USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 53 MET CE :methyl -171:sc= -0.0949 (180deg=-0.43) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 MET CE :methyl 172:sc= -0.0363 (180deg=-0.0865) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= -2.88! C(o=-2.3!,f=-3.5!) USER MOD Set 3.2: A 69 GLN : amide:sc= 0.534 K(o=-2.3,f=-4) USER MOD Set 4.1: A 59 TYR OH : rot 180:sc= 0.379 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -169:sc= 1.62 (180deg=1.11) USER MOD Set 5.1: A 26 GLN :FLIP amide:sc= -0.0412 F(o=-0.47!,f=0.05) USER MOD Set 5.2: A 48 THR OG1 : rot 180:sc= 0.0912 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.028) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.586 K(o=0.59,f=-0.67) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.33 K(o=0.33,f=-3.4!) USER MOD Single : A 72 HIS : no HD1:sc=-0.00604 K(o=-0.006,f=-2.2!) USER MOD Single : A 76 CYS SG : rot 180:sc=-0.000276 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.429 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= -0.0169 (180deg=-0.0169) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.28) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 16.913 6.045 7.963 1.00 0.00 N ATOM 2 CA GLN A 23 16.592 5.064 9.007 1.00 0.00 C ATOM 3 C GLN A 23 15.216 4.386 8.831 1.00 0.00 C ATOM 4 O GLN A 23 14.645 3.824 9.770 1.00 0.00 O ATOM 5 CB GLN A 23 16.801 5.692 10.399 1.00 0.00 C ATOM 6 CG GLN A 23 15.848 6.864 10.700 1.00 0.00 C ATOM 7 CD GLN A 23 16.061 7.419 12.107 1.00 0.00 C ATOM 8 OE1 GLN A 23 15.331 7.118 13.045 1.00 0.00 O ATOM 9 NE2 GLN A 23 17.069 8.241 12.323 1.00 0.00 N ATOM 0 HA GLN A 23 17.292 4.234 8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.667 4.922 11.159 1.00 0.00 H new ATOM 0 HB3 GLN A 23 17.830 6.043 10.479 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.004 7.657 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.816 6.530 10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.687 8.503 11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.231 8.615 13.258 1.00 0.00 H new ATOM 18 N ILE A 24 14.690 4.451 7.608 1.00 0.00 N ATOM 19 CA ILE A 24 13.360 3.996 7.185 1.00 0.00 C ATOM 20 C ILE A 24 13.396 3.203 5.873 1.00 0.00 C ATOM 21 O ILE A 24 14.382 3.209 5.137 1.00 0.00 O ATOM 22 CB ILE A 24 12.393 5.195 7.064 1.00 0.00 C ATOM 23 CG1 ILE A 24 12.961 6.390 6.251 1.00 0.00 C ATOM 24 CG2 ILE A 24 11.895 5.621 8.451 1.00 0.00 C ATOM 25 CD1 ILE A 24 11.996 7.579 6.104 1.00 0.00 C ATOM 0 H ILE A 24 15.216 4.850 6.831 1.00 0.00 H new ATOM 0 HA ILE A 24 12.997 3.317 7.956 1.00 0.00 H new ATOM 0 HB ILE A 24 11.542 4.849 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.875 6.738 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.237 6.038 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.215 6.467 8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.371 4.789 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.744 5.911 9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.475 8.367 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.090 7.251 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.738 7.962 7.091 1.00 0.00 H new ATOM 37 N ASN A 25 12.277 2.542 5.556 1.00 0.00 N ATOM 38 CA ASN A 25 12.137 1.583 4.452 1.00 0.00 C ATOM 39 C ASN A 25 11.890 2.229 3.072 1.00 0.00 C ATOM 40 O ASN A 25 11.176 1.700 2.221 1.00 0.00 O ATOM 41 CB ASN A 25 11.058 0.556 4.842 1.00 0.00 C ATOM 42 CG ASN A 25 11.245 -0.026 6.238 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.428 0.166 7.127 1.00 0.00 O ATOM 44 ND2 ASN A 25 12.339 -0.706 6.501 1.00 0.00 N ATOM 0 H ASN A 25 11.411 2.664 6.081 1.00 0.00 H new ATOM 0 HA ASN A 25 13.093 1.078 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.079 1.031 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.062 -0.256 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.501 -1.069 7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.026 -0.871 5.765 1.00 0.00 H new ATOM 51 N GLN A 26 12.406 3.438 2.892 1.00 0.00 N ATOM 52 CA GLN A 26 12.152 4.394 1.804 1.00 0.00 C ATOM 53 C GLN A 26 13.480 4.935 1.230 1.00 0.00 C ATOM 54 O GLN A 26 14.565 4.567 1.692 1.00 0.00 O ATOM 55 CB GLN A 26 11.231 5.545 2.282 1.00 0.00 C ATOM 56 CG GLN A 26 10.478 5.423 3.623 1.00 0.00 C ATOM 57 CD GLN A 26 9.191 4.591 3.662 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.104 3.446 3.019 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 8.236 4.938 4.341 1.00 0.00 N flip ATOM 0 H GLN A 26 13.076 3.816 3.562 1.00 0.00 H new ATOM 0 HA GLN A 26 11.633 3.869 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.840 6.448 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.485 5.707 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.168 5.002 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.233 6.430 3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.268 5.819 4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.407 4.346 4.395 1.00 0.00 H new ATOM 68 N VAL A 27 13.393 5.837 0.244 1.00 0.00 N ATOM 69 CA VAL A 27 14.580 6.443 -0.393 1.00 0.00 C ATOM 70 C VAL A 27 15.157 7.547 0.508 1.00 0.00 C ATOM 71 O VAL A 27 14.581 7.848 1.552 1.00 0.00 O ATOM 72 CB VAL A 27 14.277 6.963 -1.826 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.547 5.893 -2.880 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.839 7.444 -2.064 1.00 0.00 C ATOM 0 H VAL A 27 12.506 6.169 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 27 15.335 5.665 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 27 14.946 7.819 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.324 6.292 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.595 5.596 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.915 5.026 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.735 7.785 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.146 6.623 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.613 8.266 -1.385 1.00 0.00 H new ATOM 84 N ARG A 28 16.363 8.043 0.179 1.00 0.00 N ATOM 85 CA ARG A 28 17.132 9.114 0.858 1.00 0.00 C ATOM 86 C ARG A 28 18.250 9.580 -0.109 1.00 0.00 C ATOM 87 O ARG A 28 18.890 8.719 -0.715 1.00 0.00 O ATOM 88 CB ARG A 28 17.728 8.513 2.161 1.00 0.00 C ATOM 89 CG ARG A 28 18.380 9.425 3.218 1.00 0.00 C ATOM 90 CD ARG A 28 19.642 10.199 2.820 1.00 0.00 C ATOM 91 NE ARG A 28 20.388 10.643 4.016 1.00 0.00 N ATOM 92 CZ ARG A 28 21.501 11.357 4.045 1.00 0.00 C ATOM 93 NH1 ARG A 28 22.076 11.807 2.966 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.066 11.640 5.184 1.00 0.00 N ATOM 0 H ARG A 28 16.869 7.681 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 28 16.510 9.971 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.927 7.966 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.477 7.780 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.632 10.149 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.624 8.810 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.281 9.568 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.368 11.064 2.216 1.00 0.00 H new ATOM 0 HE ARG A 28 20.002 10.368 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.668 11.612 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.934 12.354 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.650 11.311 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.924 12.191 5.205 1.00 0.00 H new ATOM 108 N PRO A 29 18.498 10.894 -0.283 1.00 0.00 N ATOM 109 CA PRO A 29 19.376 11.407 -1.344 1.00 0.00 C ATOM 110 C PRO A 29 20.806 11.750 -0.893 1.00 0.00 C ATOM 111 O PRO A 29 21.140 11.730 0.294 1.00 0.00 O ATOM 112 CB PRO A 29 18.658 12.684 -1.801 1.00 0.00 C ATOM 113 CG PRO A 29 18.183 13.254 -0.467 1.00 0.00 C ATOM 114 CD PRO A 29 17.730 11.999 0.280 1.00 0.00 C ATOM 0 HA PRO A 29 19.522 10.649 -2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.327 13.367 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.829 12.470 -2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.982 13.775 0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.369 13.967 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.913 12.095 1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.660 11.835 0.153 1.00 0.00 H new ATOM 122 N LYS A 30 21.617 12.140 -1.882 1.00 0.00 N ATOM 123 CA LYS A 30 22.939 12.784 -1.761 1.00 0.00 C ATOM 124 C LYS A 30 22.742 14.272 -2.100 1.00 0.00 C ATOM 125 O LYS A 30 21.760 14.604 -2.764 1.00 0.00 O ATOM 126 CB LYS A 30 23.921 12.052 -2.699 1.00 0.00 C ATOM 127 CG LYS A 30 25.394 12.434 -2.481 1.00 0.00 C ATOM 128 CD LYS A 30 26.298 11.693 -3.475 1.00 0.00 C ATOM 129 CE LYS A 30 27.769 12.058 -3.233 1.00 0.00 C ATOM 130 NZ LYS A 30 28.677 11.339 -4.169 1.00 0.00 N ATOM 0 H LYS A 30 21.353 12.007 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 30 23.365 12.722 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.810 10.977 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.649 12.267 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.518 13.510 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.691 12.191 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.161 10.617 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.016 11.951 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.901 13.133 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 30 28.040 11.815 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.662 11.611 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.569 10.313 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.435 11.590 -5.149 1.00 0.00 H new ATOM 144 N LEU A 31 23.633 15.180 -1.701 1.00 0.00 N ATOM 145 CA LEU A 31 23.413 16.637 -1.844 1.00 0.00 C ATOM 146 C LEU A 31 23.030 17.115 -3.271 1.00 0.00 C ATOM 147 O LEU A 31 22.090 17.905 -3.374 1.00 0.00 O ATOM 148 CB LEU A 31 24.610 17.426 -1.267 1.00 0.00 C ATOM 149 CG LEU A 31 24.854 17.249 0.247 1.00 0.00 C ATOM 150 CD1 LEU A 31 26.079 18.063 0.664 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.667 17.707 1.100 1.00 0.00 C ATOM 0 H LEU A 31 24.526 14.938 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 31 22.523 16.855 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.512 17.126 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.457 18.486 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 31 25.002 16.183 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.252 17.939 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.952 17.715 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.908 19.117 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.898 17.558 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.474 18.764 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.784 17.125 0.836 1.00 0.00 H new ATOM 163 N PRO A 32 23.620 16.605 -4.378 1.00 0.00 N ATOM 164 CA PRO A 32 23.201 16.972 -5.742 1.00 0.00 C ATOM 165 C PRO A 32 21.797 16.481 -6.124 1.00 0.00 C ATOM 166 O PRO A 32 21.145 17.103 -6.958 1.00 0.00 O ATOM 167 CB PRO A 32 24.268 16.385 -6.676 1.00 0.00 C ATOM 168 CG PRO A 32 25.487 16.212 -5.773 1.00 0.00 C ATOM 169 CD PRO A 32 24.843 15.818 -4.450 1.00 0.00 C ATOM 0 HA PRO A 32 23.126 18.057 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.948 15.434 -7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.480 17.053 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 32 26.164 15.442 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.066 17.131 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.628 14.750 -4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.502 16.035 -3.610 1.00 0.00 H new ATOM 177 N LEU A 33 21.305 15.403 -5.500 1.00 0.00 