USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 772 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 -93:sc= -0.101 USER MOD Set 1.2: A 100 TYR OH : rot -69:sc= 0.447 USER MOD Set 2.1: A 63 GLN : amide:sc= -1.46! C(o=-1.4!,f=-6.6!) USER MOD Set 2.2: A 96 THR OG1 : rot -71:sc= 0.00972 USER MOD Set 3.1: A 49 SER OG : rot 68:sc= 1.18 USER MOD Set 3.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 33 ASN : amide:sc= -0.329 K(o=-13,f=-12) USER MOD Set 4.2: A 36 SER OG : rot 65:sc= -5.77! USER MOD Set 4.3: A 37 ASN : amide:sc= -1.02 K(o=-13,f=-12!) USER MOD Set 4.4: A 40 TYR OH : rot 13:sc= -3.73! USER MOD Set 4.5: A 42 SER OG : rot -117:sc= -1.75! USER MOD Single : A 17 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.1) USER MOD Single : A 22 GLN : amide:sc= -0.683 K(o=-0.68,f=-1.7) USER MOD Single : A 26 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.9!) USER MOD Single : A 32 TYR OH : rot -173:sc= -0.927 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= -0.0381 (180deg=-0.048) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.52 K(o=-1.5,f=-7.8!) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0123 (180deg=-0.367) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -20:sc= 0.217! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.25) 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 130:sc= 0 USER MOD Single : A 94 THR OG1 : rot -65:sc= -0.156 USER MOD Single : A 101 SER OG : rot -163:sc= -1.56! USER MOD Single : A 106 ASN : amide:sc= -0.038 K(o=-0.038,f=0.51) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 145:sc= -0.527 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -9.475 10.050 14.923 1.00 0.00 N ATOM 18 CA PRO A 11 -8.748 8.786 14.610 1.00 0.00 C ATOM 19 C PRO A 11 -7.495 8.658 15.479 1.00 0.00 C ATOM 20 O PRO A 11 -6.960 9.637 15.959 1.00 0.00 O ATOM 21 CB PRO A 11 -8.376 8.959 13.144 1.00 0.00 C ATOM 22 CG PRO A 11 -8.349 10.458 12.863 1.00 0.00 C ATOM 23 CD PRO A 11 -9.158 11.153 13.963 1.00 0.00 C ATOM 0 HA PRO A 11 -9.337 7.889 14.799 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.404 8.511 12.938 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.101 8.459 12.501 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.323 10.827 12.852 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.775 10.671 11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.584 11.947 14.441 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.064 11.610 13.565 1.00 0.00 H new ATOM 31 N VAL A 12 -7.019 7.461 15.683 1.00 0.00 N ATOM 32 CA VAL A 12 -5.810 7.268 16.508 1.00 0.00 C ATOM 33 C VAL A 12 -4.721 6.696 15.603 1.00 0.00 C ATOM 34 O VAL A 12 -5.014 5.920 14.725 1.00 0.00 O ATOM 35 CB VAL A 12 -6.141 6.257 17.610 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.850 5.784 18.263 1.00 0.00 C ATOM 37 CG2 VAL A 12 -7.064 6.875 18.674 1.00 0.00 C ATOM 0 H VAL A 12 -7.425 6.604 15.307 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.477 8.204 16.955 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.663 5.413 17.159 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.082 5.064 19.048 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.215 5.312 17.514 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.327 6.637 18.696 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.281 6.133 19.443 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.571 7.735 19.128 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.995 7.196 18.206 1.00 0.00 H new ATOM 47 N PRO A 13 -3.500 7.091 15.825 1.00 0.00 N ATOM 48 CA PRO A 13 -2.350 6.618 15.011 1.00 0.00 C ATOM 49 C PRO A 13 -1.840 5.275 15.525 1.00 0.00 C ATOM 50 O PRO A 13 -2.033 4.916 16.671 1.00 0.00 O ATOM 51 CB PRO A 13 -1.316 7.718 15.210 1.00 0.00 C ATOM 52 CG PRO A 13 -1.649 8.412 16.531 1.00 0.00 C ATOM 53 CD PRO A 13 -3.094 8.048 16.902 1.00 0.00 C ATOM 0 HA PRO A 13 -2.597 6.452 13.962 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.309 7.301 15.237 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.345 8.428 14.384 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.962 8.092 17.314 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.540 9.492 16.433 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.152 7.589 17.889 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.737 8.928 16.921 1.00 0.00 H new ATOM 61 N VAL A 14 -1.198 4.529 14.676 1.00 0.00 N ATOM 62 CA VAL A 14 -0.675 3.199 15.090 1.00 0.00 C ATOM 63 C VAL A 14 0.836 3.294 15.335 1.00 0.00 C ATOM 64 O VAL A 14 1.480 4.252 14.958 1.00 0.00 O ATOM 65 CB VAL A 14 -0.967 2.185 13.975 1.00 0.00 C ATOM 66 CG1 VAL A 14 -0.019 0.992 14.082 1.00 0.00 C ATOM 67 CG2 VAL A 14 -2.411 1.687 14.098 1.00 0.00 C ATOM 0 H VAL A 14 -1.011 4.784 13.706 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.159 2.877 16.012 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.823 2.674 13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.237 0.281 13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.011 1.336 13.989 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.153 0.506 15.048 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.616 0.967 13.306 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.550 1.209 15.068 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.096 2.530 14.008 1.00 0.00 H new ATOM 77 N ASP A 15 1.396 2.298 15.962 1.00 0.00 N ATOM 78 CA ASP A 15 2.861 2.306 16.240 1.00 0.00 C ATOM 79 C ASP A 15 3.473 1.017 15.694 1.00 0.00 C ATOM 80 O ASP A 15 2.788 0.172 15.153 1.00 0.00 O ATOM 81 CB ASP A 15 3.101 2.386 17.755 1.00 0.00 C ATOM 82 CG ASP A 15 1.900 3.046 18.439 1.00 0.00 C ATOM 83 OD1 ASP A 15 1.768 4.254 18.324 1.00 0.00 O ATOM 84 OD2 ASP A 15 1.135 2.332 19.066 1.00 0.00 O ATOM 0 H ASP A 15 0.899 1.472 16.297 1.00 0.00 H new ATOM 0 HA ASP A 15 3.322 3.169 15.761 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.257 1.386 18.160 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.006 2.958 17.959 1.00 0.00 H new ATOM 89 N GLU A 16 4.760 0.862 15.824 1.00 0.00 N ATOM 90 CA GLU A 16 5.425 -0.370 15.303 1.00 0.00 C ATOM 91 C GLU A 16 4.963 -1.617 16.072 1.00 0.00 C ATOM 92 O GLU A 16 5.393 -2.718 15.788 1.00 0.00 O ATOM 93 CB GLU A 16 6.942 -0.225 15.437 1.00 0.00 C ATOM 94 CG GLU A 16 7.571 -0.147 14.044 1.00 0.00 C ATOM 95 CD GLU A 16 7.521 -1.526 13.384 1.00 0.00 C ATOM 96 OE1 GLU A 16 6.547 -2.230 13.601 1.00 0.00 O ATOM 97 OE2 GLU A 16 8.456 -1.856 12.672 1.00 0.00 O ATOM 0 H GLU A 16 5.384 1.535 16.269 1.00 0.00 H new ATOM 0 HA GLU A 16 5.150 -0.491 14.255 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.184 0.672 16.008 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.352 -1.072 15.986 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.037 0.580 13.432 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.603 0.195 14.118 1.00 0.00 H new ATOM 104 N ASN A 17 4.092 -1.466 17.028 1.00 0.00 N ATOM 105 CA ASN A 17 3.608 -2.647 17.794 1.00 0.00 C ATOM 106 C ASN A 17 2.151 -2.930 17.411 1.00 0.00 C ATOM 107 O ASN A 17 1.324 -3.218 18.253 1.00 0.00 O ATOM 108 CB ASN A 17 3.691 -2.350 19.294 1.00 0.00 C ATOM 109 CG ASN A 17 4.872 -3.111 19.900 1.00 0.00 C ATOM 110 OD1 ASN A 17 5.839 -3.395 19.220 1.00 0.00 O ATOM 111 ND2 ASN A 17 4.835 -3.455 21.157 1.00 0.00 N ATOM 0 H ASN A 17 3.692 -0.572 17.313 1.00 0.00 H new ATOM 0 HA ASN A 17 4.225 -3.515 17.562 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.812 -1.279 19.457 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.764 -2.645 19.786 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.617 -3.962 21.570 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.024 -3.217 21.727 1.00 0.00 H new ATOM 118 N ASP A 18 1.831 -2.849 16.145 1.00 0.00 N ATOM 119 CA ASP A 18 0.431 -3.108 15.710 1.00 0.00 C ATOM 120 C ASP A 18 0.438 -4.105 14.556 1.00 0.00 C ATOM 121 O ASP A 18 0.238 -3.751 13.410 1.00 0.00 O ATOM 122 CB ASP A 18 -0.220 -1.801 15.256 1.00 0.00 C ATOM 123 CG ASP A 18 -1.709 -2.039 14.997 1.00 0.00 C ATOM 124 OD1 ASP A 18 -2.155 -3.156 15.205 1.00 0.00 O ATOM 125 OD2 ASP A 18 -2.378 -1.102 14.597 1.00 0.00 O ATOM 0 H ASP A 18 2.481 -2.614 15.395 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.138 -3.519 16.544 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.090 -1.033 16.019 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.264 -1.436 14.350 1.00 0.00 H new ATOM 130 N GLU A 19 0.667 -5.348 14.855 1.00 0.00 N ATOM 131 CA GLU A 19 0.689 -6.383 13.781 1.00 0.00 C ATOM 132 C GLU A 19 -0.535 -6.204 12.875 1.00 0.00 C ATOM 133 O GLU A 19 -0.537 -6.626 11.735 1.00 0.00 O ATOM 134 CB GLU A 19 0.675 -7.788 14.402 1.00 0.00 C ATOM 135 CG GLU A 19 1.544 -7.802 15.661 1.00 0.00 C ATOM 136 CD GLU A 19 2.167 -9.187 15.836 1.00 0.00 C ATOM 137 OE1 GLU A 19 1.560 -10.148 15.393 1.00 0.00 O ATOM 138 OE2 GLU A 19 3.241 -9.263 16.410 1.00 0.00 O ATOM 0 H GLU A 19 0.841 -5.697 15.798 1.00 0.00 H new ATOM 0 HA GLU A 19 1.598 -6.268 13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.346 -8.077 14.650 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.047 -8.518 13.683 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.326 -7.047 15.584 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.942 -7.550 16.534 1.00 0.00 H new ATOM 145 N GLY A 20 -1.575 -5.573 13.361 1.00 0.00 N ATOM 146 CA GLY A 20 -2.780 -5.367 12.509 1.00 0.00 C ATOM 147 C GLY A 20 -2.442 -4.357 11.410 1.00 0.00 C ATOM 148 O GLY A 20 -2.627 -4.612 10.237 1.00 0.00 O ATOM 0 H GLY A 20 -1.639 -5.195 14.306 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.096 -6.312 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.611 -5.003 13.113 1.00 0.00 H new ATOM 152 N LEU A 21 -1.936 -3.213 11.784 1.00 0.00 N ATOM 153 CA LEU A 21 -1.571 -2.187 10.769 1.00 0.00 C ATOM 154 C LEU A 21 -0.526 -2.770 9.820 1.00 0.00 C ATOM 155 O LEU A 21 -0.502 -2.461 8.647 1.00 0.00 O ATOM 156 CB LEU A 21 -0.998 -0.958 11.475 1.00 0.00 C ATOM 157 CG LEU A 21 -1.347 0.301 10.680 1.00 0.00 C ATOM 158 CD1 LEU A 21 -0.938 0.113 9.218 1.00 0.00 C ATOM 159 CD2 LEU A 21 -2.853 0.555 10.758 1.00 0.00 C ATOM 0 H LEU A 21 -1.760 -2.945 12.752 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.455 -1.897 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.401 -0.886 12.485 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.084 -1.052 11.570 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.813 1.153 11.100 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.187 1.011 8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.136 -0.066 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.471 -0.740 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.100 1.452 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.388 -0.298 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.146 0.691 11.799 1.00 0.00 H new ATOM 171 N GLN A 22 0.334 -3.622 10.312 1.00 0.00 N ATOM 172 CA GLN A 22 1.364 -4.226 9.422 1.00 0.00 C ATOM 173 C GLN A 22 0.660 -5.050 8.350 1.00 0.00 C ATOM 174 O GLN A 22 0.954 -4.943 7.175 1.00 0.00 O ATOM 175 CB GLN A 22 2.294 -5.124 10.241 1.00 0.00 C ATOM 176 CG GLN A 22 3.125 -4.261 11.195 1.00 0.00 C ATOM 177 CD GLN A 22 3.761 -5.149 12.266 1.00 0.00 C ATOM 178 OE1 GLN A 22 3.894 -6.342 12.082 1.00 0.00 O ATOM 179 NE2 GLN A 22 4.164 -4.613 13.386 1.00 0.00 N ATOM 0 H GLN A 22 0.367 -3.923 11.286 1.00 0.00 H new ATOM 0 HA GLN A 22 1.958 -3.441 8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.711 -5.851 10.806 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.950 -5.688 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.899 -3.731 10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.493 -3.506 11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.053 -3.611 13.541 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.590 -5.196 14.106 1.00 0.00 H new ATOM 188 N ARG A 23 -0.283 -5.857 8.742 1.00 0.00 N ATOM 189 CA ARG A 23 -1.028 -6.668 7.742 1.00 0.00 C ATOM 190 