.00 0.00 C ATOM 1611 O LEU A 111 -12.133 -0.072 -1.764 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.799 -0.235 1.731 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.957 -1.012 2.359 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.604 -1.374 3.804 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -15.219 -0.149 2.345 1.00 0.00 C ATOM 0 H LEU A 111 -10.272 -1.431 0.657 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.161 -1.542 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.971 -0.163 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.112 0.784 1.502 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.134 -1.923 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.429 -1.928 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.705 -1.990 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.427 -0.462 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.044 -0.703 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.043 0.763 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.472 0.110 1.317 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.357 1.160 -0.129 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.935 2.229 -1.084 1.00 0.00 C ATOM 1629 C GLU A 112 -9.465 2.052 -1.469 1.00 0.00 C ATOM 1630 O GLU A 112 -8.626 2.876 -1.165 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.142 3.613 -0.460 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.371 3.588 0.450 1.00 0.00 C ATOM 1633 CD GLU A 112 -13.261 4.793 0.138 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -12.721 5.821 -0.237 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -14.466 4.667 0.276 1.00 0.00 O ATOM 0 H GLU A 112 -11.160 1.349 0.854 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.548 2.148 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.260 3.901 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.272 4.360 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.928 2.663 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.063 3.611 1.495 1.00 0.00 H new ATOM 1642 N SER A 113 -9.159 0.993 -2.164 1.00 0.00 N ATOM 1643 CA SER A 113 -7.754 0.758 -2.611 1.00 0.00 C ATOM 1644 C SER A 113 -7.671 1.119 -4.091 1.00 0.00 C ATOM 1645 O SER A 113 -7.965 0.313 -4.952 1.00 0.00 O ATOM 1646 CB SER A 113 -7.393 -0.716 -2.418 1.00 0.00 C ATOM 1647 OG SER A 113 -8.353 -1.528 -3.075 1.00 0.00 O ATOM 0 H SER A 113 -9.825 0.274 -2.445 1.00 0.00 H new ATOM 0 HA SER A 113 -7.060 1.365 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.399 -0.913 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.362 -0.958 -1.356 1.00 0.00 H new ATOM 0 HG SER A 113 -8.475 -1.212 -3.995 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.294 2.329 -4.401 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.224 2.729 -5.836 1.00 0.00 C ATOM 1655 C LYS A 114 -6.126 3.770 -6.040 1.00 0.00 C ATOM 1656 O LYS A 114 -5.741 4.465 -5.125 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.568 3.323 -6.261 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.907 4.508 -5.354 1.00 0.00 C ATOM 1659 CD LYS A 114 -10.240 5.119 -5.789 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.966 5.684 -4.565 1.00 0.00 C ATOM 1661 NZ LYS A 114 -12.013 6.647 -5.010 1.00 0.00 N ATOM 0 H LYS A 114 -7.034 3.052 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.998 1.850 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.523 3.647 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.350 2.566 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.967 4.180 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.117 5.257 -5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.069 5.909 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.857 4.363 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.420 4.875 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.256 6.182 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.507 7.031 -4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.568 7.424 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.696 6.158 -5.623 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.621 3.879 -7.235 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.541 4.870 -7.503 1.00 0.00 C ATOM 1677 C CYS A 115 -4.956 5.778 -8.663 1.00 0.00 C ATOM 1678 O CYS A 115 -5.704 5.384 -9.536 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.252 4.130 -7.868 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.152 2.582 -6.928 1.00 0.00 S ATOM 0 H CYS A 115 -5.909 3.324 -8.041 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.373 5.476 -6.612 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.232 3.920 -8.937 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.387 4.756 -7.650 1.00 0.00 H new ATOM 1685 N GLN A 116 -4.476 6.991 -8.679 1.00 0.00 N ATOM 1686 CA GLN A 116 -4.842 7.923 -9.783 1.00 0.00 C ATOM 1687 C GLN A 116 -6.366 7.981 -9.916 1.00 0.00 C ATOM 1688 CB GLN A 116 -4.234 7.426 -11.095 1.00 0.00 C ATOM 1689 CG GLN A 116 -4.488 8.456 -12.198 1.00 0.00 C ATOM 1690 CD GLN A 116 -3.495 8.235 -13.341 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -3.878 7.856 -14.429 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -2.225 8.458 -13.139 1.00 0.00 N ATOM 0 H GLN A 116 -3.846 7.377 -7.976 1.00 0.00 H new ATOM 0 HA GLN A 116 -4.458 8.918 -9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -3.163 7.264 -10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -4.672 6.467 -11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -5.510 8.365 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.382 9.465 -11.800 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.902 8.776 -12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -1.555 8.314 -13.895 1.00 0.00 H new TER 1701 GLN A 116