N ATOM 178 CA LEU A 33 19.945 14.878 -5.703 1.00 0.00 C ATOM 179 C LEU A 33 18.928 15.597 -4.798 1.00 0.00 C ATOM 180 O LEU A 33 17.831 15.934 -5.243 1.00 0.00 O ATOM 181 CB LEU A 33 19.931 13.351 -5.485 1.00 0.00 C ATOM 182 CG LEU A 33 20.482 12.509 -6.656 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.977 12.703 -6.921 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.258 11.026 -6.360 1.00 0.00 C ATOM 0 H LEU A 33 21.848 14.861 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 33 19.643 15.075 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.512 13.123 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.906 13.039 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 33 19.944 12.848 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 33 22.282 12.076 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 33 22.171 13.748 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.543 12.423 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.646 10.428 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.777 10.756 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.191 10.835 -6.244 1.00 0.00 H new ATOM 196 N LEU A 34 19.317 15.936 -3.562 1.00 0.00 N ATOM 197 CA LEU A 34 18.527 16.783 -2.650 1.00 0.00 C ATOM 198 C LEU A 34 18.269 18.170 -3.255 1.00 0.00 C ATOM 199 O LEU A 34 17.189 18.722 -3.061 1.00 0.00 O ATOM 200 CB LEU A 34 19.259 16.837 -1.291 1.00 0.00 C ATOM 201 CG LEU A 34 18.602 17.666 -0.156 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.968 17.060 1.200 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.121 19.105 -0.152 1.00 0.00 C ATOM 0 H LEU A 34 20.201 15.627 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 34 17.537 16.355 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.381 15.814 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.259 17.235 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 34 17.525 17.655 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.506 17.644 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.609 16.032 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.051 17.072 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.643 19.662 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.200 19.102 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.890 19.578 -1.107 1.00 0.00 H new ATOM 215 N LYS A 35 19.204 18.684 -4.065 1.00 0.00 N ATOM 216 CA LYS A 35 19.095 19.958 -4.805 1.00 0.00 C ATOM 217 C LYS A 35 17.860 20.007 -5.717 1.00 0.00 C ATOM 218 O LYS A 35 17.172 21.022 -5.804 1.00 0.00 O ATOM 219 CB LYS A 35 20.384 20.127 -5.640 1.00 0.00 C ATOM 220 CG LYS A 35 20.881 21.572 -5.768 1.00 0.00 C ATOM 221 CD LYS A 35 21.425 22.114 -4.435 1.00 0.00 C ATOM 222 CE LYS A 35 22.323 23.327 -4.705 1.00 0.00 C ATOM 223 NZ LYS A 35 22.833 23.933 -3.445 1.00 0.00 N ATOM 0 H LYS A 35 20.092 18.210 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 35 18.978 20.772 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.173 19.524 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.208 19.728 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.663 21.621 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.065 22.207 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.600 22.397 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.989 21.338 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.164 23.024 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.763 24.075 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.436 24.750 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.031 24.246 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.389 23.228 -2.921 1.00 0.00 H new ATOM 237 N ILE A 36 17.556 18.873 -6.349 1.00 0.00 N ATOM 238 CA ILE A 36 16.468 18.686 -7.324 1.00 0.00 C ATOM 239 C ILE A 36 15.119 18.741 -6.603 1.00 0.00 C ATOM 240 O ILE A 36 14.223 19.481 -6.998 1.00 0.00 O ATOM 241 CB ILE A 36 16.664 17.348 -8.084 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.097 17.269 -8.656 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.630 17.172 -9.211 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.461 15.928 -9.290 1.00 0.00 C ATOM 0 H ILE A 36 18.084 18.015 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 36 16.487 19.488 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 36 16.513 16.537 -7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.218 18.053 -9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.805 17.480 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.802 16.223 -9.718 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.626 17.180 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.729 17.988 -9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.484 15.968 -9.663 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.377 15.138 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.781 15.720 -10.116 1.00 0.00 H new ATOM 256 N LEU A 37 14.998 18.029 -5.482 1.00 0.00 N ATOM 257 CA LEU A 37 13.798 18.068 -4.646 1.00 0.00 C ATOM 258 C LEU A 37 13.650 19.420 -3.905 1.00 0.00 C ATOM 259 O LEU A 37 12.534 19.914 -3.756 1.00 0.00 O ATOM 260 CB LEU A 37 13.796 16.810 -3.748 1.00 0.00 C ATOM 261 CG LEU A 37 13.116 15.555 -4.340 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.607 15.726 -4.459 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.645 15.098 -5.696 1.00 0.00 C ATOM 0 H LEU A 37 15.728 17.410 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 37 12.895 18.028 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.829 16.559 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.300 17.059 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 37 13.369 14.780 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.170 14.820 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.183 15.909 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.387 16.571 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.100 14.211 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.508 15.895 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.706 14.861 -5.612 1.00 0.00 H new ATOM 275 N HIS A 38 14.747 20.098 -3.542 1.00 0.00 N ATOM 276 CA HIS A 38 14.731 21.479 -3.019 1.00 0.00 C ATOM 277 C HIS A 38 14.253 22.506 -4.054 1.00 0.00 C ATOM 278 O HIS A 38 13.522 23.427 -3.686 1.00 0.00 O ATOM 279 CB HIS A 38 16.120 21.870 -2.481 1.00 0.00 C ATOM 280 CG HIS A 38 16.329 21.614 -1.006 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.172 22.369 -0.184 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.685 20.684 -0.240 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.016 21.880 1.057 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.131 20.868 1.054 1.00 0.00 N ATOM 0 H HIS A 38 15.685 19.701 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 38 14.009 21.493 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.877 21.321 -3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.284 22.930 -2.677 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.969 19.950 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.529 22.248 1.933 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.839 20.328 1.869 1.00 0.00 H new ATOM 292 N ALA A 39 14.565 22.327 -5.344 1.00 0.00 N ATOM 293 CA ALA A 39 13.994 23.155 -6.416 1.00 0.00 C ATOM 294 C ALA A 39 12.453 23.040 -6.511 1.00 0.00 C ATOM 295 O ALA A 39 11.792 23.955 -7.007 1.00 0.00 O ATOM 296 CB ALA A 39 14.653 22.787 -7.750 1.00 0.00 C ATOM 0 H ALA A 39 15.214 21.612 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 39 14.204 24.197 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.230 23.400 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.727 22.964 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.471 21.735 -7.968 1.00 0.00 H new ATOM 302 N ALA A 40 11.883 21.945 -5.989 1.00 0.00 N ATOM 303 CA ALA A 40 10.446 21.712 -5.839 1.00 0.00 C ATOM 304 C ALA A 40 9.916 21.947 -4.405 1.00 0.00 C ATOM 305 O ALA A 40 8.827 21.479 -4.068 1.00 0.00 O ATOM 306 CB ALA A 40 10.141 20.307 -6.359 1.00 0.00 C ATOM 0 H ALA A 40 12.440 21.163 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 40 9.909 22.454 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.074 20.106 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.427 20.238 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.704 19.575 -5.780 1.00 0.00 H new ATOM 312 N GLY A 41 10.672 22.642 -3.545 1.00 0.00 N ATOM 313 CA GLY A 41 10.253 23.020 -2.187 1.00 0.00 C ATOM 314 C GLY A 41 10.160 21.865 -1.176 1.00 0.00 C ATOM 315 O GLY A 41 9.528 22.024 -0.128 1.00 0.00 O ATOM 0 H GLY A 41 11.611 22.964 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.954 23.760 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.279 23.505 -2.248 1.00 0.00 H new ATOM 319 N ALA A 42 10.750 20.704 -1.481 1.00 0.00 N ATOM 320 CA ALA A 42 10.722 19.508 -0.645 1.00 0.00 C ATOM 321 C ALA A 42 11.825 19.526 0.446 1.00 0.00 C ATOM 322 O ALA A 42 12.453 20.555 0.708 1.00 0.00 O ATOM 323 CB ALA A 42 10.914 18.317 -1.586 1.00 0.00 C ATOM 0 H ALA A 42 11.276 20.571 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 42 9.775 19.450 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.901 17.392 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.108 18.299 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.870 18.410 -2.101 1.00 0.00 H new ATOM 329 N GLN A 43 12.121 18.356 1.030 1.00 0.00 N ATOM 330 CA GLN A 43 13.245 18.115 1.957 1.00 0.00 C ATOM 331 C GLN A 43 14.006 16.831 1.582 1.00 0.00 C ATOM 332 O GLN A 43 13.962 15.817 2.281 1.00 0.00 O ATOM 333 CB GLN A 43 12.732 18.090 3.412 1.00 0.00 C ATOM 334 CG GLN A 43 12.088 19.409 3.871 1.00 0.00 C ATOM 335 CD GLN A 43 11.653 19.342 5.334 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.279 19.900 6.227 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.573 18.651 5.643 1.00 0.00 N ATOM 0 H GLN A 43 11.565 17.517 0.866 1.00 0.00 H new ATOM 0 HA GLN A 43 13.959 18.934 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.003 17.286 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.564 17.853 4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.797 20.226 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.225 19.631 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.041 18.181 4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.269 18.587 6.615 1.00 0.00 H new ATOM 346 N GLY A 44 14.698 16.872 0.439 1.00 0.00 N ATOM 347 CA GLY A 44 15.410 15.722 -0.114 1.00 0.00 C ATOM 348 C GLY A 44 14.464 14.655 -0.664 1.00 0.00 C ATOM 349 O GLY A 44 13.431 14.981 -1.224 1.00 0.00 O ATOM 0 H GLY A 44 14.779 17.714 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.074 16.059 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.038 15.281 0.660 1.00 0.00 H new ATOM 353 N GLU A 45 14.834 13.385 -0.509 1.00 0.00 N ATOM 354 CA GLU A 45 14.066 12.191 -0.910 1.00 0.00 C ATOM 355 C GLU A 45 13.849 11.221 0.257 1.00 0.00 C ATOM 356 O GLU A 45 13.552 10.056 0.030 1.00 0.00 O ATOM 357 CB GLU A 45 14.717 11.483 -2.119 1.00 0.00 C ATOM 358 CG GLU A 45 14.691 12.305 -3.406 1.00 0.00 C ATOM 359 CD GLU A 45 15.272 11.480 -4.571 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.514 11.462 -4.741 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.487 10.833 -5.306 1.00 0.00 O ATOM 0 H GLU A 45 15.725 13.140 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 45 13.080 12.538 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.752 11.244 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.204 10.537 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.668 12.604 