C ARG A 23 -1.793 -5.712 6.826 1.00 0.00 C ATOM 191 O ARG A 23 -2.218 -6.069 5.745 1.00 0.00 O ATOM 192 CB ARG A 23 -2.013 -7.592 8.459 1.00 0.00 C ATOM 193 CG ARG A 23 -1.562 -9.046 8.296 1.00 0.00 C ATOM 194 CD ARG A 23 -2.775 -9.925 7.985 1.00 0.00 C ATOM 195 NE ARG A 23 -3.139 -10.713 9.195 1.00 0.00 N ATOM 196 CZ ARG A 23 -3.637 -11.912 9.067 1.00 0.00 C ATOM 197 NH1 ARG A 23 -3.109 -12.751 8.221 1.00 0.00 N ATOM 198 NH2 ARG A 23 -4.665 -12.271 9.789 1.00 0.00 N ATOM 0 H ARG A 23 -0.570 -5.990 9.712 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.336 -7.276 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.067 -7.333 9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.014 -7.463 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.829 -9.123 7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.074 -9.391 9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.616 -9.306 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.549 -10.595 7.156 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.999 -10.315 10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.306 -12.470 7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.499 -13.688 8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.077 -11.614 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.055 -13.208 9.690 1.00 0.00 H new ATOM 212 N ALA A 24 -1.957 -4.490 7.257 1.00 0.00 N ATOM 213 CA ALA A 24 -2.678 -3.486 6.427 1.00 0.00 C ATOM 214 C ALA A 24 -1.764 -3.028 5.302 1.00 0.00 C ATOM 215 O ALA A 24 -2.112 -3.083 4.139 1.00 0.00 O ATOM 216 CB ALA A 24 -3.064 -2.286 7.295 1.00 0.00 C ATOM 0 H ALA A 24 -1.619 -4.143 8.155 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.581 -3.932 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.592 -1.552 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.712 -2.617 8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.164 -1.833 7.711 1.00 0.00 H new ATOM 222 N LEU A 25 -0.590 -2.582 5.639 1.00 0.00 N ATOM 223 CA LEU A 25 0.353 -2.127 4.603 1.00 0.00 C ATOM 224 C LEU A 25 0.649 -3.272 3.638 1.00 0.00 C ATOM 225 O LEU A 25 0.748 -3.083 2.449 1.00 0.00 O ATOM 226 CB LEU A 25 1.626 -1.691 5.309 1.00 0.00 C ATOM 227 CG LEU A 25 2.716 -1.383 4.280 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.353 -0.107 3.519 1.00 0.00 C ATOM 229 CD2 LEU A 25 4.052 -1.186 4.999 1.00 0.00 C ATOM 0 H LEU A 25 -0.247 -2.515 6.597 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.066 -1.300 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.430 -0.809 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.964 -2.476 5.985 1.00 0.00 H new ATOM 0 HG LEU A 25 2.799 -2.213 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.129 0.113 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.400 -0.247 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.270 0.724 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.830 -0.967 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.969 -0.356 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.311 -2.095 5.542 1.00 0.00 H new ATOM 241 N GLN A 26 0.801 -4.454 4.152 1.00 0.00 N ATOM 242 CA GLN A 26 1.110 -5.627 3.277 1.00 0.00 C ATOM 243 C GLN A 26 -0.099 -6.009 2.415 1.00 0.00 C ATOM 244 O GLN A 26 0.043 -6.396 1.271 1.00 0.00 O ATOM 245 CB GLN A 26 1.505 -6.818 4.152 1.00 0.00 C ATOM 246 CG GLN A 26 2.292 -7.829 3.313 1.00 0.00 C ATOM 247 CD GLN A 26 2.401 -9.151 4.076 1.00 0.00 C ATOM 248 OE1 GLN A 26 1.829 -9.303 5.135 1.00 0.00 O ATOM 249 NE2 GLN A 26 3.120 -10.120 3.576 1.00 0.00 N ATOM 0 H GLN A 26 0.725 -4.667 5.147 1.00 0.00 H new ATOM 0 HA GLN A 26 1.931 -5.356 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.109 -6.480 4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.614 -7.289 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.795 -7.989 2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.286 -7.440 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.601 -9.991 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.201 -11.005 4.076 1.00 0.00 H new ATOM 258 N PHE A 27 -1.277 -5.915 2.951 1.00 0.00 N ATOM 259 CA PHE A 27 -2.495 -6.282 2.173 1.00 0.00 C ATOM 260 C PHE A 27 -2.654 -5.351 0.978 1.00 0.00 C ATOM 261 O PHE A 27 -2.732 -5.767 -0.171 1.00 0.00 O ATOM 262 CB PHE A 27 -3.689 -6.116 3.099 1.00 0.00 C ATOM 263 CG PHE A 27 -4.982 -6.517 2.430 1.00 0.00 C ATOM 264 CD1 PHE A 27 -4.980 -7.173 1.194 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.197 -6.217 3.061 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.195 -7.529 0.593 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.407 -6.570 2.461 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.407 -7.226 1.227 1.00 0.00 C ATOM 0 H PHE A 27 -1.455 -5.597 3.904 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.418 -7.306 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.541 -6.720 3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.755 -5.077 3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.045 -7.404 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.197 -5.711 4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.197 -8.037 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.341 -6.337 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.342 -7.500 0.762 1.00 0.00 H new ATOM 278 N ALA A 28 -2.715 -4.093 1.250 1.00 0.00 N ATOM 279 CA ALA A 28 -2.892 -3.101 0.160 1.00 0.00 C ATOM 280 C ALA A 28 -1.702 -3.125 -0.796 1.00 0.00 C ATOM 281 O ALA A 28 -1.869 -3.187 -1.993 1.00 0.00 O ATOM 282 CB ALA A 28 -3.030 -1.711 0.757 1.00 0.00 C ATOM 0 H ALA A 28 -2.650 -3.698 2.188 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.792 -3.358 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.160 -0.983 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.897 -1.683 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.132 -1.469 1.326 1.00 0.00 H new ATOM 288 N ILE A 29 -0.506 -3.065 -0.291 1.00 0.00 N ATOM 289 CA ILE A 29 0.677 -3.084 -1.196 1.00 0.00 C ATOM 290 C ILE A 29 0.542 -4.254 -2.156 1.00 0.00 C ATOM 291 O ILE A 29 0.732 -4.123 -3.349 1.00 0.00 O ATOM 292 CB ILE A 29 1.939 -3.185 -0.343 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.927 -2.134 -0.806 1.00 0.00 C ATOM 294 CG2 ILE A 29 2.575 -4.567 -0.439 1.00 0.00 C ATOM 295 CD1 ILE A 29 2.204 -0.807 -0.818 1.00 0.00 C ATOM 0 H ILE A 29 -0.294 -3.004 0.705 1.00 0.00 H new ATOM 0 HA ILE A 29 0.739 -2.171 -1.789 1.00 0.00 H new ATOM 0 HB ILE A 29 1.666 -3.020 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.788 -2.096 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.305 -2.374 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.470 -4.599 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.866 -5.319 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.844 -4.772 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.887 -0.024 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.356 -0.861 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.847 -0.578 0.186 1.00 0.00 H new ATOM 307 N ALA A 30 0.187 -5.390 -1.647 1.00 0.00 N ATOM 308 CA ALA A 30 0.001 -6.557 -2.545 1.00 0.00 C ATOM 309 C ALA A 30 -0.893 -6.093 -3.690 1.00 0.00 C ATOM 310 O ALA A 30 -0.628 -6.341 -4.857 1.00 0.00 O ATOM 311 CB ALA A 30 -0.678 -7.697 -1.781 1.00 0.00 C ATOM 0 H ALA A 30 0.018 -5.564 -0.656 1.00 0.00 H new ATOM 0 HA ALA A 30 0.957 -6.923 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.812 -8.551 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.056 -7.989 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.650 -7.363 -1.418 1.00 0.00 H new ATOM 317 N GLU A 31 -1.944 -5.382 -3.361 1.00 0.00 N ATOM 318 CA GLU A 31 -2.842 -4.869 -4.428 1.00 0.00 C ATOM 319 C GLU A 31 -2.053 -3.946 -5.351 1.00 0.00 C ATOM 320 O GLU A 31 -2.248 -3.952 -6.543 1.00 0.00 O ATOM 321 CB GLU A 31 -4.014 -4.097 -3.822 1.00 0.00 C ATOM 322 CG GLU A 31 -5.055 -5.084 -3.289 1.00 0.00 C ATOM 323 CD GLU A 31 -4.581 -5.653 -1.950 1.00 0.00 C ATOM 324 OE1 GLU A 31 -4.890 -5.057 -0.932 1.00 0.00 O ATOM 325 OE2 GLU A 31 -3.918 -6.677 -1.966 1.00 0.00 O ATOM 0 H GLU A 31 -2.213 -5.139 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.235 -5.715 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.661 -3.454 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.464 -3.449 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.015 -4.584 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.207 -5.891 -4.006 1.00 0.00 H new ATOM 332 N TYR A 32 -1.164 -3.150 -4.820 1.00 0.00 N ATOM 333 CA TYR A 32 -0.372 -2.238 -5.699 1.00 0.00 C ATOM 334 C TYR A 32 0.320 -3.053 -6.797 1.00 0.00 C ATOM 335 O TYR A 32 0.221 -2.749 -7.969 1.00 0.00 O ATOM 336 CB TYR A 32 0.688 -1.532 -4.860 1.00 0.00 C ATOM 337 CG TYR A 32 1.308 -0.404 -5.626 1.00 0.00 C ATOM 338 CD1 TYR A 32 0.552 0.713 -5.984 1.00 0.00 C ATOM 339 CD2 TYR A 32 2.666 -0.460 -5.935 1.00 0.00 C ATOM 340 CE1 TYR A 32 1.156 1.766 -6.651 1.00 0.00 C ATOM 341 CE2 TYR A 32 3.274 0.590 -6.594 1.00 0.00 C ATOM 342 CZ TYR A 32 2.523 1.715 -6.959 1.00 0.00 C ATOM 343 OH TYR A 32 3.127 2.767 -7.619 1.00 0.00 O ATOM 0 H TYR A 32 -0.952 -3.091 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.037 -1.505 -6.155 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.238 -1.151 -3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.459 -2.244 -4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.500 0.756 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.245 -1.328 -5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.572 2.629 -6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.327 0.544 -6.828 1.00 0.00 H new ATOM 0 HH TYR A 32 4.047 2.523 -7.851 1.00 0.00 H new ATOM 353 N ASN A 33 1.035 -4.079 -6.421 1.00 0.00 N ATOM 354 CA ASN A 33 1.754 -4.911 -7.431 1.00 0.00 C ATOM 355 C ASN A 33 0.776 -5.465 -8.472 1.00 0.00 C ATOM 356 O ASN A 33 1.071 -5.502 -9.649 1.00 0.00 O ATOM 357 CB ASN A 33 2.450 -6.074 -6.723 1.00 0.00 C ATOM 358 CG ASN A 33 3.062 -7.011 -7.768 1.00 0.00 C ATOM 359 OD1 ASN A 33 4.201 -6.843 -8.158 1.00 0.00 O ATOM 360 ND2 ASN A 33 2.349 -7.999 -8.238 1.00 0.00 N ATOM 0 H ASN A 33 1.153 -4.379 -5.453 1.00 0.00 H new ATOM 0 HA ASN A 33 2.489 -4.287 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.226 -5.697 -6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.736 -6.618 -6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.748 -8.630 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.393 -8.139 -7.910 1.00 0.00 H new ATOM 367 N ARG A 34 -0.375 -5.920 -8.059 1.00 0.00 N ATOM 368 CA ARG A 34 -1.338 -6.488 -9.051 1.00 0.00 C ATOM 369 C ARG A 34 -2.136 -5.370 -9.736 1.00 0.00 C ATOM 370 O ARG A 34 -2.810 -5.594 -10.722 1.00 0.00 O ATOM 371 CB ARG A 34 -2.303 -7.436 -8.337 1.00 0.00 C ATOM 372 CG ARG A 34 -3.101 -6.656 -7.289 1.00 0.00 C ATOM 373 CD ARG A 34 -3.859 -7.633 -6.392 1.00 0.00 C ATOM 374 NE ARG A 34 -5.221 -7.097 -6.113 1.00 0.00 N ATOM 375 CZ ARG A 34 -6.114 -7.851 -5.531 1.00 0.00 C ATOM 376 NH1 ARG A 34 -5.748 -8.948 -4.929 1.00 0.00 N ATOM 377 NH2 ARG A 34 -7.373 -7.507 -5.555 1.00 0.00 N ATOM 0 H ARG A 34 -0.690 -5.925 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.776 -7.031 -9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.980 -7.894 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.749 -8.245 -7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.430 -6.041 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.800 -5.979 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.932 -8.607 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.317 -7.782 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.456 -6.140 -6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.764 -9.217 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.445 -9.537 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.659 -6.650 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.071 -8.096 -5.101 1.00 0.00 H new ATOM 391 N ALA A 35 -2.091 -4.182 -9.208 1.00 0.00 N ATOM 392 CA ALA A 35 -2.874 -3.060 -9.810 1.00 0.00 C ATOM 393 C ALA A 35 -2.050 -2.281 -10.843 1.00 0.00 C ATOM 394 O ALA A 35 -2.586 -1.496 -11.599 1.00 0.00 O ATOM 395 CB ALA A 35 -3.320 -2.107 -8.699 1.00 0.00 C ATOM 0 H ALA A 35 -1.545 -3.934 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.737 -3.486 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.892 -1.286 -9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.943 -2.646 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.444 -1.709 -8.188 1.00 0.00 H new ATOM 401 N SER A 36 -0.761 -2.460 -10.875 1.00 0.00 N ATOM 402 CA SER A 36 0.062 -1.692 -11.853 1.00 0.00 C ATOM 403 C SER A 36 0.142 -2.438 -13.189 1.00 0.00 C ATOM 404 O SER A 36 -0.342 -1.968 -14.198 1.00 0.00 O ATOM 405 CB SER A 36 1.469 -1.489 -11.285 1.00 0.00 C ATOM 406 OG SER A 36 2.416 -2.187 -12.081 1.00 0.00 O ATOM 0 H SER A 36 -0.243 -3.099 -10.272 1.00 0.00 H new ATOM 0 HA SER A 36 -0.406 -0.723 -12.026 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.712 -0.427 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.511 -1.847 -10.256 1.00 0.00 H new ATOM 0 HG SER A 36 2.443 -1.794 -12.978 1.00 0.00 H new ATOM 412 N ASN A 37 0.756 -3.589 -13.209 1.00 0.00 N ATOM 413 CA ASN A 37 0.867 -4.340 -14.492 1.00 0.00 C ATOM 414 C ASN A 37 0.901 -5.848 -14.227 1.00 0.00 C ATOM 415 O ASN A 37 0.343 -6.334 -13.264 1.00 0.00 O ATOM 416 CB ASN A 37 2.149 -3.923 -15.215 1.00 0.00 C ATOM 417 CG ASN A 37 2.210 -2.397 -15.310 1.00 0.00 C ATOM 418 OD1 ASN A 37 2.573 -1.731 -14.362 1.00 0.00 O ATOM 419 ND2 ASN A 37 1.867 -1.811 -16.424 1.00 0.00 N ATOM 0 H ASN A 37 1.183 -4.039 -12.399 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.000 -4.110 -15.111 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.020 -4.299 -14.679 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.175 -4.361 -16.213 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.904 -0.794 -16.498 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.562 -2.370 -17.221 1.00 0.00 H new ATOM 426 N ASP A 38 1.538 -6.588 -15.094 1.00 0.00 N ATOM 427 CA ASP A 38 1.609 -8.058 -14.937 1.00 0.00 C ATOM 428 C ASP A 38 2.519 -8.446 -13.765 1.00 0.00 C ATOM 429 O ASP A 38 2.104 -8.454 -12.624 1.00 0.00 O ATOM 430 CB ASP A 38 2.159 -8.618 -16.239 1.00 0.00 C ATOM 431 CG ASP A 38 2.335 -10.133 -16.119 1.00 0.00 C ATOM 432 OD1 ASP A 38 1.355 -10.803 -15.841 1.00 0.00 O ATOM 433 OD2 ASP A 38 3.448 -10.598 -16.308 1.00 0.00 O ATOM 0 H ASP A 38 2.019 -6.224 -15.917 1.00 0.00 H new ATOM 0 HA ASP A 38 0.620 -8.463 -14.721 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.481 -8.385 -17.060 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.115 -8.149 -16.472 1.00 0.00 H new ATOM 438 N LYS A 39 3.747 -8.793 -14.041 1.00 0.00 N ATOM 439 CA LYS A 39 4.670 -9.208 -12.946 1.00 0.00 C ATOM 440 C LYS A 39 5.508 -8.021 -12.469 1.00 0.00 C ATOM 441 O LYS A 39 5.196 -7.400 -11.473 1.00 0.00 O ATOM 442 CB LYS A 39 5.598 -10.310 -13.462 1.00 0.00 C ATOM 443 CG LYS A 39 4.769 -11.541 -13.833 1.00 0.00 C ATOM 444 CD LYS A 39 5.004 -12.647 -12.801 1.00 0.00 C ATOM 445 CE LYS A 39 4.739 -12.102 -11.396 1.00 0.00 C ATOM 446 NZ LYS A 39 3.269 -11.960 -11.186 1.00 0.00 N ATOM 0 H LYS A 39 4.151 -8.807 -14.977 1.00 0.00 H new ATOM 0 HA LYS A 39 4.079 -9.577 -12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.153 -9.956 -14.331 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.332 -10.569 -12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.711 -11.282 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.045 -11.892 -14.827 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.347 -13.493 -13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.028 -13.014 -12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.161 -12.774 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.230 -11.137 -11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.091 -11.542 -10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.871 -11.343 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.819 -12.896 -11.238 1.00 0.00 H new ATOM 460 N TYR A 40 6.569 -7.706 -13.174 1.00 0.00 N ATOM 461 CA TYR A 40 7.440 -6.575 -12.780 1.00 0.00 C ATOM 462 C TYR A 40 7.594 -6.537 -11.256 1.00 0.00 C ATOM 463 O TYR A 40 7.267 -7.480 -10.563 1.00 0.00 O ATOM 464 CB TYR A 40 6.820 -5.276 -13.307 1.00 0.00 C ATOM 465 CG TYR A 40 5.674 -4.858 -12.424 1.00 0.00 C ATOM 466 CD1 TYR A 40 4.384 -5.328 -12.688 1.00 0.00 C ATOM 467 CD2 TYR A 40 5.903 -4.001 -11.345 1.00 0.00 C ATOM 468 CE1 TYR A 40 3.322 -4.942 -11.868 1.00 0.00 C ATOM 469 CE2 TYR A 40 4.842 -3.613 -10.525 1.00 0.00 C ATOM 470 CZ TYR A 40 3.550 -4.083 -10.785 1.00 0.00 C ATOM 471 OH TYR A 40 2.499 -3.698 -9.977 1.00 0.00 O ATOM 0 H TYR A 40 6.865 -8.198 -14.017 1.00 0.00 H new ATOM 0 HA TYR A 40 8.435 -6.696 -13.209 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.574 -4.489 -13.336 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.469 -5.419 -14.329 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.209 -5.988 -13.525 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.901 -3.639 -11.145 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.325 -5.306 -12.069 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.018 -2.950 -9.690 1.00 0.00 H new ATOM 0 HH TYR A 40 1.720 -4.264 -10.161 1.00 0.00 H new ATOM 481 N SER A 41 8.118 -5.471 -10.727 1.00 0.00 N ATOM 482 CA SER A 41 8.305 -5.403 -9.241 1.00 0.00 C ATOM 483 C SER A 41 7.668 -4.127 -8.674 1.00 0.00 C ATOM 484 O SER A 41 7.698 -3.086 -9.290 1.00 0.00 O ATOM 485 CB SER A 41 9.800 -5.407 -8.919 1.00 0.00 C ATOM 486 OG SER A 41 10.144 -6.630 -8.284 1.00 0.00 O ATOM 0 H SER A 41 8.424 -4.648 -11.246 1.00 0.00 H new ATOM 0 HA SER A 41 7.822 -6.268 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.380 -5.284 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.045 -4.566 -8.270 1.00 0.00 H new ATOM 0 HG SER A 41 11.102 -6.634 -8.079 1.00 0.00 H new ATOM 492 N SER A 42 7.100 -4.195 -7.496 1.00 0.00 N ATOM 493 CA SER A 42 6.481 -2.973 -6.898 1.00 0.00 C ATOM 494 C SER A 42 6.825 -2.897 -5.405 1.00 0.00 C ATOM 495 O SER A 42 6.568 -3.820 -4.656 1.00 0.00 O ATOM 496 CB SER A 42 4.957 -3.020 -7.070 1.00 0.00 C ATOM 497 OG SER A 42 4.609 -4.103 -7.918 1.00 0.00 O ATOM 0 H SER A 42 7.038 -5.038 -6.926 1.00 0.00 H new ATOM 0 HA SER A 42 6.872 -2.092 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.474 -3.135 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.599 -2.082 -7.495 1.00 0.00 H new ATOM 0 HG SER A 42 4.182 -3.759 -8.730 1.00 0.00 H new ATOM 503 N ARG A 43 7.420 -1.816 -4.962 1.00 0.00 N ATOM 504 CA ARG A 43 7.791 -1.715 -3.514 1.00 0.00 C ATOM 505 C ARG A 43 7.481 -0.329 -2.938 1.00 0.00 C ATOM 506 O ARG A 43 6.525 0.311 -3.306 1.00 0.00 O ATOM 507 CB ARG A 43 9.283 -2.019 -3.366 1.00 0.00 C ATOM 508 CG ARG A 43 9.646 -3.219 -4.243 1.00 0.00 C ATOM 509 CD ARG A 43 10.718 -4.057 -3.545 1.00 0.00 C ATOM 510 NE ARG A 43 11.790 -3.161 -3.029 1.00 0.00 N ATOM 511 CZ ARG A 43 13.013 -3.605 -2.913 1.00 0.00 C ATOM 512 NH1 ARG A 43 13.731 -3.822 -3.981 1.00 0.00 N ATOM 513 NH2 ARG A 43 13.514 -3.833 -1.730 1.00 0.00 N ATOM 0 H ARG A 43 7.663 -1.006 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 43 7.196 -2.437 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.873 -1.150 -3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.521 -2.231 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.761 -3.826 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.010 -2.878 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.276 -4.623 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.139 -4.782 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 43 11.569 -2.201 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.337 -3.645 -4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.686 -4.169 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.951 -3.665 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.469 -4.180 -1.639 1.00 0.00 H new ATOM 527 N VAL A 44 8.267 0.079 -1.976 1.00 0.00 N ATOM 528 CA VAL A 44 8.052 1.382 -1.257 1.00 0.00 C ATOM 529 C VAL A 44 8.544 2.604 -2.069 1.00 0.00 C ATOM 530 O VAL A 44 9.058 2.471 -3.160 1.00 0.00 O ATOM 531 CB VAL A 44 8.766 1.254 0.092 1.00 0.00 C ATOM 532 CG1 VAL A 44 9.389 2.575 0.553 1.00 0.00 C ATOM 533 CG2 VAL A 44 7.758 0.763 1.136 1.00 0.00 C ATOM 0 H VAL A 44 9.074 -0.449 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 44 6.987 1.566 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 44 9.583 0.542 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.882 2.429 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.120 2.909 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.608 3.329 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.253 0.667 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.940 1.479 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.363 -0.207 0.833 1.00 0.00 H new ATOM 543 N VAL A 45 8.343 3.800 -1.533 1.00 0.00 N ATOM 544 CA VAL A 45 8.739 5.056 -2.250 1.00 0.00 C ATOM 545 C VAL A 45 8.481 6.302 -1.361 1.00 0.00 C ATOM 546 O VAL A 45 9.403 6.967 -0.937 1.00 0.00 O ATOM 547 CB VAL A 45 7.915 5.083 -3.535 1.00 0.00 C ATOM 548 CG1 VAL A 45 7.201 6.387 -3.811 1.00 0.00 C ATOM 549 CG2 VAL A 45 8.825 4.870 -4.697 1.00 0.00 C ATOM 0 H VAL A 45 7.916 3.952 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 45 9.804 5.075 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 45 7.164 4.305 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.644 6.306 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.512 6.604 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.932 7.192 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.246 4.887 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.574 5.662 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.321 3.905 -4.598 1.00 0.00 H new ATOM 559 N ARG A 46 7.239 6.607 -1.068 1.00 0.00 N ATOM 560 CA ARG A 46 6.923 7.793 -0.191 1.00 0.00 C ATOM 561 C ARG A 46 5.676 7.519 0.689 1.00 0.00 C ATOM 562 O ARG A 46 4.562 7.490 0.207 1.00 0.00 O ATOM 563 CB ARG A 46 6.659 9.015 -1.073 1.00 0.00 C ATOM 564 CG ARG A 46 6.857 10.289 -0.248 1.00 0.00 C ATOM 565 CD ARG A 46 5.931 11.386 -0.774 1.00 0.00 C ATOM 566 NE ARG A 46 6.343 12.700 -0.202 1.00 0.00 N ATOM 567 CZ ARG A 46 5.948 13.809 -0.763 1.00 0.00 C ATOM 568 NH1 ARG A 46 4.680 14.007 -0.996 1.00 0.00 N ATOM 569 NH2 ARG A 46 6.823 14.721 -1.089 1.00 0.00 N ATOM 0 H ARG A 46 6.425 6.088 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 46 7.775 7.975 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.335 9.013 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.644 8.979 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.644 10.091 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.895 10.616 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.973 11.422 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.898 11.167 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 46 6.934 12.731 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.997 13.294 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.371 14.875 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.814 14.566 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.516 15.589 -1.528 1.00 0.00 H new ATOM 583 N VAL A 47 5.864 7.318 1.984 1.00 0.00 N ATOM 584 CA VAL A 47 4.708 7.042 2.917 1.00 0.00 C ATOM 585 C VAL A 47 4.292 8.359 3.595 1.00 0.00 C ATOM 586 O VAL A 47 5.124 9.210 3.840 1.00 0.00 O ATOM 587 CB VAL A 47 5.150 6.015 3.961 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.557 6.337 5.336 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.670 4.626 3.533 1.00 0.00 C ATOM 0 H VAL A 47 6.778 7.334 2.437 1.00 0.00 H new ATOM 0 HA VAL A 47 3.856 6.643 2.367 1.00 0.00 H new ATOM 0 HB VAL A 47 6.237 6.043 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.888 