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.268 13.220 -3.274 1.00 0.00 H new ATOM 368 N MET A 46 14.043 11.663 1.506 1.00 0.00 N ATOM 369 CA MET A 46 14.048 10.805 2.703 1.00 0.00 C ATOM 370 C MET A 46 12.632 10.442 3.188 1.00 0.00 C ATOM 371 O MET A 46 12.211 10.778 4.297 1.00 0.00 O ATOM 372 CB MET A 46 15.003 11.388 3.741 1.00 0.00 C ATOM 373 CG MET A 46 15.225 10.468 4.953 1.00 0.00 C ATOM 374 SD MET A 46 16.499 11.043 6.108 1.00 0.00 S ATOM 375 CE MET A 46 16.442 9.680 7.304 1.00 0.00 C ATOM 0 H MET A 46 14.204 12.647 1.720 1.00 0.00 H new ATOM 0 HA MET A 46 14.449 9.822 2.457 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.964 11.590 3.267 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.611 12.344 4.087 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.283 10.364 5.492 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.498 9.475 4.595 1.00 0.00 H new ATOM 0 HE1 MET A 46 17.167 9.862 8.097 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.442 9.615 7.734 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.682 8.744 6.800 1.00 0.00 H new ATOM 385 N PHE A 47 11.875 9.812 2.288 1.00 0.00 N ATOM 386 CA PHE A 47 10.440 9.505 2.416 1.00 0.00 C ATOM 387 C PHE A 47 9.912 8.563 1.309 1.00 0.00 C ATOM 388 O PHE A 47 10.640 8.165 0.400 1.00 0.00 O ATOM 389 CB PHE A 47 9.649 10.824 2.487 1.00 0.00 C ATOM 390 CG PHE A 47 10.100 11.913 1.533 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.981 11.714 0.148 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.648 13.115 2.022 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.334 12.740 -0.738 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.034 14.128 1.129 1.00 0.00 C ATOM 395 CZ PHE A 47 10.844 13.950 -0.249 1.00 0.00 C ATOM 0 H PHE A 47 12.261 9.483 1.403 1.00 0.00 H new ATOM 0 HA PHE A 47 10.294 8.947 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.599 10.607 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.711 11.209 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.618 10.771 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.772 13.258 3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.213 12.598 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.475 15.040 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.091 14.747 -0.935 1.00 0.00 H new ATOM 405 N THR A 48 8.642 8.158 1.417 1.00 0.00 N ATOM 406 CA THR A 48 7.950 7.148 0.586 1.00 0.00 C ATOM 407 C THR A 48 7.746 7.567 -0.883 1.00 0.00 C ATOM 408 O THR A 48 7.795 8.748 -1.236 1.00 0.00 O ATOM 409 CB THR A 48 6.569 6.793 1.216 1.00 0.00 C ATOM 410 OG1 THR A 48 6.503 7.186 2.574 1.00 0.00 O ATOM 411 CG2 THR A 48 6.273 5.291 1.175 1.00 0.00 C ATOM 0 H THR A 48 8.025 8.547 2.130 1.00 0.00 H new ATOM 0 HA THR A 48 8.608 6.279 0.571 1.00 0.00 H new ATOM 0 HB THR A 48 5.836 7.332 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.625 6.951 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.300 5.100 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.266 4.950 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.042 4.753 1.730 1.00 0.00 H new ATOM 419 N VAL A 49 7.410 6.585 -1.736 1.00 0.00 N ATOM 420 CA VAL A 49 7.063 6.748 -3.170 1.00 0.00 C ATOM 421 C VAL A 49 6.047 7.873 -3.400 1.00 0.00 C ATOM 422 O VAL A 49 6.228 8.726 -4.268 1.00 0.00 O ATOM 423 CB VAL A 49 6.479 5.426 -3.732 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.077 5.530 -5.208 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.466 4.262 -3.585 1.00 0.00 C ATOM 0 H VAL A 49 7.369 5.610 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 49 7.985 7.010 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 49 5.585 5.236 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.675 4.574 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.318 6.304 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.951 5.787 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.020 3.354 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.382 4.491 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.698 4.113 -2.531 1.00 0.00 H new ATOM 435 N LYS A 50 4.997 7.911 -2.572 1.00 0.00 N ATOM 436 CA LYS A 50 3.915 8.900 -2.688 1.00 0.00 C ATOM 437 C LYS A 50 4.380 10.327 -2.402 1.00 0.00 C ATOM 438 O LYS A 50 3.870 11.270 -3.001 1.00 0.00 O ATOM 439 CB LYS A 50 2.766 8.525 -1.738 1.00 0.00 C ATOM 440 CG LYS A 50 2.115 7.167 -2.062 1.00 0.00 C ATOM 441 CD LYS A 50 1.159 6.703 -0.952 1.00 0.00 C ATOM 442 CE LYS A 50 1.913 6.281 0.324 1.00 0.00 C ATOM 443 NZ LYS A 50 0.970 5.834 1.388 1.00 0.00 N ATOM 0 H LYS A 50 4.872 7.256 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 50 3.572 8.880 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.144 8.503 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.003 9.303 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.568 7.243 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.893 6.418 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.464 7.508 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.563 5.865 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.608 5.475 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.508 7.117 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.507 5.556 2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.324 6.612 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.420 5.021 1.045 1.00 0.00 H new ATOM 457 N GLU A 51 5.380 10.476 -1.537 1.00 0.00 N ATOM 458 CA GLU A 51 5.977 11.770 -1.219 1.00 0.00 C ATOM 459 C GLU A 51 6.948 12.204 -2.325 1.00 0.00 C ATOM 460 O GLU A 51 6.790 13.311 -2.835 1.00 0.00 O ATOM 461 CB GLU A 51 6.630 11.723 0.174 1.00 0.00 C ATOM 462 CG GLU A 51 5.646 11.436 1.318 1.00 0.00 C ATOM 463 CD GLU A 51 4.546 12.510 1.433 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.796 13.580 2.038 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.414 12.283 0.939 1.00 0.00 O ATOM 0 H GLU A 51 5.802 9.696 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 51 5.198 12.532 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.405 10.956 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.124 12.676 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.183 10.462 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.194 11.379 2.259 1.00 0.00 H new ATOM 472 N VAL A 52 7.866 11.341 -2.803 1.00 0.00 N ATOM 473 CA VAL A 52 8.739 11.721 -3.949 1.00 0.00 C ATOM 474 C VAL A 52 7.943 12.137 -5.182 1.00 0.00 C ATOM 475 O VAL A 52 8.228 13.168 -5.786 1.00 0.00 O ATOM 476 CB VAL A 52 9.746 10.640 -4.367 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.846 10.423 -3.327 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.199 9.254 -4.675 1.00 0.00 C ATOM 0 H VAL A 52 8.026 10.404 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 52 9.299 12.572 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 52 10.113 11.073 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.529 9.648 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.396 11.352 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.398 10.114 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.019 8.593 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.698 8.856 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.487 9.318 -5.498 1.00 0.00 H new ATOM 488 N MET A 53 6.923 11.362 -5.540 1.00 0.00 N ATOM 489 CA MET A 53 6.118 11.629 -6.740 1.00 0.00 C ATOM 490 C MET A 53 5.220 12.875 -6.601 1.00 0.00 C ATOM 491 O MET A 53 4.963 13.551 -7.595 1.00 0.00 O ATOM 492 CB MET A 53 5.355 10.370 -7.174 1.00 0.00 C ATOM 493 CG MET A 53 4.079 10.111 -6.369 1.00 0.00 C ATOM 494 SD MET A 53 3.261 8.535 -6.734 1.00 0.00 S ATOM 495 CE MET A 53 2.841 8.792 -8.480 1.00 0.00 C ATOM 0 H MET A 53 6.629 10.538 -5.016 1.00 0.00 H new ATOM 0 HA MET A 53 6.806 11.880 -7.547 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.096 10.460 -8.229 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.014 9.507 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.323 10.141 -5.307 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.376 10.922 -6.557 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.192 7.985 -8.821 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.325 9.745 -8.594 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.753 8.800 -9.076 1.00 0.00 H new ATOM 505 N HIS A 54 4.807 13.228 -5.376 1.00 0.00 N ATOM 506 CA HIS A 54 4.129 14.492 -5.051 1.00 0.00 C ATOM 507 C HIS A 54 5.032 15.695 -5.382 1.00 0.00 C ATOM 508 O HIS A 54 4.702 16.504 -6.255 1.00 0.00 O ATOM 509 CB HIS A 54 3.700 14.460 -3.569 1.00 0.00 C ATOM 510 CG HIS A 54 3.631 15.813 -2.910 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.874 16.900 -3.354 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.437 16.218 -1.885 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.252 17.937 -2.587 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.175 17.553 -1.688 1.00 0.00 N ATOM 0 H HIS A 54 4.938 12.627 -4.562 1.00 0.00 H new ATOM 0 HA HIS A 54 3.233 14.607 -5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.722 13.984 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.400 13.835 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.141 15.610 -1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.867 18.942 -2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.606 18.149 -0.982 1.00 0.00 H new ATOM 522 N TYR A 55 6.212 15.766 -4.756 1.00 0.00 N ATOM 523 CA TYR A 55 7.236 16.767 -5.047 1.00 0.00 C ATOM 524 C TYR A 55 7.667 16.795 -6.527 1.00 0.00 C ATOM 525 O TYR A 55 7.863 17.879 -7.073 1.00 0.00 O ATOM 526 CB TYR A 55 8.443 16.531 -4.138 1.00 0.00 C ATOM 527 CG TYR A 55 8.160 16.624 -2.649 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.695 17.828 -2.091 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.399 15.521 -1.811 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.441 17.929 -0.710 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.123 15.605 -0.431 1.00 0.00 C ATOM 532 CZ TYR A 55 7.648 16.812 0.125 1.00 0.00 C ATOM 533 OH TYR A 55 7.405 16.917 1.462 1.00 0.00 O ATOM 0 H TYR A 55 6.484 15.115 -4.019 1.00 0.00 H new ATOM 0 HA TYR A 55 6.798 17.745 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.852 15.544 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.215 17.257 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.531 18.684 -2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.795 14.606 -2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.088 18.860 -0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.275 14.744 0.202 1.00 0.00 H new ATOM 0 HH TYR A 55 7.595 16.060 1.897 1.00 0.00 H new ATOM 543 N LEU A 56 7.760 15.650 -7.216 1.00 0.00 N ATOM 544 CA LEU A 56 8.064 15.612 -8.656 1.00 0.00 C ATOM 545 C LEU A 56 6.928 16.180 -9.526 1.00 0.00 C ATOM 546 O LEU A 56 7.217 16.892 -10.484 1.00 0.00 O ATOM 547 CB LEU A 56 8.478 14.191 -9.094 1.00 0.00 C ATOM 548 CG LEU A 56 10.003 14.008 -9.216 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.761 14.236 -7.907 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.322 12.592 -9.697 1.00 0.00 C ATOM 0 H LEU A 56 7.628 14.730 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 56 8.915 16.274 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.089 13.470 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.014 13.965 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 56 10.331 14.764 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.828 14.089 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.585 15.253 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.411 13.528 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.402 12.471 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.930 11.868 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.862 12.426 -10.671 1.00 0.00 H new ATOM 562 N GLY A 57 5.654 15.966 -9.181 1.00 0.00 N ATOM 563 CA GLY A 57 4.525 16.609 -9.870 1.00 0.00 C ATOM 564 C GLY A 57 4.623 18.142 -9.842 1.00 0.00 C ATOM 565 O GLY A 57 4.565 18.801 -10.887 1.00 0.00 O ATOM 0 H GLY A 57 5.375 15.346 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.492 16.268 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.591 16.298 -9.401 1.00 0.00 H new ATOM 569 N GLN A 58 4.902 18.719 -8.666 1.00 0.00 N ATOM 570 CA GLN A 58 5.135 20.164 -8.541 1.00 0.00 C ATOM 571 C GLN A 58 6.472 20.617 -9.162 1.00 0.00 C ATOM 572 O GLN A 58 6.508 21.707 -9.727 1.00 0.00 O ATOM 573 CB GLN A 58 4.841 20.682 -7.120 1.00 0.00 C ATOM 574 CG GLN A 58 5.780 20.178 -6.016 1.00 0.00 C ATOM 575 CD GLN A 58 5.301 20.512 -4.597 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.122 20.694 -4.318 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.189 20.575 -3.626 1.00 0.00 N ATOM 0 H GLN A 58 4.972 18.207 -7.787 1.00 0.00 H new ATOM 0 HA GLN A 58 4.395 20.670 -9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.881 21.771 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.820 20.405 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.887 19.097 -6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.769 20.611 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.178 20.428 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.888 20.771 -2.671 1.00 0.00 H new ATOM 586 N TYR A 59 7.537 19.796 -9.166 1.00 0.00 N ATOM 587 CA TYR A 59 8.764 20.079 -9.940 1.00 0.00 C ATOM 588 C TYR A 59 8.421 20.314 -11.416 1.00 0.00 C ATOM 589 O TYR A 59 8.750 21.360 -11.969 1.00 0.00 O ATOM 590 CB TYR A 59 9.790 18.928 -9.835 1.00 0.00 C ATOM 591 CG TYR A 59 11.153 19.221 -10.452 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.332 19.192 -11.853 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.262 19.482 -9.625 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.603 19.420 -12.418 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.530 19.719 -10.186 1.00 0.00 C ATOM 596 CZ TYR A 59 13.708 19.675 -11.581 1.00 0.00 C ATOM 597 OH TYR A 59 14.941 19.881 -12.122 1.00 0.00 O ATOM 0 H TYR A 59 7.574 18.924 -8.638 1.00 0.00 H new ATOM 0 HA TYR A 59 9.211 20.977 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.930 18.681 -8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.372 18.044 -10.317 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.488 18.993 -12.497 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.138 19.500 -8.552 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.730 19.399 -13.490 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.370 19.936 -9.543 1.00 0.00 H new ATOM 0 HH TYR A 59 15.590 20.044 -11.406 1.00 0.00 H new ATOM 607 N ILE A 60 7.710 19.366 -12.040 1.00 0.00 N ATOM 608 CA ILE A 60 7.301 19.424 -13.452 1.00 0.00 C ATOM 609 C ILE A 60 6.420 20.651 -13.702 1.00 0.00 C ATOM 610 O ILE A 60 6.627 21.363 -14.682 1.00 0.00 O ATOM 611 CB ILE A 60 6.555 18.128 -13.842 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.446 16.873 -13.698 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.020 18.207 -15.284 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.595 15.615 -13.478 1.00 0.00 C ATOM 0 H ILE A 60 7.396 18.518 -11.568 1.00 0.00 H new ATOM 0 HA ILE A 60 8.192 19.512 -14.074 1.00 0.00 H new ATOM 0 HB ILE A 60 5.719 18.036 -13.148 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.056 16.751 -14.593 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.131 17.004 -12.860 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.500 17.281 -15.530 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.329 19.045 -15.370 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.852 18.350 -15.973 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.247 14.747 -13.380 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.004 15.730 -12.569 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.928 15.474 -14.329 1.00 0.00 H new ATOM 626 N MET A 61 5.471 20.942 -12.807 1.00 0.00 N ATOM 627 CA MET A 61 4.582 22.100 -12.957 1.00 0.00 C ATOM 628 C MET A 61 5.301 23.457 -12.784 1.00 0.00 C ATOM 629 O MET A 61 4.939 24.422 -13.457 1.00 0.00 O ATOM 630 CB MET A 61 3.382 21.921 -12.020 1.00 0.00 C ATOM 631 CG MET A 61 2.331 23.018 -12.237 1.00 0.00 C ATOM 632 SD MET A 61 0.663 22.603 -11.663 1.00 0.00 S ATOM 633 CE MET A 61 0.096 21.602 -13.069 1.00 0.00 C ATOM 0 H MET A 61 5.298 20.389 -11.967 1.00 0.00 H new ATOM 0 HA MET A 61 4.223 22.135 -13.986 1.00 0.00 H new ATOM 0 HB2 MET A 61 2.930 20.944 -12.189 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.721 21.941 -10.984 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.661 23.922 -11.726 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.286 23.252 -13.301 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.922 21.259 -12.885 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.117 22.205 -13.977 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.752 20.740 -13.190 1.00 0.00 H new ATOM 643 N VAL A 62 6.360 23.533 -11.966 1.00 0.00 N ATOM 644 CA VAL A 62 7.232 24.723 -11.845 1.00 0.00 C ATOM 645 C VAL A 62 8.135 24.877 -13.074 1.00 0.00 C ATOM 646 O VAL A 62 8.140 25.939 -13.704 1.00 0.00 O ATOM 647 CB VAL A 62 8.040 24.684 -10.536 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.157 25.735 -10.463 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.120 24.918 -9.331 1.00 0.00 C ATOM 0 H VAL A 62 6.644 22.763 -11.360 1.00 0.00 H new ATOM 0 HA VAL A 62 6.595 25.607 -11.805 1.00 0.00 H new ATOM 0 HB VAL A 62 8.496 23.694 -10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.681 25.644 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.860 25.576 -11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.724 26.732 -10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.707 24.887 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.641 25.893 -9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.357 24.140 -9.299 1.00 0.00 H new ATOM 659 N LYS A 63 8.847 23.807 -13.466 1.00 0.00 N ATOM 660 CA LYS A 63 9.701 23.780 -14.675 1.00 0.00 C ATOM 661 C LYS A 63 8.902 23.877 -15.984 1.00 0.00 C ATOM 662 O LYS A 63 9.485 24.200 -17.017 1.00 0.00 O ATOM 663 CB LYS A 63 10.592 22.512 -14.674 1.00 0.00 C ATOM 664 CG LYS A 63 12.090 22.812 -14.514 1.00 0.00 C ATOM 665 CD LYS A 63 12.460 23.298 -13.103 1.00 0.00 C ATOM 666 CE LYS A 63 13.927 23.751 -13.013 1.00 0.00 C ATOM 667 NZ LYS A 63 14.898 22.637 -13.197 1.00 0.00 N ATOM 0 H LYS A 63 8.849 22.927 -12.951 1.00 0.00 H new ATOM 0 HA LYS A 63 10.331 24.669 -14.633 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.273 21.855 -13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.437 21.968 -15.606 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.661 21.912 -14.743 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.383 23.569 -15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.808 24.125 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.284 22.496 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.112 24.514 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.098 24.216 -12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.852 22.963 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.631 21.839 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.890 22.330 -14.191 1.00 0.00 H new ATOM 681 N GLN A 64 7.584 23.645 -15.927 1.00 0.00 N ATOM 682 CA GLN A 64 6.591 23.765 -17.009 1.00 0.00 C ATOM 683 C GLN A 64 7.063 23.168 -18.347 1.00 0.00 C ATOM 684 O GLN A 64 6.912 23.754 -19.421 1.00 0.00 O ATOM 685 CB GLN A 64 5.984 25.180 -17.048 1.00 0.00 C ATOM 686 CG GLN A 64 6.968 26.326 -17.338 1.00 0.00 C ATOM 687 CD GLN A 64 6.412 27.670 -16.877 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.822 28.433 -17.634 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.573 28.009 -15.611 1.00 0.00 N ATOM 0 H GLN A 64 7.147 23.345 -15.055 1.00 0.00 H new ATOM 0 HA GLN A 64 5.746 23.117 -16.778 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.202 25.198 -17.807 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.503 25.374 -16.090 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.915 26.130 -16.834 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.178 26.365 -18.407 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.062 27.381 -14.973 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.208 28.899 -15.271 1.00 0.00 H new ATOM 698 N LEU A 65 7.663 21.975 -18.245 1.00 0.00 N ATOM 699 CA LEU A 65 8.393 21.284 -19.317 1.00 0.00 C ATOM 700 C LEU A 65 7.546 20.185 -20.011 1.00 0.00 C ATOM 701 O LEU A 65 8.062 19.295 -20.687 1.00 0.00 O ATOM 702 CB LEU A 65 9.732 20.778 -18.727 1.00 0.00 C ATOM 703 CG LEU A 65 11.015 21.071 -19.536 1.00 0.00 C ATOM 704 CD1 LEU A 65 10.951 20.672 -21.010 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.379 22.556 -19.472 1.00 0.00 C ATOM 0 H LEU A 65 7.653 21.442 -17.376 1.00 0.00 H new ATOM 0 HA LEU A 65 8.611 21.977 -20.130 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.851 21.215 -17.735 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.656 19.699 -18.593 1.00 0.00 H new ATOM 0 HG LEU A 65 11.773 20.450 -19.059 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.896 20.916 -21.494 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.769 19.600 -21.089 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.142 21.215 -21.499 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.286 22.734 -20.050 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.563 23.149 -19.886 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.548 22.845 -18.435 1.00 0.00 H new ATOM 717 N TYR A 66 6.228 20.224 -19.819 1.00 0.00 N ATOM 718 CA TYR A 66 5.246 19.376 -20.500 1.00 0.00 C ATOM 719 C TYR A 66 4.881 19.912 -21.897 1.00 0.00 C ATOM 720 O TYR A 66 5.175 21.064 -22.234 1.00 0.00 O ATOM 721 CB TYR A 66 4.016 19.220 -19.594 1.00 0.00 C ATOM 722 CG TYR A 66 3.479 20.532 -19.053 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.762 21.401 -19.894 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.753 20.907 -17.725 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.310 22.644 -19.414 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.280 22.139 -17.228 1.00 0.00 C ATOM 727 CZ TYR A 66 2.559 23.013 -18.074 1.00 0.00 C ATOM 728 OH TYR A 66 2.107 24.213 -17.613 1.00 0.00 O ATOM 0 H TYR A 66 5.797 20.872 -19.160 1.00 0.00 H new ATOM 0 HA TYR A 66 5.684 18.393 -20.676 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.226 18.719 -20.154 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.274 18.572 -18.757 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.557 21.113 -20.914 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.326 20.251 -17.086 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.774 23.314 -20.069 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.468 22.415 -16.201 1.00 0.00 H new ATOM 0 HH TYR A 66 2.358 24.317 -16.672 1.00 0.00 H new ATOM 738 N ASP A 67 4.233 19.087 -22.724 1.00 0.00 N ATOM 739 CA ASP A 67 3.802 19.503 -24.064 1.00 0.00 C ATOM 740 C ASP A 67 2.604 20.475 -24.037 1.00 0.00 C ATOM 741 O ASP A 67 1.726 20.411 -23.175 1.00 0.00 O ATOM 742 CB ASP A 67 3.514 18.292 -24.954 1.00 0.00 C ATOM 743 CG ASP A 67 3.388 18.735 -26.415 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.429 18.960 -27.078 1.00 0.00 O ATOM 745 OD2 ASP A 67 2.240 18.946 -26.862 1.00 0.00 O ATOM 0 H ASP A 67 3.994 18.124 -22.489 1.00 0.00 H new ATOM 0 HA ASP A 67 4.636 20.056 -24.497 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.315 17.559 -24.855 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.594 17.804 -24.632 1.00 0.00 H new ATOM 750 N GLN A 68 2.563 21.376 -25.018 1.00 0.00 N ATOM 751 CA GLN A 68 1.572 22.448 -25.161 1.00 0.00 C ATOM 752 C GLN A 68 0.181 21.887 -25.523 1.00 0.00 C ATOM 753 O GLN A 68 -0.841 22.389 -25.047 1.00 0.00 O ATOM 754 CB GLN A 68 1.988 23.463 -26.258 1.00 0.00 C ATOM 755 CG GLN A 68 3.477 23.816 -26.465 1.00 0.00 C ATOM 756 CD GLN A 68 4.373 22.629 -26.838 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.432 22.416 -26.265 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.947 21.735 -27.707 1.00 0.00 N ATOM 0 H GLN A 68 3.251 21.381 -25.771 1.00 0.00 H new ATOM 0 HA GLN A 68 1.524 22.951 -24.195 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.610 23.085 -27.208 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.460 24.395 -26.053 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.552 24.570 -27.249 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.859 24.268 -25.550 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.067 21.883 -28.202 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.497 20.895 -27.885 1.00 0.00 H new ATOM 767 N GLN A 69 0.150 20.847 -26.366 1.00 0.00 N ATOM 768 CA GLN A 69 -1.057 20.161 -26.833 1.00 0.00 C ATOM 769 C GLN A 69 -1.438 18.972 -25.937 1.00 0.00 C ATOM 770 O GLN A 69 -2.604 18.571 -25.920 1.00 0.00 O ATOM 771 CB GLN A 69 -0.891 19.736 -28.306 1.00 0.00 C ATOM 772 CG GLN A 69 -0.952 20.906 -29.311 1.00 0.00 C ATOM 773 CD GLN A 69 0.289 21.804 -29.379 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.420 21.418 -29.111 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.135 23.055 -29.764 1.00 0.00 N ATOM 0 H GLN A 69 1.002 20.445 -26.756 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.886 20.866 -26.768 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.064 19.223 -28.419 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.671 19.016 -28.555 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.133 20.496 -30.304 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.812 21.528 -29.062 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.794 23.407 -29.994 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.945 23.671 -29.832 1.00 0.00 H new ATOM 784 N GLU A 70 -0.493 18.431 -25.160 1.00 0.00 N ATOM 785 CA GLU A 70 -0.757 17.361 -24.189 1.00 0.00 C ATOM 786 C GLU A 70 0.079 17.516 -22.911 1.00 0.00 C ATOM 787 O GLU A 70 1.173 16.970 -22.769 1.00 0.00 O ATOM 788 CB GLU A 70 -0.626 15.958 -24.819 1.00 0.00 C ATOM 789 CG GLU A 70 0.402 15.832 -25.956 1.00 0.00 C ATOM 790 CD GLU A 70 0.419 14.407 -26.544 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.570 14.005 -27.208 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.433 13.683 -26.386 1.00 0.00 O ATOM 0 H GLU A 70 0.483 18.725 -25.187 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.799 17.463 -23.884 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.361 15.250 -24.034 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.602 15.659 -25.201 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.166 16.549 -26.743 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.394 16.084 -25.581 1.00 0.00 H new ATOM 799 N GLN A 71 -0.504 18.203 -21.924 1.00 0.00 N ATOM 800 CA GLN A 71 0.039 18.375 -20.571 1.00 0.00 C ATOM 801 C GLN A 71 0.307 17.031 -19.859 1.00 0.00 C ATOM 802 O GLN A 71 1.090 16.978 -18.908 1.00 0.00 O ATOM 803 CB GLN A 71 -0.950 19.212 -19.736 1.00 0.00 C ATOM 804 CG GLN A 71 -1.005 20.708 -20.111 1.00 0.00 C ATOM 805 CD GLN A 71 -1.576 21.032 -21.497 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.394 20.315 -22.064 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.173 22.131 -22.099 1.00 0.00 N ATOM 0 H GLN A 71 -1.401 18.673 -22.049 1.00 0.00 H new ATOM 0 HA GLN A 71 0.998 18.884 -20.664 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.948 18.787 -19.846 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.680 19.125 -18.683 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.603 21.228 -19.363 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.005 21.115 -20.051 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.493 22.741 -21.645 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.540 22.372 -23.019 1.00 0.00 H new ATOM 816 N HIS A 72 -0.310 15.939 -20.337 1.00 0.00 N ATOM 817 CA HIS A 72 -0.079 14.578 -19.848 1.00 0.00 C ATOM 818 C HIS A 72 1.345 14.059 -20.153 1.00 0.00 C ATOM 819 O HIS A 72 1.840 13.179 -19.442 1.00 0.00 O ATOM 820 CB HIS A 72 -1.183 13.639 -20.392 1.00 0.00 C ATOM 821 CG HIS A 72 -0.705 12.618 -21.400 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.331 12.897 -22.715 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.452 11.302 -21.141 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.150 11.748 -23.216 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.077 10.769 -22.297 1.00 0.00 N ATOM 0 H HIS A 72 -0.997 15.983 -21.090 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.141 14.594 -18.760 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.640 13.114 -19.553 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.963 14.246 -20.852 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.631 10.780 -20.212 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.540 11.627 -24.216 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.364 9.799 -22.432 1.00 0.00 H new ATOM 833 N MET A 73 1.996 14.602 -21.190 1.00 0.00 N ATOM 834 CA MET A 73 3.330 14.233 -21.669 1.00 0.00 C ATOM 835 C MET A 73 4.385 15.226 -21.161 1.00 0.00 C ATOM 836 O MET A 73 4.206 16.441 -21.266 1.00 0.00 O ATOM 837 CB MET A 73 3.321 14.167 -23.206 1.00 0.00 C ATOM 838 CG MET A 73 4.668 13.722 -23.786 1.00 0.00 C ATOM 839 SD MET A 73 5.193 12.065 -23.270 1.00 0.00 S ATOM 840 CE MET A 73 6.917 12.105 -23.820 1.00 0.00 C ATOM 0 H MET A 73 1.582 15.351 -21.746 1.00 0.00 H new ATOM 0 HA MET A 73 3.593 13.250 -21.277 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.544 13.476 -23.531 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.064 15.148 -23.606 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.608 13.749 -24.874 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.432 14.441 -23.491 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.436 11.218 -23.456 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.951 12.124 -24.909 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.404 12.997 -23.426 1.00 0.00 H new ATOM 850 N VAL A 74 5.501 14.715 -20.639 1.00 0.00 N ATOM 851 CA VAL A 74 6.546 15.479 -19.940 1.00 0.00 C ATOM 852 C VAL A 74 7.909 15.264 -20.612 1.00 0.00 C ATOM 853 O VAL A 74 8.322 14.131 -20.870 1.00 0.00 O ATOM 854 CB VAL A 74 6.613 15.079 -18.451 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.604 15.973 -17.697 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.245 15.207 -17.760 1.00 0.00 C ATOM 0 H VAL A 74 5.714 13.719 -20.691 1.00 0.00 H new ATOM 0 HA VAL A 74 6.291 16.537 -20.000 1.00 0.00 H new ATOM 0 HB VAL A 74 6.935 14.038 -18.424 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.637 15.676 -16.649 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.596 15.867 -18.136 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.284 17.012 -17.769 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.337 14.916 -16.714 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.902 16.240 -17.820 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.525 14.556 -18.256 1.00 0.00 H new ATOM 866 N TYR A 75 8.629 16.358 -20.855 1.00 0.00 N ATOM 867 CA TYR A 75 10.008 16.386 -21.351 1.00 0.00 C ATOM 868 C TYR A 75 10.964 16.955 -20.289 1.00 0.00 C ATOM 869 O TYR A 75 10.538 17.572 -19.313 1.00 0.00 O ATOM 870 CB TYR A 75 10.046 17.198 -22.654 1.00 0.00 C ATOM 871 CG TYR A 75 9.356 16.463 -23.777 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.996 15.345 -24.335 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.061 16.825 -24.199 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.336 14.566 -25.295 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.410 16.065 -25.190 1.00 0.00 C ATOM 876 CZ TYR A 75 8.047 14.930 -25.743 1.00 0.00 C ATOM 877 OH TYR A 75 7.429 14.183 -26.701 1.00 0.00 O ATOM 0 H TYR A 75 8.251 17.293 -20.705 1.00 0.00 H new ATOM 0 HA TYR A 75 10.348 15.371 -21.559 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.564 18.163 -22.498 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.081 17.399 -22.930 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.997 15.085 -24.024 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.569 17.683 -23.764 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.815 13.684 -25.694 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.424 16.349 -25.528 1.00 0.00 H new ATOM 0 HH TYR A 75 6.548 14.566 -26.897 1.00 0.00 H new ATOM 887 N CYS A 76 12.268 16.766 -20.493 1.00 0.00 N ATOM 888 CA CYS A 76 13.327 17.234 -19.588 1.00 0.00 C ATOM 889 C CYS A 76 14.508 17.908 -20.309 1.00 0.00 C ATOM 890 O CYS A 76 15.226 18.681 -19.682 1.00 0.00 O ATOM 891 CB CYS A 76 13.850 16.014 -18.827 1.00 0.00 C ATOM 892 SG CYS A 76 12.622 15.362 -17.654 1.00 0.00 S ATOM 0 H CYS A 76 12.629 16.273 -21.309 1.00 0.00 H new ATOM 0 HA CYS A 76 12.894 17.990 -18.933 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.122 15.233 -19.537 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.758 16.285 -18.288 1.00 0.00 H new ATOM 0 HG CYS A 76 13.116 14.329 -17.039 1.00 0.00 H new ATOM 898 N GLY A 77 14.765 17.583 -21.585 1.00 0.00 N ATOM 899 CA GLY A 77 15.816 18.214 -22.404 1.00 0.00 C ATOM 900 C GLY A 77 17.231 18.214 -21.795 1.00 0.00 C ATOM 901 O GLY A 77 17.993 19.161 -22.008 1.00 0.00 O ATOM 0 H GLY A 77 14.242 16.864 -22.086 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.855 17.704 -23.367 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.526 19.246 -22.601 1.00 0.00 H new ATOM 905 N GLY A 78 17.570 17.188 -21.005 1.00 0.00 N ATOM 906 CA GLY A 78 18.860 17.052 -20.315 1.00 0.00 C ATOM 907 C GLY A 78 18.953 17.722 -18.933 1.00 0.00 C ATOM 908 O GLY A 78 20.061 17.872 -18.414 1.00 0.00 O ATOM 0 H GLY A 78 16.938 16.408 -20.823 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.079 15.990 -20.199 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.638 17.470 -20.954 1.00 0.00 H new ATOM 912 N ASP A 79 17.832 18.133 -18.321 1.00 0.00 N ATOM 913 CA ASP A 79 17.808 18.688 -16.963 1.00 0.00 C ATOM 914 C ASP A 79 18.122 17.616 -15.897 1.00 0.00 C ATOM 915 O ASP A 79 18.095 16.402 -16.144 1.00 0.00 O ATOM 916 CB ASP A 79 16.451 19.388 -16.731 1.00 0.00 C ATOM 917 CG ASP A 79 16.435 20.468 -15.629 1.00 0.00 C ATOM 918 OD1 ASP A 79 17.464 20.699 -14.952 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.375 21.114 -15.451 1.00 0.00 O ATOM 0 H ASP A 79 16.912 18.088 -18.759 1.00 0.00 H new ATOM 0 HA ASP A 79 18.599 19.431 -16.861 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.135 19.846 -17.668 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.710 18.629 -16.481 1.00 0.00 H new ATOM 924 N LEU A 80 18.382 18.070 -14.673 1.00 0.00 N ATOM 925 CA LEU A 80 18.728 17.227 -13.530 1.00 0.00 C ATOM 926 C LEU A 80 17.638 16.183 -13.215 1.00 0.00 C ATOM 927 O LEU A 80 17.957 15.098 -12.739 1.00 0.00 O ATOM 928 CB LEU A 80 19.062 18.119 -12.321 1.00 0.00 C ATOM 929 CG LEU A 