5.591 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.892 7.324 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.469 6.325 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.982 3.889 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.583 4.625 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.103 4.374 2.565 1.00 0.00 H new ATOM 599 N ILE A 48 3.027 8.563 3.893 1.00 0.00 N ATOM 600 CA ILE A 48 2.649 9.843 4.526 1.00 0.00 C ATOM 601 C ILE A 48 1.776 9.611 5.774 1.00 0.00 C ATOM 602 O ILE A 48 1.511 10.538 6.512 1.00 0.00 O ATOM 603 CB ILE A 48 1.877 10.654 3.495 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.849 11.232 2.465 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.112 11.793 4.175 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.536 10.634 1.088 1.00 0.00 C ATOM 0 H ILE A 48 2.265 7.907 3.725 1.00 0.00 H new ATOM 0 HA ILE A 48 3.545 10.373 4.850 1.00 0.00 H new ATOM 0 HB ILE A 48 1.162 9.999 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.760 12.318 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.877 11.005 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.565 12.363 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.410 11.379 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.816 12.449 4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.225 11.042 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.647 9.550 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.513 10.884 0.807 1.00 0.00 H new ATOM 618 N SER A 49 1.316 8.407 6.038 1.00 0.00 N ATOM 619 CA SER A 49 0.471 8.233 7.261 1.00 0.00 C ATOM 620 C SER A 49 -0.009 6.791 7.434 1.00 0.00 C ATOM 621 O SER A 49 0.123 5.955 6.568 1.00 0.00 O ATOM 622 CB SER A 49 -0.748 9.152 7.158 1.00 0.00 C ATOM 623 OG SER A 49 -0.559 10.285 7.993 1.00 0.00 O ATOM 0 H SER A 49 1.482 7.568 5.482 1.00 0.00 H new ATOM 0 HA SER A 49 1.083 8.486 8.126 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.892 9.468 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.648 8.614 7.455 1.00 0.00 H new ATOM 0 HG SER A 49 0.165 10.839 7.634 1.00 0.00 H new ATOM 629 N ALA A 50 -0.571 6.526 8.580 1.00 0.00 N ATOM 630 CA ALA A 50 -1.101 5.168 8.911 1.00 0.00 C ATOM 631 C ALA A 50 -1.934 5.298 10.195 1.00 0.00 C ATOM 632 O ALA A 50 -1.393 5.487 11.267 1.00 0.00 O ATOM 633 CB ALA A 50 0.064 4.203 9.149 1.00 0.00 C ATOM 0 H ALA A 50 -0.689 7.213 9.324 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.710 4.782 8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.326 3.214 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.676 4.142 8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.673 4.565 9.978 1.00 0.00 H new ATOM 639 N LYS A 51 -3.240 5.233 10.107 1.00 0.00 N ATOM 640 CA LYS A 51 -4.064 5.392 11.340 1.00 0.00 C ATOM 641 C LYS A 51 -5.264 4.450 11.314 1.00 0.00 C ATOM 642 O LYS A 51 -5.665 3.950 10.278 1.00 0.00 O ATOM 643 CB LYS A 51 -4.559 6.837 11.431 1.00 0.00 C ATOM 644 CG LYS A 51 -3.440 7.787 10.997 1.00 0.00 C ATOM 645 CD LYS A 51 -3.601 9.127 11.718 1.00 0.00 C ATOM 646 CE LYS A 51 -2.979 10.239 10.873 1.00 0.00 C ATOM 647 NZ LYS A 51 -1.538 10.385 11.226 1.00 0.00 N ATOM 0 H LYS A 51 -3.764 5.079 9.245 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.448 5.149 12.206 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.434 6.974 10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.868 7.064 12.452 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.468 7.351 11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.473 7.936 9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.657 9.334 11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.120 9.086 12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.083 10.006 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.504 11.179 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.115 11.141 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.450 10.626 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.042 9.490 11.039 1.00 0.00 H new ATOM 661 N ARG A 52 -5.837 4.212 12.461 1.00 0.00 N ATOM 662 CA ARG A 52 -7.016 3.300 12.542 1.00 0.00 C ATOM 663 C ARG A 52 -8.210 4.028 13.169 1.00 0.00 C ATOM 664 O ARG A 52 -8.383 4.017 14.372 1.00 0.00 O ATOM 665 CB ARG A 52 -6.681 2.090 13.439 1.00 0.00 C ATOM 666 CG ARG A 52 -5.644 2.501 14.486 1.00 0.00 C ATOM 667 CD ARG A 52 -5.137 1.257 15.219 1.00 0.00 C ATOM 668 NE ARG A 52 -6.269 0.609 15.939 1.00 0.00 N ATOM 669 CZ ARG A 52 -6.047 -0.420 16.710 1.00 0.00 C ATOM 670 NH1 ARG A 52 -5.528 -0.247 17.895 1.00 0.00 N ATOM 671 NH2 ARG A 52 -6.346 -1.621 16.298 1.00 0.00 N ATOM 0 H ARG A 52 -5.539 4.611 13.351 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.262 2.974 11.531 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.584 1.727 13.930 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.296 1.270 12.833 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.813 3.017 14.006 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.086 3.200 15.196 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.696 0.558 14.509 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.353 1.532 15.925 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.217 0.969 15.829 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.296 0.692 18.218 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.354 -1.051 18.498 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.754 -1.756 15.373 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.172 -2.425 16.901 1.00 0.00 H new ATOM 685 N GLN A 53 -9.058 4.635 12.379 1.00 0.00 N ATOM 686 CA GLN A 53 -10.243 5.314 12.971 1.00 0.00 C ATOM 687 C GLN A 53 -11.032 4.272 13.767 1.00 0.00 C ATOM 688 O GLN A 53 -10.909 3.086 13.526 1.00 0.00 O ATOM 689 CB GLN A 53 -11.125 5.894 11.862 1.00 0.00 C ATOM 690 CG GLN A 53 -11.116 7.421 11.949 1.00 0.00 C ATOM 691 CD GLN A 53 -12.532 7.955 11.721 1.00 0.00 C ATOM 692 OE1 GLN A 53 -13.342 7.311 11.085 1.00 0.00 O ATOM 693 NE2 GLN A 53 -12.866 9.114 12.219 1.00 0.00 N ATOM 0 H GLN A 53 -8.981 4.689 11.363 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.925 6.131 13.619 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.760 5.573 10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.144 5.520 11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.750 7.738 12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.436 7.834 11.204 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.186 9.655 12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.807 9.479 12.074 1.00 0.00 H new ATOM 702 N LEU A 54 -11.821 4.684 14.722 1.00 0.00 N ATOM 703 CA LEU A 54 -12.578 3.680 15.526 1.00 0.00 C ATOM 704 C LEU A 54 -14.087 3.938 15.455 1.00 0.00 C ATOM 705 O LEU A 54 -14.620 4.782 16.147 1.00 0.00 O ATOM 706 CB LEU A 54 -12.119 3.752 16.983 1.00 0.00 C ATOM 707 CG LEU A 54 -11.235 2.544 17.302 1.00 0.00 C ATOM 708 CD1 LEU A 54 -9.803 3.015 17.564 1.00 0.00 C ATOM 709 CD2 LEU A 54 -11.774 1.832 18.543 1.00 0.00 C ATOM 0 H LEU A 54 -11.974 5.659 14.979 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.380 2.690 15.116 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.567 4.676 17.156 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.983 3.769 17.647 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.241 1.855 16.457 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.173 2.155 17.791 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.419 3.522 16.679 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.795 3.704 18.409 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.145 0.972 18.771 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.768 2.520 19.389 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.794 1.496 18.356 1.00 0.00 H new ATOM 721 N VAL A 55 -14.778 3.188 14.641 1.00 0.00 N ATOM 722 CA VAL A 55 -16.256 3.339 14.527 1.00 0.00 C ATOM 723 C VAL A 55 -16.878 1.955 14.753 1.00 0.00 C ATOM 724 O VAL A 55 -17.591 1.452 13.911 1.00 0.00 O ATOM 725 CB VAL A 55 -16.598 3.821 13.131 1.00 0.00 C ATOM 726 CG1 VAL A 55 -17.955 4.531 13.149 1.00 0.00 C ATOM 727 CG2 VAL A 55 -15.518 4.787 12.638 1.00 0.00 C ATOM 0 H VAL A 55 -14.375 2.467 14.042 1.00 0.00 H new ATOM 0 HA VAL A 55 -16.633 4.056 15.256 1.00 0.00 H new ATOM 0 HB VAL A 55 -16.648 2.965 12.458 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.198 4.876 12.144 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.724 3.838 13.490 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.910 5.385 13.825 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.768 5.131 11.634 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.461 5.643 13.311 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.555 4.276 12.617 1.00 0.00 H new ATOM 737 N SER A 56 -16.547 1.316 15.859 1.00 0.00 N ATOM 738 CA SER A 56 -17.035 -0.071 16.138 1.00 0.00 C ATOM 739 C SER A 56 -15.993 -1.001 15.546 1.00 0.00 C ATOM 740 O SER A 56 -15.438 -1.857 16.203 1.00 0.00 O ATOM 741 CB SER A 56 -18.394 -0.346 15.487 1.00 0.00 C ATOM 742 OG SER A 56 -18.202 -0.753 14.140 1.00 0.00 O ATOM 0 H SER A 56 -15.950 1.708 16.587 1.00 0.00 H new ATOM 0 HA SER A 56 -17.170 -0.215 17.210 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.923 -1.122 16.040 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.014 0.550 15.522 1.00 0.00 H new ATOM 0 HG SER A 56 -18.256 0.029 13.551 1.00 0.00 H new ATOM 748 N GLY A 57 -15.693 -0.775 14.309 1.00 0.00 N ATOM 749 CA GLY A 57 -14.646 -1.558 13.612 1.00 0.00 C ATOM 750 C GLY A 57 -13.545 -0.550 13.245 1.00 0.00 C ATOM 751 O GLY A 57 -13.823 0.631 13.124 1.00 0.00 O ATOM 0 H GLY A 57 -16.141 -0.061 13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.255 -2.347 14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.047 -2.041 12.721 1.00 0.00 H new ATOM 755 N ILE A 58 -12.310 -0.952 13.085 1.00 0.00 N ATOM 756 CA ILE A 58 -11.282 0.069 12.753 1.00 0.00 C ATOM 757 C ILE A 58 -11.330 0.414 11.275 1.00 0.00 C ATOM 758 O ILE A 58 -11.731 -0.367 10.448 1.00 0.00 O ATOM 759 CB ILE A 58 -9.886 -0.472 13.047 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.698 -0.592 14.546 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.826 0.470 12.476 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.980 -2.029 14.930 1.00 0.00 C ATOM 0 H ILE A 58 -11.979 -1.913 13.167 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.490 0.952 13.357 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.779 -1.452 12.582 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.683 -0.313 14.828 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.372 0.084 15.072 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.833 0.074 12.692 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.957 0.554 11.397 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.931 1.455 12.932 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.853 -2.150 16.006 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.003 -2.285 14.654 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.287 -2.688 14.407 1.00 0.00 H new ATOM 774 N LYS A 59 -10.837 1.561 10.947 1.00 0.00 N ATOM 775 CA LYS A 59 -10.736 1.956 9.527 1.00 0.00 C ATOM 776 C LYS A 59 -9.276 2.282 9.341 1.00 0.00 C ATOM 777 O LYS A 59 -8.692 3.024 10.095 1.00 0.00 O ATOM 778 CB LYS A 59 -11.594 3.172 9.205 1.00 0.00 C ATOM 779 CG LYS A 59 -12.713 3.306 10.241 1.00 0.00 C ATOM 780 CD LYS A 59 -13.967 3.868 9.570 1.00 0.00 C ATOM 781 CE LYS A 59 -13.701 5.301 9.107 1.00 0.00 C ATOM 782 NZ LYS A 59 -13.503 5.317 7.631 1.00 0.00 N ATOM 0 H LYS A 59 -10.494 2.254 11.612 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.092 1.166 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.979 4.072 9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.020 3.074 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.930 2.334 10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.396 3.963 11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.247 