80 20.498 18.679 -12.245 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.546 17.577 -12.075 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.889 19.542 -13.446 1.00 0.00 C ATOM 0 H LEU A 80 18.357 19.063 -14.442 1.00 0.00 H new ATOM 0 HA LEU A 80 19.613 16.643 -13.783 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.369 18.960 -12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.872 17.546 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 80 20.486 19.314 -11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.539 18.024 -12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.350 17.028 -11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.496 16.894 -12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.911 19.899 -13.320 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.822 18.949 -14.358 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.213 20.394 -13.517 1.00 0.00 H new ATOM 943 N LEU A 81 16.368 16.461 -13.534 1.00 0.00 N ATOM 944 CA LEU A 81 15.278 15.474 -13.435 1.00 0.00 C ATOM 945 C LEU A 81 15.439 14.327 -14.454 1.00 0.00 C ATOM 946 O LEU A 81 15.259 13.163 -14.104 1.00 0.00 O ATOM 947 CB LEU A 81 13.918 16.187 -13.584 1.00 0.00 C ATOM 948 CG LEU A 81 12.696 15.249 -13.460 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.561 14.667 -12.052 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.404 15.999 -13.775 1.00 0.00 C ATOM 0 H LEU A 81 16.064 17.375 -13.868 1.00 0.00 H new ATOM 0 HA LEU A 81 15.323 15.010 -12.450 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.843 16.966 -12.825 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.885 16.683 -14.554 1.00 0.00 H new ATOM 0 HG LEU A 81 12.858 14.441 -14.174 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.689 14.014 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.456 14.094 -11.808 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.442 15.478 -11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.557 15.320 -13.682 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.284 16.827 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.447 16.387 -14.793 1.00 0.00 H new ATOM 962 N GLY A 82 15.831 14.635 -15.695 1.00 0.00 N ATOM 963 CA GLY A 82 16.185 13.619 -16.699 1.00 0.00 C ATOM 964 C GLY A 82 17.411 12.801 -16.287 1.00 0.00 C ATOM 965 O GLY A 82 17.416 11.579 -16.434 1.00 0.00 O ATOM 0 H GLY A 82 15.913 15.594 -16.034 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.338 12.950 -16.850 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.380 14.107 -17.654 1.00 0.00 H new ATOM 969 N GLU A 83 18.416 13.436 -15.677 1.00 0.00 N ATOM 970 CA GLU A 83 19.576 12.754 -15.111 1.00 0.00 C ATOM 971 C GLU A 83 19.193 11.852 -13.914 1.00 0.00 C ATOM 972 O GLU A 83 19.720 10.745 -13.787 1.00 0.00 O ATOM 973 CB GLU A 83 20.569 13.866 -14.760 1.00 0.00 C ATOM 974 CG GLU A 83 21.684 13.487 -13.797 1.00 0.00 C ATOM 975 CD GLU A 83 22.629 12.375 -14.303 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.815 12.219 -15.535 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.230 11.665 -13.460 1.00 0.00 O ATOM 0 H GLU A 83 18.444 14.449 -15.563 1.00 0.00 H new ATOM 0 HA GLU A 83 20.027 12.055 -15.816 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.021 14.227 -15.684 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.013 14.700 -14.331 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.276 14.376 -13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.238 13.165 -12.856 1.00 0.00 H new ATOM 984 N LEU A 84 18.235 12.276 -13.078 1.00 0.00 N ATOM 985 CA LEU A 84 17.721 11.511 -11.936 1.00 0.00 C ATOM 986 C LEU A 84 16.942 10.253 -12.371 1.00 0.00 C ATOM 987 O LEU A 84 17.136 9.177 -11.801 1.00 0.00 O ATOM 988 CB LEU A 84 16.853 12.448 -11.070 1.00 0.00 C ATOM 989 CG LEU A 84 16.242 11.808 -9.809 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.310 11.353 -8.816 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.337 12.821 -9.106 1.00 0.00 C ATOM 0 H LEU A 84 17.785 13.185 -13.181 1.00 0.00 H new ATOM 0 HA LEU A 84 18.563 11.144 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.461 13.300 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.044 12.838 -11.687 1.00 0.00 H new ATOM 0 HG LEU A 84 15.677 10.934 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.830 10.909 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.957 10.615 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.906 12.211 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.906 12.366 -8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.922 13.695 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.537 13.125 -9.781 1.00 0.00 H new ATOM 1003 N LEU A 85 16.086 10.376 -13.393 1.00 0.00 N ATOM 1004 CA LEU A 85 15.294 9.266 -13.954 1.00 0.00 C ATOM 1005 C LEU A 85 16.093 8.400 -14.954 1.00 0.00 C ATOM 1006 O LEU A 85 15.683 7.281 -15.276 1.00 0.00 O ATOM 1007 CB LEU A 85 14.013 9.845 -14.600 1.00 0.00 C ATOM 1008 CG LEU A 85 12.819 10.029 -13.639 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.107 10.913 -12.427 1.00 0.00 C ATOM 1010 CD2 LEU A 85 11.652 10.669 -14.390 1.00 0.00 C ATOM 0 H LEU A 85 15.919 11.265 -13.864 1.00 0.00 H new ATOM 0 HA LEU A 85 15.025 8.592 -13.141 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.254 10.811 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.706 9.188 -15.414 1.00 0.00 H new ATOM 0 HG LEU A 85 12.593 9.027 -13.273 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.212 10.985 -11.809 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.917 10.477 -11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.397 11.908 -12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.809 10.799 -13.711 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.958 11.641 -14.778 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.355 10.025 -15.218 1.00 0.00 H new ATOM 1022 N GLY A 86 17.201 8.922 -15.492 1.00 0.00 N ATOM 1023 CA GLY A 86 18.025 8.305 -16.543 1.00 0.00 C ATOM 1024 C GLY A 86 17.467 8.491 -17.964 1.00 0.00 C ATOM 1025 O GLY A 86 18.178 8.269 -18.946 1.00 0.00 O ATOM 0 H GLY A 86 17.566 9.827 -15.195 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.028 8.728 -16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.120 7.239 -16.337 1.00 0.00 H new ATOM 1029 N ARG A 87 16.197 8.909 -18.072 1.00 0.00 N ATOM 1030 CA ARG A 87 15.455 9.224 -19.300 1.00 0.00 C ATOM 1031 C ARG A 87 14.884 10.624 -19.185 1.00 0.00 C ATOM 1032 O ARG A 87 14.353 11.000 -18.142 1.00 0.00 O ATOM 1033 CB ARG A 87 14.303 8.226 -19.549 1.00 0.00 C ATOM 1034 CG ARG A 87 14.680 6.739 -19.615 1.00 0.00 C ATOM 1035 CD ARG A 87 14.970 6.124 -18.237 1.00 0.00 C ATOM 1036 NE ARG A 87 14.862 4.657 -18.225 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.991 3.897 -17.152 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.215 4.373 -15.961 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.898 2.605 -17.228 1.00 0.00 N ATOM 0 H ARG A 87 15.620 9.045 -17.242 1.00 0.00 H new ATOM 0 HA ARG A 87 16.146 9.154 -20.140 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.564 8.355 -18.758 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.816 8.495 -20.486 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.869 6.186 -20.088 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.558 6.622 -20.250 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.973 6.411 -17.922 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.275 6.539 -17.507 1.00 0.00 H new ATOM 0 HE ARG A 87 14.673 4.191 -19.113 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.299 5.380 -15.822 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.306 3.739 -15.167 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.722 2.158 -18.128 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.001 2.036 -16.388 1.00 0.00 H new ATOM 1053 N GLN A 88 14.959 11.372 -20.280 1.00 0.00 N ATOM 1054 CA GLN A 88 14.573 12.780 -20.321 1.00 0.00 C ATOM 1055 C GLN A 88 13.147 12.998 -20.887 1.00 0.00 C ATOM 1056 O GLN A 88 12.790 14.114 -21.261 1.00 0.00 O ATOM 1057 CB GLN A 88 15.729 13.568 -20.974 1.00 0.00 C ATOM 1058 CG GLN A 88 15.612 13.608 -22.497 1.00 0.00 C ATOM 1059 CD GLN A 88 16.900 14.006 -23.220 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.858 14.508 -22.647 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.972 13.805 -24.518 1.00 0.00 N ATOM 0 H GLN A 88 15.293 11.015 -21.175 1.00 0.00 H new ATOM 0 HA GLN A 88 14.451 13.192 -19.319 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.738 14.586 -20.585 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.679 13.113 -20.696 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.300 12.626 -22.851 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.825 14.310 -22.770 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.184 13.388 -25.014 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.816 14.066 -25.029 1.00 0.00 H new ATOM 1070 N SER A 89 12.323 11.947 -20.954 1.00 0.00 N ATOM 1071 CA SER A 89 10.888 12.053 -21.262 1.00 0.00 C ATOM 1072 C SER A 89 10.067 10.899 -20.664 1.00 0.00 C ATOM 1073 O SER A 89 10.554 9.772 -20.529 1.00 0.00 O ATOM 1074 CB SER A 89 10.653 12.156 -22.774 1.00 0.00 C ATOM 1075 OG SER A 89 11.084 10.986 -23.457 1.00 0.00 O ATOM 0 H SER A 89 12.634 10.989 -20.795 1.00 0.00 H new ATOM 0 HA SER A 89 10.538 12.971 -20.791 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.593 12.319 -22.967 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.185 13.023 -23.166 1.00 0.00 H new ATOM 0 HG SER A 89 10.917 11.088 -24.417 1.00 0.00 H new ATOM 1081 N PHE A 90 8.827 11.200 -20.269 1.00 0.00 N ATOM 1082 CA PHE A 90 7.852 10.278 -19.666 1.00 0.00 C ATOM 1083 C PHE A 90 6.438 10.892 -19.719 1.00 0.00 C ATOM 1084 O PHE A 90 6.274 12.048 -20.106 1.00 0.00 O ATOM 1085 CB PHE A 90 8.258 9.959 -18.212 1.00 0.00 C ATOM 1086 CG PHE A 90 8.395 11.157 -17.290 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.625 11.838 -17.196 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.302 11.578 -16.509 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.760 12.938 -16.332 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.440 12.675 -15.640 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.670 13.351 -15.549 1.00 0.00 C ATOM 0 H PHE A 90 8.453 12.144 -20.365 1.00 0.00 H new ATOM 0 HA PHE A 90 7.842 9.347 -20.233 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.518 9.280 -17.788 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.208 9.425 -18.228 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.467 11.514 -17.790 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.358 11.059 -16.577 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.701 13.465 -16.270 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.601 12.999 -15.042 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.776 14.189 -14.876 1.00 0.00 H new ATOM 1101 N SER A 91 5.402 10.153 -19.320 1.00 0.00 N ATOM 1102 CA SER A 91 4.028 10.674 -19.231 1.00 0.00 C ATOM 1103 C SER A 91 3.307 10.177 -17.977 1.00 0.00 C ATOM 1104 O SER A 91 3.786 9.274 -17.291 1.00 0.00 O ATOM 1105 CB SER A 91 3.249 10.300 -20.495 1.00 0.00 C ATOM 1106 OG SER A 91 2.768 8.969 -20.412 1.00 0.00 O ATOM 0 H SER A 91 5.487 9.174 -19.048 1.00 0.00 H new ATOM 0 HA SER A 91 4.083 11.760 -19.153 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.413 10.986 -20.629 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.892 10.406 -21.369 1.00 0.00 H new ATOM 0 HG SER A 91 2.272 8.749 -21.228 1.00 0.00 H new ATOM 1112 N VAL A 92 2.116 10.713 -17.695 1.00 0.00 N ATOM 1113 CA VAL A 92 1.247 10.183 -16.623 1.00 0.00 C ATOM 1114 C VAL A 92 0.590 8.832 -16.975 1.00 0.00 C ATOM 1115 O VAL A 92 -0.010 8.197 -16.106 1.00 0.00 O ATOM 1116 CB VAL A 92 0.223 11.224 -16.134 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.936 12.486 -15.631 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.779 11.618 -17.222 1.00 0.00 C ATOM 0 H VAL A 92 1.725 11.514 -18.191 1.00 0.00 H new ATOM 0 HA VAL A 92 1.911 9.973 -15.784 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.329 10.755 -15.320 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.196 13.210 -15.290 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.597 12.225 -14.804 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.522 12.920 -16.441 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.478 12.354 -16.824 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.245 12.046 -18.070 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.329 10.735 -17.547 1.00 0.00 H new ATOM 1128 N LYS A 93 0.718 8.367 -18.231 1.00 0.00 N ATOM 1129 CA LYS A 93 0.351 7.006 -18.678 1.00 0.00 C ATOM 1130 C LYS A 93 1.548 6.040 -18.673 1.00 0.00 C ATOM 1131 O LYS A 93 1.357 4.830 -18.550 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.298 7.068 -20.075 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.656 7.791 -20.127 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.771 7.046 -19.372 1.00 0.00 C ATOM 1135 CE LYS A 93 -4.140 7.731 -19.509 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.723 7.588 -20.874 1.00 0.00 N ATOM 0 H LYS A 93 1.090 8.942 -18.987 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.370 6.610 -17.963 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.390 7.568 -20.757 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.430 6.051 -20.444 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.545 8.789 -19.704 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.953 7.917 -21.168 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.840 6.026 -19.749 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.507 6.978 -18.317 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.828 7.306 -18.778 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.037 8.790 -19.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.645 8.068 -20.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.082 8.017 -21.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.849 6.579 -21.094 1.00 0.00 H new ATOM 1150 N ASP A 94 2.771 6.568 -18.766 1.00 0.00 N ATOM 1151 CA ASP A 94 4.043 5.835 -18.738 1.00 0.00 C ATOM 1152 C ASP A 94 5.049 6.455 -17.729 1.00 0.00 C ATOM 1153 O ASP A 94 6.089 6.988 -18.133 1.00 0.00 O ATOM 1154 CB ASP A 94 4.584 5.766 -20.177 1.00 0.00 C ATOM 1155 CG ASP A 94 5.859 4.910 -20.306 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.961 3.857 -19.632 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.742 5.258 -21.127 1.00 0.00 O ATOM 0 H ASP A 94 2.910 7.573 -18.869 1.00 0.00 H new ATOM 0 HA ASP A 94 3.885 4.819 -18.375 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.812 5.357 -20.829 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.795 6.776 -20.528 1.00 0.00 H new ATOM 1162 N PRO A 95 4.754 6.421 -16.409 1.00 0.00 N ATOM 1163 CA PRO A 95 5.594 7.009 -15.354 1.00 0.00 C ATOM 1164 C PRO A 95 6.768 6.110 -14.917 1.00 0.00 C ATOM 1165 O PRO A 95 7.533 6.477 -14.022 1.00 0.00 O ATOM 1166 CB PRO A 95 4.625 7.257 -14.195 1.00 0.00 C ATOM 1167 CG PRO A 95 3.685 6.057 -14.307 1.00 0.00 C ATOM 1168 CD PRO A 95 3.520 5.913 -15.817 1.00 0.00 C ATOM 0 HA PRO A 95 6.083 7.915 -15.711 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.137 7.286 -13.233 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.094 8.203 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.114 5.161 -13.858 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.732 6.239 -13.809 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.355 4.872 -16.094 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.657 6.477 -16.170 1.00 0.00 H new ATOM 1176 N SER A 96 6.914 4.926 -15.522 1.00 0.00 N ATOM 1177 CA SER A 96 7.863 3.865 -15.150 1.00 0.00 C ATOM 1178 C SER A 96 9.312 4.307 -14.868 1.00 0.00 C ATOM 1179 O SER A 96 9.887 3.752 -13.933 1.00 0.00 O ATOM 1180 CB SER A 96 7.855 2.762 -16.217 1.00 0.00 C ATOM 1181 OG SER A 96 6.538 2.251 -16.373 1.00 0.00 O ATOM 0 H SER A 96 6.344 4.666 -16.327 1.00 0.00 H new ATOM 0 HA SER A 96 7.499 3.502 -14.189 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.215 3.159 -17.166 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.534 1.960 -15.929 1.00 0.00 H new ATOM 0 HG SER A 96 6.538 1.549 -17.056 1.00 0.00 H new ATOM 1187 N PRO A 97 9.917 5.310 -15.547 1.00 0.00 N ATOM 1188 CA PRO A 97 11.256 5.808 -15.203 1.00 0.00 C ATOM 1189 C PRO A 97 11.450 6.252 -13.740 1.00 0.00 C ATOM 1190 O PRO A 97 12.542 6.088 -13.203 1.00 0.00 O ATOM 1191 CB PRO A 97 11.494 6.974 -16.166 1.00 0.00 C ATOM 1192 CG PRO A 97 10.747 6.525 -17.418 1.00 0.00 C ATOM 1193 CD PRO A 97 9.489 5.910 -16.809 1.00 0.00 C ATOM 0 HA PRO A 97 11.976 4.996 -15.301 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.101 7.912 -15.773 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.555 7.130 -16.360 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.518 7.359 -18.081 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.318 5.802 -18.001 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.723 6.668 -16.643 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.058 5.161 -17.473 1.00 0.00 H new ATOM 1201 N LEU A 98 10.405 6.765 -13.074 1.00 0.00 N ATOM 1202 CA LEU A 98 10.423 7.147 -11.650 1.00 0.00 C ATOM 1203 C LEU A 98 10.491 5.892 -10.755 1.00 0.00 C ATOM 1204 O LEU A 98 11.372 5.740 -9.897 1.00 0.00 O ATOM 1205 CB LEU A 98 9.170 8.026 -11.416 1.00 0.00 C ATOM 1206 CG LEU A 98 9.034 8.741 -10.056 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.942 9.808 -10.148 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.633 7.808 -8.911 1.00 0.00 C ATOM 0 H LEU A 98 9.502 6.930 -13.519 1.00 0.00 H new ATOM 0 HA LEU A 98 11.309 7.722 -11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.144 8.786 -12.197 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.290 7.397 -11.553 1.00 0.00 H new ATOM 0 HG LEU A 98 10.018 9.157 -9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.845 10.314 -9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.207 10.535 -10.916 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.994 9.337 -10.407 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.556 8.379 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.670 7.350 -9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.387 7.029 -8.795 1.00 0.00 H new ATOM 1220 N TYR A 99 9.590 4.943 -11.014 1.00 0.00 N ATOM 1221 CA TYR A 99 9.544 3.674 -10.292 1.00 0.00 C ATOM 1222 C TYR A 99 10.821 2.854 -10.507 1.00 0.00 C ATOM 1223 O TYR A 99 11.340 2.282 -9.557 1.00 0.00 O ATOM 1224 CB TYR A 99 8.295 2.880 -10.699 1.00 0.00 C ATOM 1225 CG TYR A 99 6.985 3.546 -10.317 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.471 3.384 -9.015 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.277 4.319 -11.259 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.252 3.989 -8.654 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.060 4.929 -10.898 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.543 4.767 -9.595 1.00 0.00 C ATOM 1231 OH TYR A 99 3.359 5.351 -9.261 1.00 0.00 O ATOM 0 H TYR A 99 8.871 5.034 -11.732 1.00 0.00 H new ATOM 0 HA TYR A 99 9.484 3.892 -9.226 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.311 2.726 -11.778 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.338 1.894 -10.236 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.014 2.794 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.668 4.444 -12.258 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.859 3.858 -7.657 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.521 5.523 -11.621 1.00 0.00 H new ATOM 0 HH TYR A 99 3.011 5.849 -10.030 1.00 0.00 H new ATOM 1241 N ASP A 100 11.397 2.870 -11.708 1.00 0.00 N ATOM 1242 CA ASP A 100 12.685 2.234 -12.010 1.00 0.00 C ATOM 1243 C ASP A 100 13.867 2.898 -11.281 1.00 0.00 C ATOM 1244 O ASP A 100 14.820 2.228 -10.881 1.00 0.00 O ATOM 1245 CB ASP A 100 12.911 2.291 -13.519 1.00 0.00 C ATOM 1246 CG ASP A 100 14.090 1.406 -13.945 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.035 0.171 -13.732 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.057 1.952 -14.529 1.00 0.00 O ATOM 0 H ASP A 100 10.977 3.332 -12.514 1.00 0.00 H new ATOM 0 HA ASP A 100 12.641 1.204 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.007 1.968 -14.036 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.100 3.321 -13.821 1.00 0.00 H new ATOM 1253 N MET A 101 13.771 4.210 -11.052 1.00 0.00 N ATOM 1254 CA MET A 101 14.694 4.975 -10.207 1.00 0.00 C ATOM 1255 C MET A 101 14.643 4.488 -8.748 1.00 0.00 C ATOM 1256 O MET A 101 15.698 4.276 -8.149 1.00 0.00 O ATOM 1257 CB MET A 101 14.410 6.488 -10.381 1.00 0.00 C ATOM 1258 CG MET A 101 14.297 7.316 -9.094 1.00 0.00 C ATOM 1259 SD MET A 101 13.572 8.960 -9.328 1.00 0.00 S ATOM 1260 CE MET A 101 12.234 8.852 -8.107 1.00 0.00 C ATOM 0 H MET A 101 13.032 4.784 -11.458 1.00 0.00 H new ATOM 0 HA MET A 101 15.723 4.806 -10.523 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.204 6.916 -10.993 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.481 6.599 -10.940 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.694 6.765 -8.373 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.290 7.428 -8.659 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.668 9.783 -8.104 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.572 8.026 -8.365 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.658 8.682 -7.117 1.00 0.00 H new ATOM 1270 N LEU A 102 13.443 4.283 -8.175 1.00 0.00 N ATOM 1271 CA LEU A 102 13.302 3.931 -6.746 1.00 0.00 C ATOM 1272 C LEU A 102 13.220 2.439 -6.413 1.00 0.00 C ATOM 1273 O LEU A 102 13.548 2.071 -5.288 1.00 0.00 O ATOM 1274 CB LEU A 102 12.194 4.748 -6.069 1.00 0.00 C ATOM 1275 CG LEU A 102 10.774 4.662 -6.650 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.035 3.381 -6.265 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.978 5.859 -6.140 1.00 0.00 C ATOM 0 H LEU A 102 12.558 4.354 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 102 14.260 4.218 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.146 4.443 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.497 5.795 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 102 10.866 4.659 -7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.040 3.388 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.590 2.517 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.948 3.323 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.965 5.819 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.939 5.833 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.460 6.781 -6.464 1.00 0.00 H new ATOM 1289 N ARG A 103 12.883 1.560 -7.362 1.00 0.00 N ATOM 1290 CA ARG A 103 12.837 0.099 -7.121 1.00 0.00 C ATOM 1291 C ARG A 103 14.206 -0.490 -6.764 1.00 0.00 C ATOM 1292 O ARG A 103 14.325 -1.486 -6.054 1.00 0.00 O ATOM 1293 CB ARG A 103 12.185 -0.627 -8.316 1.00 0.00 C ATOM 1294 CG ARG A 103 12.947 -0.592 -9.657 1.00 0.00 C ATOM 1295 CD ARG A 103 14.069 -1.624 -9.870 1.00 0.00 C ATOM 1296 NE ARG A 103 13.568 -3.013 -9.821 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.075 -3.725 -10.821 1.00 0.00 C ATOM 1298 