3.246 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.804 3.850 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.538 5.944 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.818 5.698 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.643 6.283 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.538 5.001 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.190 4.678 7.182 1.00 0.00 H new ATOM 796 N TYR A 60 -8.677 1.691 8.386 1.00 0.00 N ATOM 797 CA TYR A 60 -7.225 1.910 8.192 1.00 0.00 C ATOM 798 C TYR A 60 -6.994 2.975 7.139 1.00 0.00 C ATOM 799 O TYR A 60 -6.945 2.684 5.965 1.00 0.00 O ATOM 800 CB TYR A 60 -6.571 0.608 7.742 1.00 0.00 C ATOM 801 CG TYR A 60 -6.326 -0.332 8.921 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.058 0.164 10.212 1.00 0.00 C ATOM 803 CD2 TYR A 60 -6.356 -1.722 8.713 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.828 -0.725 11.272 1.00 0.00 C ATOM 805 CE2 TYR A 60 -6.123 -2.601 9.776 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.859 -2.103 11.053 1.00 0.00 C ATOM 807 OH TYR A 60 -5.629 -2.973 12.099 1.00 0.00 O ATOM 0 H TYR A 60 -9.119 1.059 7.718 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.787 2.238 9.135 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.208 0.114 7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.625 0.827 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.030 1.230 10.386 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.560 -2.113 7.727 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.626 -0.342 12.261 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.147 -3.668 9.608 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.688 -3.896 11.776 1.00 0.00 H new ATOM 817 N ILE A 61 -6.809 4.201 7.537 1.00 0.00 N ATOM 818 CA ILE A 61 -6.543 5.242 6.527 1.00 0.00 C ATOM 819 C ILE A 61 -5.039 5.329 6.404 1.00 0.00 C ATOM 820 O ILE A 61 -4.336 5.563 7.364 1.00 0.00 O ATOM 821 CB ILE A 61 -7.061 6.582 6.981 1.00 0.00 C ATOM 822 CG1 ILE A 61 -8.106 6.413 8.088 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.677 7.328 5.796 1.00 0.00 C ATOM 824 CD1 ILE A 61 -9.181 5.426 7.631 1.00 0.00 C ATOM 0 H ILE A 61 -6.831 4.518 8.506 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.033 4.991 5.586 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.226 7.159 7.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.630 6.052 9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.559 7.376 8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.050 8.296 6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.920 7.477 5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.501 6.743 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.924 5.306 8.419 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.665 5.806 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.721 4.461 7.416 1.00 0.00 H new ATOM 836 N LEU A 62 -4.540 5.053 5.268 1.00 0.00 N ATOM 837 CA LEU A 62 -3.106 5.005 5.085 1.00 0.00 C ATOM 838 C LEU A 62 -2.638 5.823 3.894 1.00 0.00 C ATOM 839 O LEU A 62 -3.269 5.866 2.860 1.00 0.00 O ATOM 840 CB LEU A 62 -2.867 3.570 4.771 1.00 0.00 C ATOM 841 CG LEU A 62 -1.578 3.077 5.363 1.00 0.00 C ATOM 842 CD1 LEU A 62 -1.553 1.578 5.202 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.435 3.667 4.592 1.00 0.00 C ATOM 0 H LEU A 62 -5.087 4.852 4.431 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.582 5.398 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.694 2.972 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.846 3.433 3.690 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.496 3.359 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.628 1.182 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.404 1.142 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.608 1.325 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.507 3.316 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.503 3.360 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.477 4.754 4.654 1.00 0.00 H new ATOM 855 N GLN A 63 -1.470 6.358 3.990 1.00 0.00 N ATOM 856 CA GLN A 63 -0.873 7.022 2.846 1.00 0.00 C ATOM 857 C GLN A 63 0.244 6.091 2.555 1.00 0.00 C ATOM 858 O GLN A 63 0.719 5.428 3.446 1.00 0.00 O ATOM 859 CB GLN A 63 -0.334 8.374 3.185 1.00 0.00 C ATOM 860 CG GLN A 63 -1.408 9.214 3.877 1.00 0.00 C ATOM 861 CD GLN A 63 -2.433 9.684 2.842 1.00 0.00 C ATOM 862 OE1 GLN A 63 -2.615 9.055 1.820 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.117 10.773 3.068 1.00 0.00 N ATOM 0 H GLN A 63 -0.900 6.358 4.836 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.573 7.202 2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.535 8.274 3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.003 8.877 2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.901 8.627 4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.952 10.073 4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.965 11.302 3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.804 11.095 2.386 1.00 0.00 H new ATOM 872 N VAL A 64 0.678 5.977 1.380 1.00 0.00 N ATOM 873 CA VAL A 64 1.741 4.966 1.205 1.00 0.00 C ATOM 874 C VAL A 64 2.778 5.366 0.215 1.00 0.00 C ATOM 875 O VAL A 64 2.682 6.333 -0.512 1.00 0.00 O ATOM 876 CB VAL A 64 1.160 3.559 0.838 1.00 0.00 C ATOM 877 CG1 VAL A 64 -0.227 3.350 1.453 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.057 3.420 -0.670 1.00 0.00 C ATOM 0 H VAL A 64 0.379 6.498 0.555 1.00 0.00 H new ATOM 0 HA VAL A 64 2.231 4.898 2.176 1.00 0.00 H new ATOM 0 HB VAL A 64 1.837 2.805 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.602 2.364 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.159 3.423 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.909 4.114 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.652 2.439 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.398 4.194 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.047 3.527 -1.114 1.00 0.00 H new ATOM 888 N GLU A 65 3.807 4.609 0.269 1.00 0.00 N ATOM 889 CA GLU A 65 4.969 4.840 -0.537 1.00 0.00 C ATOM 890 C GLU A 65 5.121 3.742 -1.579 1.00 0.00 C ATOM 891 O GLU A 65 5.221 2.581 -1.232 1.00 0.00 O ATOM 892 CB GLU A 65 6.139 4.754 0.466 1.00 0.00 C ATOM 893 CG GLU A 65 6.267 3.311 0.965 1.00 0.00 C ATOM 894 CD GLU A 65 6.854 3.310 2.378 1.00 0.00 C ATOM 895 OE1 GLU A 65 7.626 4.205 2.678 1.00 0.00 O ATOM 896 OE2 GLU A 65 6.522 2.411 3.135 1.00 0.00 O ATOM 0 H GLU A 65 3.879 3.796 0.880 1.00 0.00 H new ATOM 0 HA GLU A 65 4.921 5.789 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.067 5.071 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.965 5.428 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.290 2.827 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.907 2.738 0.294 1.00 0.00 H new ATOM 903 N ILE A 66 5.157 4.046 -2.850 1.00 0.00 N ATOM 904 CA ILE A 66 5.325 2.936 -3.774 1.00 0.00 C ATOM 905 C ILE A 66 6.153 3.266 -5.005 1.00 0.00 C ATOM 906 O ILE A 66 5.848 4.118 -5.825 1.00 0.00 O ATOM 907 CB ILE A 66 3.993 2.368 -4.196 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.831 3.194 -3.632 1.00 0.00 C ATOM 909 CG2 ILE A 66 3.896 0.926 -3.684 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.540 2.369 -3.687 1.00 0.00 C ATOM 0 H ILE A 66 5.080 4.978 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 66 5.886 2.189 -3.212 1.00 0.00 H new ATOM 0 HB ILE A 66 3.924 2.396 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.044 3.486 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.712 4.113 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.938 0.498 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.705 0.333 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.976 0.920 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.715 2.957 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.324 2.099 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.662 1.463 -3.094 1.00 0.00 H new ATOM 922 N GLY A 67 7.190 2.501 -5.094 1.00 0.00 N ATOM 923 CA GLY A 67 8.150 2.525 -6.194 1.00 0.00 C ATOM 924 C GLY A 67 7.690 1.423 -7.152 1.00 0.00 C ATOM 925 O GLY A 67 6.842 0.624 -6.798 1.00 0.00 O ATOM 0 H GLY A 67 7.418 1.807 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.159 3.497 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.163 2.339 -5.837 1.00 0.00 H new ATOM 929 N ARG A 68 8.232 1.322 -8.327 1.00 0.00 N ATOM 930 CA ARG A 68 7.787 0.239 -9.224 1.00 0.00 C ATOM 931 C ARG A 68 8.866 0.059 -10.227 1.00 0.00 C ATOM 932 O ARG A 68 9.718 0.909 -10.395 1.00 0.00 O ATOM 933 CB ARG A 68 6.476 0.566 -9.926 1.00 0.00 C ATOM 934 CG ARG A 68 5.689 -0.728 -10.128 1.00 0.00 C ATOM 935 CD ARG A 68 4.252 -0.394 -10.527 1.00 0.00 C ATOM 936 NE ARG A 68 4.248 0.265 -11.862 1.00 0.00 N ATOM 937 CZ ARG A 68 3.802 1.485 -11.985 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.826 1.901 -11.227 1.00 0.00 N ATOM 939 NH2 ARG A 68 4.333 2.289 -12.866 1.00 0.00 N ATOM 0 H ARG A 68 8.956 1.937 -8.699 1.00 0.00 H new ATOM 0 HA ARG A 68 7.604 -0.666 -8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.896 1.272 -9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.671 1.043 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.160 -1.336 -10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.695 -1.317 -9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.651 -1.303 -10.556 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.800 0.263 -9.784 1.00 0.00 H new ATOM 0 HE ARG A 68 4.594 -0.237 -12.680 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.412 1.273 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.477 2.855 -11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.097 1.963 -13.458 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.984 3.243 -12.962 1.00 0.00 H new ATOM 953 N THR A 69 8.903 -1.050 -10.856 1.00 0.00 N ATOM 954 CA THR A 69 9.986 -1.269 -11.764 1.00 0.00 C ATOM 955 C THR A 69 9.518 -2.225 -12.847 1.00 0.00 C ATOM 956 O THR A 69 9.690 -3.423 -12.755 1.00 0.00 O ATOM 957 CB THR A 69 11.152 -1.812 -10.947 1.00 0.00 C ATOM 958 OG1 THR A 69 11.172 -3.231 -10.999 1.00 0.00 O ATOM 959 CG2 THR A 69 11.031 -1.337 -9.477 1.00 0.00 C ATOM 0 H THR A 69 8.225 -1.807 -10.773 1.00 0.00 H new ATOM 0 HA THR A 69 10.314 -0.358 -12.265 1.00 0.00 H new ATOM 0 HB THR A 69 12.083 -1.434 -11.369 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.287 -3.561 -11.259 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.867 -1.729 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.045 -0.248 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.095 -1.700 -9.053 1.00 0.00 H new ATOM 967 N THR A 70 8.876 -1.677 -13.849 1.00 0.00 N ATOM 968 CA THR A 70 8.322 -2.512 -14.968 1.00 0.00 C ATOM 969 C THR A 70 9.243 -3.712 -15.263 1.00 0.00 C ATOM 970 O THR A 70 9.256 -4.677 -14.527 1.00 0.00 O ATOM 971 CB THR A 70 8.141 -1.652 -16.234 1.00 0.00 C ATOM 972 OG1 THR A 70 7.952 -2.501 -17.355 1.00 0.00 O ATOM 973 CG2 THR A 70 9.366 -0.758 -16.479 1.00 0.00 C ATOM 0 H THR A 70 8.709 -0.675 -13.943 1.00 0.00 H new ATOM 0 HA THR A 70 7.349 -2.896 -14.661 1.00 0.00 H new ATOM 0 HB THR A 70 7.270 -1.012 -16.091 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.835 -1.957 -18.162 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.208 -0.163 -17.379 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.509 -0.094 -15.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.251 -1.381 -16.606 1.00 0.00 H new ATOM 1125 N GLU A 82 13.177 -0.135 -13.965 1.00 0.00 N ATOM 1126 CA GLU A 82 12.617 0.756 -12.910 1.00 0.00 C ATOM 1127 C GLU A 82 11.181 1.134 -13.263 1.00 0.00 C ATOM 1128 O GLU A 82 10.623 0.672 -14.245 1.00 0.00 O ATOM 1129 CB GLU A 82 13.469 2.022 -12.813 1.00 0.00 C ATOM 1130 CG GLU A 82 14.129 2.088 -11.435 1.00 0.00 C ATOM 1131 CD GLU A 82 14.820 3.442 -11.264 1.00 0.00 C ATOM 1132 OE1 GLU A 82 14.650 4.285 -12.130 1.00 0.00 O ATOM 1133 OE2 GLU A 82 15.507 3.613 -10.270 1.00 0.00 O ATOM 0 HA GLU A 82 12.626 0.234 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.230 2.021 -13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.849 2.904 -12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.381 1.949 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 82 14.855 1.282 -11.329 1.00 0.00 H new ATOM 1140 N PHE A 83 10.565 1.940 -12.431 1.00 0.00 N ATOM 1141 CA PHE A 83 9.146 2.362 -12.678 1.00 0.00 C ATOM 1142 C PHE A 83 8.945 2.493 -14.196 1.00 0.00 C ATOM 1143 O PHE A 83 7.913 2.146 -14.735 1.00 0.00 O ATOM 1144 CB PHE A 83 8.903 3.730 -12.053 1.00 0.00 C ATOM 1145 CG PHE A 83 7.931 3.710 -10.882 1.00 0.00 C ATOM 1146 CD1 PHE A 83 6.592 3.303 -11.034 1.00 0.00 C ATOM 1147 CD2 PHE A 83 8.363 4.177 -9.640 1.00 0.00 C ATOM 1148 CE1 PHE A 83 5.706 3.363 -9.945 1.00 0.00 C ATOM 1149 CE2 PHE A 83 7.487 4.226 -8.574 1.00 0.00 C ATOM 1150 CZ PHE A 83 6.171 3.832 -8.702 1.00 0.00 C ATOM 0 H PHE A 83 10.986 2.327 -11.586 1.00 0.00 H new ATOM 0 HA PHE A 83 8.463 1.630 -12.247 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.855 4.138 -11.715 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.520 4.405 -12.818 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.244 2.943 -11.991 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.385 4.501 -9.512 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.678 3.052 -10.061 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.840 4.581 -7.617 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.503 3.883 -7.855 1.00 0.00 H new ATOM 1160 N HIS A 84 9.957 2.987 -14.890 1.00 0.00 N ATOM 1161 CA HIS A 84 9.860 3.134 -16.370 1.00 0.00 C ATOM 1162 C HIS A 84 11.258 3.102 -16.998 1.00 0.00 C ATOM 1163 O HIS A 84 11.597 3.894 -17.854 1.00 0.00 O ATOM 1164 CB HIS A 84 9.162 4.439 -16.722 1.00 0.00 C ATOM 1165 CG HIS A 84 7.754 4.153 -17.169 1.00 0.00 C ATOM 1166 ND1 HIS A 84 7.389 4.136 -18.505 1.00 0.00 N ATOM 1167 CD2 HIS A 84 6.607 3.875 -16.465 1.00 0.00 C ATOM 1168 CE1 HIS A 84 6.075 3.856 -18.565 1.00 0.00 C ATOM 1169 NE2 HIS A 84 5.548 3.687 -17.348 1.00 0.00 N ATOM 0 H HIS A 84 10.842 3.292 -14.485 1.00 0.00 H new ATOM 0 HA HIS A 84 9.277 2.303 -16.766 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.152 5.103 -15.857 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.708 4.954 -17.513 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.538 3.812 -15.389 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.514 3.777 -19.484 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.579 3.468 -17.117 1.00 0.00 H new ATOM 1177 N ASP A 85 12.045 2.149 -16.594 1.00 0.00 N ATOM 1178 CA ASP A 85 13.422 1.973 -17.161 1.00 0.00 C ATOM 1179 C ASP A 85 14.266 3.259 -17.079 1.00 0.00 C ATOM 1180 O ASP A 85 14.941 3.609 -18.027 1.00 0.00 O ATOM 1181 CB ASP A 85 13.302 1.558 -18.629 1.00 0.00 C ATOM 1182 CG ASP A 85 14.699 1.331 -19.209 1.00 0.00 C ATOM 1183 OD1 ASP A 85 15.631 1.223 -18.431 1.00 0.00 O ATOM 1184 OD2 ASP A 85 14.812 1.268 -20.423 1.00 0.00 O ATOM 0 H ASP A 85 11.793 1.466 -15.879 1.00 0.00 H new ATOM 0 HA ASP A 85 13.926 1.209 -16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.709 0.647 -18.714 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.782 2.331 -19.195 1.00 0.00 H new ATOM 1189 N GLU A 86 14.260 3.948 -15.964 1.00 0.00 N ATOM 1190 CA GLU A 86 15.095 5.196 -15.841 1.00 0.00 C ATOM 1191 C GLU A 86 14.522 6.089 -14.744 1.00 0.00 C ATOM 1192 O GLU A 86 13.381 5.948 -14.397 1.00 0.00 O ATOM 1193 CB GLU A 86 15.082 5.967 -17.165 1.00 0.00 C ATOM 1194 CG GLU A 86 16.401 5.733 -17.903 1.00 0.00 C ATOM 1195 CD GLU A 86 16.152 5.739 -19.412 1.00 0.00 C ATOM 1196 OE1 GLU A 86 15.046 6.073 -19.808 1.00 0.00 O ATOM 1197 OE2 GLU A 86 17.069 5.411 -20.146 1.00 0.00 O ATOM 0 H GLU A 86 13.718 3.706 -15.135 1.00 0.00 H new ATOM 0 HA GLU A 86 16.118 4.913 -15.594 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.245 5.639 -17.781 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.942 7.031 -16.977 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.120 6.509 -17.640 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.835 4.780 -17.600 1.00 0.00 H new ATOM 1204 N PRO A 87 15.331 6.993 -14.247 1.00 0.00 N ATOM 1205 CA PRO A 87 14.930 7.965 -13.170 1.00 0.00 C ATOM 1206 C PRO A 87 13.975 9.010 -13.737 1.00 0.00 C ATOM 1207 O PRO A 87 12.934 9.269 -13.174 1.00 0.00 O ATOM 1208 CB PRO A 87 16.259 8.584 -12.752 1.00 0.00 C ATOM 1209 CG PRO A 87 17.215 8.408 -13.921 1.00 0.00 C ATOM 1210 CD PRO A 87 16.743 7.182 -14.707 1.00 0.00 C ATOM 0 HA PRO A 87 14.403 7.507 -12.333 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.134 9.640 -12.511 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.648 8.096 -11.858 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.216 9.295 -14.555 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.236 8.268 -13.566 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.795 7.350 -15.783 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.356 6.307 -14.491 1.00 0.00 H new ATOM 1218 N GLU A 88 14.319 9.559 -14.869 1.00 0.00 N ATOM 1219 CA GLU A 88 13.450 10.560 -15.554 1.00 0.00 C ATOM 1220 C GLU A 88 12.384 9.764 -16.281 1.00 0.00 C ATOM 1221 O GLU A 88 12.327 9.700 -17.492 1.00 0.00 O ATOM 1222 CB GLU A 88 14.276 11.371 -16.556 1.00 0.00 C ATOM 1223 CG GLU A 88 13.719 12.794 -16.642 1.00 0.00 C ATOM 1224 CD GLU A 88 14.302 13.497 -17.870 1.00 0.00 C ATOM 1225 OE1 GLU A 88 15.507 13.682 -17.907 1.00 0.00 O ATOM 1226 OE2 GLU A 88 13.532 13.836 -18.754 1.00 0.00 O ATOM 0 H GLU A 88 15.188 9.351 -15.361 1.00 0.00 H new ATOM 0 HA GLU A 88 13.010 11.260 -14.844 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.321 11.396 -16.247 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.245 10.897 -17.537 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.631 12.767 -16.708 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.970 13.349 -15.738 1.00 0.00 H new ATOM 1233 N LEU A 89 11.574 9.134 -15.502 1.00 0.00 N ATOM 1234 CA LEU A 89 10.488 8.258 -16.004 1.00 0.00 C ATOM 1235 C LEU A 89 10.129 7.279 -14.885 1.00 0.00 C ATOM 1236 O LEU A 89 9.001 6.843 -14.767 1.00 0.00 O ATOM 1237 CB LEU A 89 10.954 7.470 -17.234 1.00 0.00 C ATOM 1238 CG LEU A 89 10.083 7.829 -18.442 1.00 0.00 C ATOM 1239 CD1 LEU A 89 10.050 9.349 -18.633 1.00 0.00 C ATOM 1240 CD2 LEU A 89 10.663 7.173 -19.697 1.00 0.00 C ATOM 0 H LEU A 89 11.619 9.191 -14.485 1.00 0.00 H new ATOM 0 HA LEU A 89 9.628 8.862 -16.292 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.999 7.696 -17.448 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.894 6.400 -17.036 1.00 0.00 H new ATOM 0 HG LEU A 89 9.069 7.469 -18.271 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.428 9.594 -19.494 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.636 9.819 -17.741 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.062 9.717 -18.800 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.045 7.427 -20.559 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.679 7.534 -19.860 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.679 6.091 -19.568 1.00 0.00 H new ATOM 1252 N ALA A 90 11.077 6.951 -14.035 1.00 0.00 N ATOM 1253 CA ALA A 90 10.775 6.035 -12.917 1.00 0.00 C ATOM 1254 C ALA A 90 10.595 6.853 -11.671 1.00 0.00 C ATOM 1255 O ALA A 90 11.170 6.575 -10.639 1.00 0.00 O ATOM 1256 CB ALA A 90 11.885 5.003 -12.704 1.00 0.00 C ATOM 0 H ALA A 90 12.040 7.284 -14.078 1.00 0.00 H new ATOM 0 HA ALA A 90 9.865 5.484 -13.155 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.620 4.351 -11.872 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.006 4.407 -13.608 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.820 5.516 -12.480 1.00 0.00 H new ATOM 1262 N LYS A 91 9.776 7.855 -11.758 1.00 0.00 N ATOM 1263 CA LYS A 91 9.517 8.674 -10.579 1.00 0.00 C ATOM 1264 C LYS A 91 8.919 7.738 -9.552 1.00 0.00 C ATOM 1265 O LYS A 91 9.241 6.573 -9.496 1.00 0.00 O ATOM 1266 CB LYS A 91 8.524 9.788 -10.918 1.00 0.00 C ATOM 1267 CG LYS A 91 8.887 10.403 -12.272 1.00 0.00 C ATOM 1268 CD LYS A 91 8.163 11.740 -12.437 1.00 0.00 C ATOM 1269 CE LYS A 91 6.651 11.511 -12.413 1.00 0.00 C ATOM 1270 NZ LYS A 91 5.949 12.792 -12.710 1.00 0.00 N ATOM 0 H LYS A 91 9.278 8.134 -12.604 1.00 0.00 H new ATOM 0 HA LYS A 91 10.427 9.149 -10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.510 9.389 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.542 10.554 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.965 10.551 -12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.608 9.724 -13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.450 12.422 -11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.455 12.210 -13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.375 10.754 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.345 11.134 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.921 12.636 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.203 13.501 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.233 13.133 -13.651 1.00 0.00 H new ATOM 1284 N TYR A 92 8.086 8.223 -8.721 1.00 0.00 N ATOM 1285 CA TYR A 92 7.515 7.373 -7.690 1.00 0.00 C ATOM 1286 C TYR A 92 6.127 7.883 -7.363 1.00 0.00 C ATOM 1287 O TYR A 92 5.704 8.916 -7.844 1.00 0.00 O ATOM 1288 CB TYR A 92 8.457 7.486 -6.533 1.00 0.00 C ATOM 1289 CG TYR A 92 9.841 7.148 -7.058 1.00 0.00 C ATOM 1290 CD1 TYR A 92 10.204 5.806 -7.238 1.00 0.00 C ATOM 1291 CD2 TYR A 92 10.732 8.165 -7.439 1.00 0.00 C ATOM 1292 CE1 TYR A 92 11.448 5.478 -7.778 1.00 0.00 C ATOM 1293 CE2 TYR A 92 11.975 7.832 -7.988 1.00 0.00 C ATOM 1294 CZ TYR A 92 12.335 6.491 -8.156 1.00 0.00 C ATOM 1295 OH TYR A 92 13.562 6.168 -8.699 1.00 0.00 O ATOM 0 H TYR A 92 7.769 9.192 -8.711 1.00 0.00 H new ATOM 0 HA TYR A 92 7.404 6.329 -7.983 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.437 8.493 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.170 6.804 -5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.517 5.022 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.458 9.202 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.726 4.442 -7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.659 8.614 -8.283 1.00 0.00 H new ATOM 0 HH TYR A 92 14.054 6.990 -8.907 1.00 0.00 H new ATOM 1305 N THR A 93 5.400 7.158 -6.593 1.00 0.00 N ATOM 1306 CA THR A 93 4.010 7.602 -6.289 1.00 0.00 C ATOM 1307 C THR A 93 3.626 7.319 -4.839 1.00 0.00 C ATOM 1308 O THR A 93 4.180 6.465 -4.186 1.00 0.00 O ATOM 1309 CB THR A 93 3.046 6.865 -7.227 1.00 0.00 C ATOM 1310 OG1 THR A 93 1.819 7.579 -7.296 1.00 0.00 O ATOM 1311 CG2 THR A 93 2.783 5.445 -6.712 1.00 0.00 C ATOM 0 H THR A 93 5.691 6.283 -6.157 1.00 0.00 H new ATOM 0 HA THR A 93 3.951 8.680 -6.439 1.00 0.00 H new ATOM 0 HB THR A 93 3.494 6.802 -8.219 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.570 7.711 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.097 4.934 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.723 4.895 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.342 5.495 -5.717 1.00 0.00 H new ATOM 1319 N THR A 94 2.645 8.028 -4.356 1.00 0.00 N ATOM 1320 CA THR A 94 2.159 7.816 -2.966 1.00 0.00 C ATOM 1321 C THR A 94 0.746 7.240 -3.070 1.00 0.00 C ATOM 1322 O THR A 94 -0.106 7.803 -3.728 1.00 0.00 O ATOM 1323 CB THR A 94 2.138 9.161 -2.219 1.00 0.00 C ATOM 1324 OG1 THR A 94 3.421 9.402 -1.658 1.00 0.00 O ATOM 1325 CG2 THR A 94 1.091 9.133 -1.100 1.00 0.00 C ATOM 0 H THR A 94 2.153 8.756 -4.874 1.00 0.00 H new ATOM 0 HA THR A 94 2.809 7.135 -2.416 1.00 0.00 H new ATOM 0 HB THR A 94 1.882 9.954 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.609 8.729 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.088 10.091 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.106 8.949 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.334 8.339 -0.394 1.00 0.00 H new ATOM 1333 N CYS A 95 0.487 6.116 -2.466 1.00 0.00 N ATOM 1334 CA CYS A 95 -0.902 5.539 -2.610 1.00 0.00 C ATOM 1335 C CYS A 95 -1.656 5.496 -1.276 1.00 0.00 C ATOM 1336 O CYS A 95 -1.090 5.304 -0.228 1.00 0.00 O ATOM 1337 CB CYS A 95 -0.822 4.127 -3.196 1.00 0.00 C ATOM 1338 SG CYS A 95 -2.439 3.314 -3.099 1.00 0.00 S ATOM 0 H CYS A 95 1.141 5.579 -1.896 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.455 6.195 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.493 4.175 -4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.080 3.542 -2.653 1.00 0.00 H new ATOM 1343 N THR A 96 -2.955 5.649 -1.330 1.00 0.00 N ATOM 1344 CA THR A 96 -3.780 5.601 -0.092 1.00 0.00 C ATOM 1345 C THR A 96 -4.376 4.206 0.063 1.00 0.00 C ATOM 1346 O THR A 96 -4.794 3.592 -0.893 1.00 0.00 O ATOM 1347 CB THR A 96 -4.921 6.618 -0.200 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.415 7.848 -0.701 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.542 6.842 1.180 1.00 0.00 C ATOM 0 H THR A 96 -3.481 5.807 -2.189 1.00 0.00 H new ATOM 0 HA THR A 96 -3.155 5.836 0.769 1.00 0.00 H new ATOM 0 HB THR A 96 -5.683 6.236 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.866 8.280 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.353 7.566 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.933 5.898 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.783 7.222 1.863 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.435 3.718 1.266 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.026 2.383 1.514 1.00 0.00 C ATOM 1359 C PHE A 97 -6.114 2.550 2.566 1.00 0.00 C ATOM 1360 O PHE A 97 -5.893 3.138 3.603 1.00 0.00 O ATOM 1361 CB PHE A 97 -3.975 1.420 2.066 1.00 0.00 C ATOM 1362 CG PHE A 97 -2.920 1.090 1.011 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.211 1.187 -0.368 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.650 0.637 1.406 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.254 0.826 -1.318 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.701 0.292 0.458 1.00 0.00 C ATOM 1367 CZ PHE A 97 -0.988 0.376 -0.902 1.00 0.00 C ATOM 0 H PHE A 97 -4.093 4.196 2.099 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.419 1.981 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.495 1.863 2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.459 0.502 2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.179 1.542 -0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.412 0.557 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.485 0.892 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.274 -0.046 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.243 0.097 -1.633 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.276 2.034 2.333 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.346 2.173 3.356 1.00 0.00 C ATOM 1379 C VAL A 98 -8.791 0.762 3.735 1.00 0.00 C ATOM 1380 O VAL A 98 -9.305 0.031 2.914 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.508 2.979 2.769 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.777 2.736 3.585 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.157 4.468 2.806 1.00 0.00 C ATOM 0 H VAL A 98 -7.536 1.525 1.488 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.991 2.701 4.241 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.681 2.665 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.599 3.313 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.028 1.676 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.611 3.046 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.981 5.047 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.983 4.775 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.256 4.644 2.218 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.545 0.337 4.947 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.917 -1.064 5.299 1.00 0.00 C ATOM 1395 C VAL A 99 -9.595 -1.172 6.663 1.00 0.00 C ATOM 1396 O VAL A 99 -9.071 -0.761 7.672 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.650 -1.919 5.279 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.868 -3.189 6.105 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.343 -2.269 3.832 1.00 0.00 C ATOM 0 H VAL A 99 -8.113 0.884 5.692 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.641 -1.417 4.564 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.812 -1.374 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.962 -3.795 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.103 -2.918 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.695 -3.760 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.442 -2.880 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.179 -2.825 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.188 -1.353 3.261 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.737 -1.794 6.694 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.443 -1.978 7.991 1.00 0.00 C ATOM 1411 C TYR A 100 -10.762 -3.114 8.767 1.00 0.00 C ATOM 1412 O TYR A 100 -10.306 -4.077 8.182 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.914 -2.310 7.737 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.772 -1.579 8.734 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.691 -0.187 8.820 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.648 -2.285 9.564 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.484 0.507 9.737 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.443 -1.591 10.482 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.361 -0.196 10.571 1.00 0.00 C ATOM 1420 OH TYR A 100 -16.146 0.486 11.478 1.00 0.00 O ATOM 0 H TYR A 100 -11.212 -2.183 5.880 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.395 -1.060 8.577 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.193 -2.024 6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.075 -3.385 7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.014 0.354 8.176 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.711 -3.361 9.497 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.421 1.583 9.802 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.122 -2.133 11.124 1.00 0.00 H new ATOM 0 HH TYR A 100 -15.580 0.859 12.185 1.00 0.00 H new ATOM 1430 N SER A 101 -10.660 -3.012 10.070 1.00 0.00 N ATOM 1431 CA SER A 101 -9.981 -4.083 10.839 1.00 0.00 C ATOM 1432 C SER A 101 -10.791 -4.393 12.114 1.00 0.00 C ATOM 1433 O SER A 101 -10.751 -3.657 13.083 1.00 0.00 O ATOM 1434 CB SER A 101 -8.569 -3.586 11.194 1.00 0.00 C ATOM 1435 OG SER A 101 -8.542 -2.168 11.152 1.00 0.00 O ATOM 0 H SER A 101 -11.018 -2.235 10.626 1.00 0.00 H new ATOM 0 HA SER A 101 -9.910 -5.000 10.254 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.288 -3.936 12.187 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.841 -3.995 10.493 1.00 0.00 H new ATOM 0 HG SER A 101 -7.613 -1.860 11.110 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.535 -5.480 12.113 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.351 -5.857 13.313 1.00 0.00 C ATOM 1443 C ILE A 102 -11.514 -6.814 14.187 1.00 0.00 C ATOM 1444 O ILE A 102 -11.334 -7.960 13.833 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.626 -6.577 12.852 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -13.979 -6.137 11.426 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.779 -6.223 13.796 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.430 -6.508 11.109 1.00 0.00 C ATOM 0 H ILE A 102 -11.610 -6.124 11.326 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.623 -4.967 13.880 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.460 -7.654 12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.839 -5.061 11.323 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.308 -6.615 10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.686 -6.733 13.470 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.529 -6.538 14.809 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.944 -5.146 13.781 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.673 -6.192 10.094 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.556 -7.587 11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.095 -6.009 11.814 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.006 -6.319 15.291 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.148 -7.118 16.233 1.00 0.00 C ATOM 1462 C PRO A 103 -10.914 -8.274 16.893 1.00 0.00 C ATOM 1463 O PRO A 103 -10.485 -9.408 16.838 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.699 -6.084 17.260 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.714 -4.954 17.204 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.218 -4.914 15.763 1.00 0.00 C ATOM 0 HA PRO A 103 -9.318 -7.607 15.722 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.658 -6.520 18.258 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.698 -5.718 17.031 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.534 -5.131 17.900 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.257 -4.005 17.484 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.268 -4.625 15.711 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.660 -4.198 15.160 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.021 -8.015 17.533 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.757 -9.138 18.194 1.00 0.00 C ATOM 1476 C TRP A 104 -13.135 -10.223 17.170 1.00 0.00 C ATOM 1477 O TRP A 104 -13.610 -11.279 17.537 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.032 -8.610 18.873 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.022 -8.147 17.846 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -15.860 -8.949 17.139 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.306 -6.786 17.415 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.623 -8.165 16.295 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.319 -6.826 16.427 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.783 -5.533 17.777 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.795 -5.665 15.822 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.262 -4.362 17.170 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.264 -4.429 16.194 1.00 0.00 C ATOM 0 H TRP A 104 -12.445 -7.092 17.628 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.100 -9.576 18.945 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.476 -9.394 19.486 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.781 -7.786 19.541 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.920 -10.024 17.223 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.325 -8.532 15.653 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.008 -5.471 18.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.569 -5.721 15.