NH1 ARG A 103 12.972 -3.252 -12.033 1.00 0.00 N ATOM 1299 NH2 ARG A 103 12.670 -4.946 -10.618 1.00 0.00 N ATOM 0 H ARG A 103 12.635 1.830 -8.314 1.00 0.00 H new ATOM 0 HA ARG A 103 12.212 -0.065 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.036 -1.670 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.197 -0.196 -8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.220 -0.717 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.380 0.402 -9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.546 -1.446 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.834 -1.489 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 103 13.607 -3.476 -8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.278 -2.300 -12.237 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.586 -3.834 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.732 -5.356 -9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.290 -5.493 -11.391 1.00 0.00 H new ATOM 1313 N LYS A 104 15.242 0.193 -7.259 1.00 0.00 N ATOM 1314 CA LYS A 104 16.668 0.011 -6.955 1.00 0.00 C ATOM 1315 C LYS A 104 16.989 0.291 -5.477 1.00 0.00 C ATOM 1316 O LYS A 104 17.889 -0.337 -4.920 1.00 0.00 O ATOM 1317 CB LYS A 104 17.418 0.946 -7.916 1.00 0.00 C ATOM 1318 CG LYS A 104 18.950 0.887 -7.836 1.00 0.00 C ATOM 1319 CD LYS A 104 19.592 1.643 -9.015 1.00 0.00 C ATOM 1320 CE LYS A 104 19.122 3.102 -9.173 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.698 4.001 -8.130 1.00 0.00 N ATOM 0 H LYS A 104 15.097 0.944 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 104 16.978 -1.024 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.116 0.708 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.101 1.970 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.286 1.321 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.279 -0.152 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.675 1.635 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.375 1.103 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.405 3.467 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.034 3.138 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.353 4.971 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.407 3.670 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.736 3.989 -8.196 1.00 0.00 H new ATOM 1335 N ASN A 105 16.229 1.187 -4.835 1.00 0.00 N ATOM 1336 CA ASN A 105 16.276 1.401 -3.383 1.00 0.00 C ATOM 1337 C ASN A 105 15.380 0.413 -2.602 1.00 0.00 C ATOM 1338 O ASN A 105 15.905 -0.429 -1.871 1.00 0.00 O ATOM 1339 CB ASN A 105 15.953 2.863 -3.068 1.00 0.00 C ATOM 1340 CG ASN A 105 15.971 3.111 -1.567 1.00 0.00 C ATOM 1341 OD1 ASN A 105 14.964 2.980 -0.894 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.106 3.445 -0.998 1.00 0.00 N ATOM 0 H ASN A 105 15.558 1.789 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 105 17.289 1.191 -3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.678 3.513 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.973 3.118 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.146 3.595 0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.948 3.554 -1.564 1.00 0.00 H new ATOM 1349 N LEU A 106 14.049 0.515 -2.745 1.00 0.00 N ATOM 1350 CA LEU A 106 13.063 -0.285 -2.000 1.00 0.00 C ATOM 1351 C LEU A 106 12.274 -1.256 -2.895 1.00 0.00 C ATOM 1352 O LEU A 106 11.880 -0.911 -4.008 1.00 0.00 O ATOM 1353 CB LEU A 106 12.133 0.614 -1.148 1.00 0.00 C ATOM 1354 CG LEU A 106 11.138 1.531 -1.900 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.936 1.857 -1.013 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.749 2.871 -2.318 1.00 0.00 C ATOM 0 H LEU A 106 13.618 1.171 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 106 13.629 -0.914 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.559 -0.031 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.760 1.244 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 106 10.851 0.973 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.247 2.502 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.427 0.934 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.276 2.368 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.999 3.466 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.087 3.409 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.597 2.694 -2.980 1.00 0.00 H new ATOM 1368 N VAL A 107 11.971 -2.452 -2.378 1.00 0.00 N ATOM 1369 CA VAL A 107 11.043 -3.398 -3.027 1.00 0.00 C ATOM 1370 C VAL A 107 9.612 -2.893 -2.809 1.00 0.00 C ATOM 1371 O VAL A 107 9.133 -2.842 -1.674 1.00 0.00 O ATOM 1372 CB VAL A 107 11.234 -4.837 -2.503 1.00 0.00 C ATOM 1373 CG1 VAL A 107 10.280 -5.819 -3.197 1.00 0.00 C ATOM 1374 CG2 VAL A 107 12.667 -5.332 -2.752 1.00 0.00 C ATOM 0 H VAL A 107 12.359 -2.795 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 107 11.253 -3.442 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 107 11.024 -4.804 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.442 -6.823 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.249 -5.518 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.471 -5.815 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.772 -6.348 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 107 12.875 -5.321 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.372 -4.678 -2.238 1.00 0.00 H new ATOM 1384 N THR A 108 8.946 -2.466 -3.886 1.00 0.00 N ATOM 1385 CA THR A 108 7.634 -1.793 -3.832 1.00 0.00 C ATOM 1386 C THR A 108 6.813 -1.975 -5.117 1.00 0.00 C ATOM 1387 O THR A 108 7.265 -2.582 -6.092 1.00 0.00 O ATOM 1388 CB THR A 108 7.826 -0.304 -3.480 1.00 0.00 C ATOM 1389 OG1 THR A 108 6.593 0.272 -3.096 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.436 0.538 -4.601 1.00 0.00 C ATOM 0 H THR A 108 9.303 -2.577 -4.835 1.00 0.00 H new ATOM 0 HA THR A 108 7.050 -2.270 -3.045 1.00 0.00 H new ATOM 0 HB THR A 108 8.540 -0.295 -2.656 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.728 1.217 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.535 1.571 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.419 0.144 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.789 0.500 -5.478 1.00 0.00 H new ATOM 1398 N LEU A 109 5.583 -1.460 -5.098 1.00 0.00 N ATOM 1399 CA LEU A 109 4.605 -1.519 -6.190 1.00 0.00 C ATOM 1400 C LEU A 109 4.792 -0.374 -7.209 1.00 0.00 C ATOM 1401 O LEU A 109 5.336 0.686 -6.887 1.00 0.00 O ATOM 1402 CB LEU A 109 3.177 -1.523 -5.604 1.00 0.00 C ATOM 1403 CG LEU A 109 2.864 -2.676 -4.628 1.00 0.00 C ATOM 1404 CD1 LEU A 109 1.428 -2.541 -4.118 1.00 0.00 C ATOM 1405 CD2 LEU A 109 3.011 -4.055 -5.275 1.00 0.00 C ATOM 0 H LEU A 109 5.222 -0.966 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 109 4.768 -2.445 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.012 -0.578 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.465 -1.564 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 109 3.585 -2.602 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.209 -3.356 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.313 -1.588 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.737 -2.582 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.779 -4.827 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.325 -4.136 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.035 -4.185 -5.627 1.00 0.00 H new ATOM 1417 N ALA A 110 4.306 -0.587 -8.435 1.00 0.00 N ATOM 1418 CA ALA A 110 4.333 0.377 -9.540 1.00 0.00 C ATOM 1419 C ALA A 110 3.103 0.247 -10.456 1.00 0.00 C ATOM 1420 O ALA A 110 2.298 -0.680 -10.315 1.00 0.00 O ATOM 1421 CB ALA A 110 5.610 0.164 -10.353 1.00 0.00 C ATOM 0 H ALA A 110 3.866 -1.469 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 110 4.313 1.380 -9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.639 0.876 -11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.479 0.315 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.624 -0.851 -10.750 1.00 0.00 H new ATOM 1427 N THR A 111 2.957 1.182 -11.403 1.00 0.00 N ATOM 1428 CA THR A 111 1.789 1.262 -12.296 1.00 0.00 C ATOM 1429 C THR A 111 2.063 1.971 -13.626 1.00 0.00 C ATOM 1430 O THR A 111 3.060 2.688 -13.778 1.00 0.00 O ATOM 1431 CB THR A 111 0.640 1.933 -11.536 1.00 0.00 C ATOM 1432 OG1 THR A 111 -0.572 1.728 -12.232 1.00 0.00 O ATOM 1433 CG2 THR A 111 0.816 3.436 -11.296 1.00 0.00 C ATOM 0 H THR A 111 3.650 1.911 -11.574 1.00 0.00 H new ATOM 0 HA THR A 111 1.522 0.244 -12.578 1.00 0.00 H new ATOM 0 HB THR A 111 0.632 1.463 -10.553 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.306 2.156 -11.744 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.046 3.821 -10.752 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.720 3.608 -10.712 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.900 3.950 -12.254 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.344 13.405 -12.213 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.806 13.611 -11.157 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.313 11.542 -10.855 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.233 15.148 -13.889 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.334 13.862 -12.430 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.585 12.918 -10.226 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.328 10.923 -11.931 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.619 10.787 -9.718 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.226 14.525 -14.662 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.547 16.239 -14.454 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.615 13.420 -12.764 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.860 12.468 -10.564 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.659 9.572 -11.868 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.308 9.429 -9.666 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.566 14.997 -15.926 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.908 16.715 -15.719 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.375 12.723 -11.830 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.331 8.819 -10.744 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.913 16.105 -16.454 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.961 12.166 -12.237 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.479 8.829 -13.191 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.359 16.204 -18.474 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.403 16.611 -15.375 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.515 18.061 -13.301 1.00 0.00 C HETATM 1466 C1 49H A 200 -2.135 19.616 -10.503 1.00 0.00 C HETATM 1467 N1 49H A 200 -3.349 19.055 -10.515 1.00 0.00 N HETATM 1468 O1 49H A 200 -2.068 20.818 -10.335 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.579 17.621 -10.676 1.00 0.00 C HETATM 1470 N2 49H A 200 -1.098 17.292 -11.098 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.480 16.935 -11.506 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.118 15.188 -11.551 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.208 16.622 -17.701 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.909 18.720 -10.689 1.00 0.00 C HETATM 1475 C5 49H A 200 -0.038 16.430 -11.022 1.00 0.00 C HETATM 1476 O5 49H A 200 0.969 16.762 -10.419 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.959 14.584 -12.526 1.00 0.00 C HETATM 1478 O6 49H A 200 0.530 16.802 -13.795 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.724 13.010 -10.923 1.00 0.00 C HETATM 1480 C8 49H A 200 0.400 14.070 -10.749 1.00 0.00 C HETATM 1481 C9 49H A 200 1.610 17.535 -14.426 1.00 0.00 C