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.856 -3.404 17.457 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.626 -3.524 15.729 1.00 0.00 H new ATOM 1498 N LEU A 105 -12.972 -9.971 15.896 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.363 -10.960 14.882 1.00 0.00 C ATOM 1500 C LEU A 105 -12.252 -11.117 13.839 1.00 0.00 C ATOM 1501 O LEU A 105 -12.454 -11.720 12.803 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.583 -10.377 14.228 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.797 -11.311 14.283 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.775 -12.252 13.077 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -15.800 -12.132 15.577 1.00 0.00 C ATOM 0 H LEU A 105 -12.578 -9.107 15.524 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.546 -11.942 15.318 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.834 -9.435 14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.355 -10.147 13.187 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.701 -10.703 14.260 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.639 -12.916 13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.810 -11.667 12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.861 -12.845 13.095 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.672 -12.786 15.591 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.893 -12.735 15.628 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.837 -11.460 16.434 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.086 -10.591 14.114 1.00 0.00 N ATOM 1518 CA ASN A 106 -9.948 -10.701 13.161 1.00 0.00 C ATOM 1519 C ASN A 106 -10.457 -10.682 11.722 1.00 0.00 C ATOM 1520 O ASN A 106 -10.199 -11.578 10.943 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.212 -11.995 13.451 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.794 -11.924 12.880 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.602 -12.027 11.685 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -6.786 -11.748 13.690 1.00 0.00 N ATOM 0 H ASN A 106 -10.874 -10.083 14.973 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.272 -9.855 13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.173 -12.168 14.526 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.749 -12.836 13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.837 -11.697 13.320 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.947 -11.661 14.693 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.183 -9.661 11.373 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.724 -9.560 9.991 1.00 0.00 C ATOM 1533 C GLN A 107 -11.177 -8.300 9.320 1.00 0.00 C ATOM 1534 O GLN A 107 -11.666 -7.207 9.529 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.251 -9.486 10.047 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.843 -10.330 8.915 1.00 0.00 C ATOM 1537 CD GLN A 107 -15.365 -10.173 8.905 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -15.990 -10.121 9.945 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.993 -10.094 7.763 1.00 0.00 N ATOM 0 H GLN A 107 -11.427 -8.886 11.990 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.423 -10.436 9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.609 -9.848 11.011 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.580 -8.451 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.428 -10.016 7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.576 -11.378 9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.469 -10.138 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.007 -9.989 7.745 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.164 -8.448 8.513 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.579 -7.272 7.816 1.00 0.00 C ATOM 1550 C ILE A 108 -10.148 -7.224 6.391 1.00 0.00 C ATOM 1551 O ILE A 108 -10.278 -8.239 5.736 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.043 -7.419 7.818 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.425 -6.166 8.456 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.502 -7.630 6.394 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.052 -5.857 7.862 1.00 0.00 C ATOM 0 H ILE A 108 -9.714 -9.340 8.306 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.832 -6.338 8.317 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.769 -8.299 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.088 -5.314 8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.333 -6.312 9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.417 -7.730 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.937 -8.535 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.768 -6.774 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.643 -4.965 8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.382 -6.699 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.149 -5.686 6.790 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.502 -6.065 5.907 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.073 -5.994 4.532 1.00 0.00 C ATOM 1569 C LYS A 109 -10.596 -4.730 3.814 1.00 0.00 C ATOM 1570 O LYS A 109 -10.657 -3.635 4.342 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.601 -5.978 4.620 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.189 -5.718 3.232 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.264 -6.763 2.928 1.00 0.00 C ATOM 1574 CE LYS A 109 -13.615 -8.144 2.806 1.00 0.00 C ATOM 1575 NZ LYS A 109 -14.616 -9.195 3.140 1.00 0.00 N ATOM 0 H LYS A 109 -10.422 -5.174 6.397 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.738 -6.865 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.964 -6.930 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.928 -5.205 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.618 -4.717 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.402 -5.760 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.013 -6.770 3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.781 -6.510 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.240 -8.293 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.759 -8.216 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.175 -10.133 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.954 -9.056 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.419 -9.131 2.483 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.141 -4.883 2.597 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.676 -3.709 1.807 1.00 0.00 C ATOM 1591 C LEU A 110 -10.872 -2.839 1.452 1.00 0.00 C ATOM 1592 O LEU A 110 -12.004 -3.275 1.514 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.002 -4.195 0.535 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.599 -2.988 -0.304 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.648 -2.087 0.488 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.891 -3.482 -1.548 1.00 0.00 C ATOM 0 H LEU A 110 -10.072 -5.779 2.115 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.965 -3.127 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.125 -4.794 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.679 -4.836 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.488 -2.417 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.367 -1.228 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.145 -1.741 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.753 -2.649 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.595 -2.630 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.005 -4.048 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.563 -4.124 -2.118 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.643 -1.611 1.083 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.792 -0.733 0.736 1.00 0.00 C ATOM 1610 C LEU A 111 -11.399 0.221 -0.384 1.00 0.00 C ATOM 1611 O LEU A 111 -11.657 -0.022 -1.546 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.208 0.075 1.968 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.286 -0.686 2.742 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.804 -0.941 4.171 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.571 0.145 2.779 1.00 0.00 C ATOM 0 H LEU A 111 -9.721 -1.181 1.007 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.625 -1.352 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.344 0.252 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.585 1.052 1.664 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.483 -1.638 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.572 -1.483 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.889 -1.533 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.607 0.011 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.339 -0.397 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.374 1.097 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -14.916 0.328 1.761 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.800 1.314 -0.037 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.411 2.311 -1.076 1.00 0.00 C ATOM 1629 C GLU A 112 -8.886 2.481 -1.149 1.00 0.00 C ATOM 1630 O GLU A 112 -8.314 3.311 -0.472 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.051 3.658 -0.741 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.966 4.090 -1.888 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.273 5.583 -1.764 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -11.443 6.295 -1.226 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -13.334 5.988 -2.210 1.00 0.00 O ATOM 0 H GLU A 112 -10.559 1.568 0.921 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.760 1.950 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.622 3.581 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.278 4.409 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.487 3.885 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.892 3.515 -1.865 1.00 0.00 H new ATOM 1642 N SER A 113 -8.234 1.734 -2.002 1.00 0.00 N ATOM 1643 CA SER A 113 -6.756 1.889 -2.162 1.00 0.00 C ATOM 1644 C SER A 113 -6.525 2.851 -3.335 1.00 0.00 C ATOM 1645 O SER A 113 -6.591 2.462 -4.484 1.00 0.00 O ATOM 1646 CB SER A 113 -6.120 0.533 -2.477 1.00 0.00 C ATOM 1647 OG SER A 113 -7.140 -0.429 -2.709 1.00 0.00 O ATOM 0 H SER A 113 -8.661 1.023 -2.595 1.00 0.00 H new ATOM 0 HA SER A 113 -6.307 2.274 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.478 0.616 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.488 0.215 -1.648 1.00 0.00 H new ATOM 0 HG SER A 113 -6.846 -1.058 -3.401 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.301 4.109 -3.062 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.120 5.092 -4.176 1.00 0.00 C ATOM 1655 C LYS A 114 -4.645 5.219 -4.567 1.00 0.00 C ATOM 1656 O LYS A 114 -3.958 6.122 -4.135 1.00 0.00 O ATOM 1657 CB LYS A 114 -6.643 6.459 -3.730 1.00 0.00 C ATOM 1658 CG LYS A 114 -7.936 6.779 -4.482 1.00 0.00 C ATOM 1659 CD LYS A 114 -7.642 7.771 -5.610 1.00 0.00 C ATOM 1660 CE LYS A 114 -8.671 7.593 -6.728 1.00 0.00 C ATOM 1661 NZ LYS A 114 -9.387 8.882 -6.951 1.00 0.00 N ATOM 0 H LYS A 114 -6.235 4.499 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.676 4.737 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.825 6.458 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.896 7.228 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.366 5.865 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.672 7.199 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.676 8.792 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.636 7.609 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.176 7.276 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.382 6.811 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.087 8.763 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.871 9.166 -6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.703 9.617 -7.222 1.00 0.00 H new ATOM 1675 N CYS A 115 -4.161 4.339 -5.397 1.00 0.00 N ATOM 1676 CA CYS A 115 -2.735 4.429 -5.823 1.00 0.00 C ATOM 1677 C CYS A 115 -2.633 5.284 -7.086 1.00 0.00 C ATOM 1678 O CYS A 115 -3.073 4.897 -8.150 1.00 0.00 O ATOM 1679 CB CYS A 115 -2.202 3.024 -6.104 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.418 1.995 -4.631 1.00 0.00 S ATOM 0 H CYS A 115 -4.688 3.563 -5.798 1.00 0.00 H new ATOM 0 HA CYS A 115 -2.143 4.888 -5.031 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -2.731 2.584 -6.949 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -1.148 3.071 -6.377 1.00 0.00 H new ATOM 1685 N GLN A 116 -2.056 6.451 -6.975 1.00 0.00 N ATOM 1686 CA GLN A 116 -1.927 7.339 -8.165 1.00 0.00 C ATOM 1687 C GLN A 116 -3.316 7.648 -8.724 1.00 0.00 C ATOM 1688 CB GLN A 116 -1.088 6.643 -9.237 1.00 0.00 C ATOM 1689 CG GLN A 116 -0.958 7.560 -10.455 1.00 0.00 C ATOM 1690 CD GLN A 116 0.426 7.387 -11.083 1.00 0.00 C ATOM 1691 OE1 GLN A 116 0.896 6.279 -11.248 1.00 0.00 O ATOM 1692 NE2 GLN A 116 1.101 8.443 -11.443 1.00 0.00 N ATOM 0 H GLN A 116 -1.668 6.827 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 116 -1.439 8.268 -7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -0.101 6.402 -8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.555 5.701 -9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -1.732 7.323 -11.185 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -1.107 8.598 -10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 116 0.706 9.373 -11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.024 8.339 -11.864 1.00 0.00 H new