USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=18 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 63 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5.5!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 100 TYR OH : rot 150:sc= -1.08 USER MOD Set 3.1: A 33 ASN : amide:sc= -0.317 K(o=-0.66,f=-5.1!) USER MOD Set 3.2: A 36 SER OG : rot -53:sc= 0.756 USER MOD Set 3.3: A 42 SER OG : rot -120:sc= -1.1 USER MOD Single : A 17 ASN : amide:sc= -4.16! C(o=-4.2!,f=-2.6!) USER MOD Single : A 22 GLN : amide:sc= -0.559 K(o=-0.56,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0581 X(o=-0.058,f=-0.25) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 37 ASN : amide:sc= -0.565 K(o=-0.57,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0.188 (180deg=0.0415) USER MOD Single : A 40 TYR OH : rot -72:sc= 0.633 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.329 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.405 K(o=-0.4,f=-6.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 130:sc= -0.235 USER MOD Single : A 69 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 146:sc= -2.94! USER MOD Single : A 106 ASN : amide:sc= -0.121 K(o=-0.12,f=0.91) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 130:sc= 0.0411 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -9.444 9.001 15.721 1.00 0.00 N ATOM 18 CA PRO A 11 -8.497 8.230 14.856 1.00 0.00 C ATOM 19 C PRO A 11 -7.101 8.202 15.482 1.00 0.00 C ATOM 20 O PRO A 11 -6.607 9.201 15.964 1.00 0.00 O ATOM 21 CB PRO A 11 -8.488 9.016 13.552 1.00 0.00 C ATOM 22 CG PRO A 11 -8.903 10.439 13.893 1.00 0.00 C ATOM 23 CD PRO A 11 -9.742 10.372 15.170 1.00 0.00 C ATOM 0 HA PRO A 11 -8.790 7.189 14.722 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.497 9.001 13.098 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.176 8.575 12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.027 11.070 14.041 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.478 10.878 13.078 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.463 11.156 15.874 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.804 10.497 14.959 1.00 0.00 H new ATOM 31 N VAL A 12 -6.459 7.065 15.474 1.00 0.00 N ATOM 32 CA VAL A 12 -5.106 6.965 16.056 1.00 0.00 C ATOM 33 C VAL A 12 -4.131 6.682 14.915 1.00 0.00 C ATOM 34 O VAL A 12 -4.485 6.015 13.971 1.00 0.00 O ATOM 35 CB VAL A 12 -5.099 5.789 17.038 1.00 0.00 C ATOM 36 CG1 VAL A 12 -3.670 5.498 17.463 1.00 0.00 C ATOM 37 CG2 VAL A 12 -5.957 6.100 18.277 1.00 0.00 C ATOM 0 H VAL A 12 -6.825 6.197 15.083 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.823 7.881 16.574 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.523 4.917 16.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.661 4.662 18.162 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.074 5.244 16.586 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.248 6.379 17.946 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.935 5.249 18.958 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.560 6.980 18.783 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.985 6.292 17.969 1.00 0.00 H new ATOM 47 N PRO A 13 -2.939 7.196 15.018 1.00 0.00 N ATOM 48 CA PRO A 13 -1.896 7.009 13.973 1.00 0.00 C ATOM 49 C PRO A 13 -1.206 5.657 14.134 1.00 0.00 C ATOM 50 O PRO A 13 -1.204 5.064 15.194 1.00 0.00 O ATOM 51 CB PRO A 13 -0.934 8.160 14.237 1.00 0.00 C ATOM 52 CG PRO A 13 -1.109 8.560 15.700 1.00 0.00 C ATOM 53 CD PRO A 13 -2.463 8.020 16.175 1.00 0.00 C ATOM 0 HA PRO A 13 -2.292 7.014 12.958 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.094 7.856 14.040 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.149 9.002 13.579 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.301 8.152 16.307 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.071 9.644 15.807 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.360 7.420 17.079 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.158 8.827 16.405 1.00 0.00 H new ATOM 61 N VAL A 14 -0.629 5.166 13.077 1.00 0.00 N ATOM 62 CA VAL A 14 0.057 3.847 13.140 1.00 0.00 C ATOM 63 C VAL A 14 1.223 3.916 14.122 1.00 0.00 C ATOM 64 O VAL A 14 1.665 4.978 14.515 1.00 0.00 O ATOM 65 CB VAL A 14 0.584 3.480 11.741 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.831 4.308 11.422 1.00 0.00 C ATOM 67 CG2 VAL A 14 0.935 1.994 11.698 1.00 0.00 C ATOM 0 H VAL A 14 -0.602 5.624 12.166 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.649 3.088 13.477 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.188 3.693 11.002 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.199 4.044 10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.579 5.368 11.445 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.604 4.102 12.163 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.308 1.737 10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.703 1.780 12.441 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.045 1.403 11.915 1.00 0.00 H new ATOM 77 N ASP A 15 1.721 2.782 14.516 1.00 0.00 N ATOM 78 CA ASP A 15 2.862 2.751 15.475 1.00 0.00 C ATOM 79 C ASP A 15 4.144 2.415 14.721 1.00 0.00 C ATOM 80 O ASP A 15 4.133 2.153 13.534 1.00 0.00 O ATOM 81 CB ASP A 15 2.613 1.689 16.553 1.00 0.00 C ATOM 82 CG ASP A 15 1.113 1.405 16.675 1.00 0.00 C ATOM 83 OD1 ASP A 15 0.346 2.353 16.644 1.00 0.00 O ATOM 84 OD2 ASP A 15 0.758 0.245 16.796 1.00 0.00 O ATOM 0 H ASP A 15 1.386 1.867 14.215 1.00 0.00 H new ATOM 0 HA ASP A 15 2.957 3.727 15.951 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.145 0.772 16.301 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.005 2.032 17.510 1.00 0.00 H new ATOM 89 N GLU A 16 5.254 2.426 15.403 1.00 0.00 N ATOM 90 CA GLU A 16 6.551 2.113 14.732 1.00 0.00 C ATOM 91 C GLU A 16 6.464 0.787 13.973 1.00 0.00 C ATOM 92 O GLU A 16 7.279 0.494 13.121 1.00 0.00 O ATOM 93 CB GLU A 16 7.663 2.031 15.780 1.00 0.00 C ATOM 94 CG GLU A 16 7.748 3.357 16.538 1.00 0.00 C ATOM 95 CD GLU A 16 7.693 3.088 18.044 1.00 0.00 C ATOM 96 OE1 GLU A 16 6.596 2.971 18.565 1.00 0.00 O ATOM 97 OE2 GLU A 16 8.749 3.005 18.650 1.00 0.00 O ATOM 0 H GLU A 16 5.322 2.638 16.398 1.00 0.00 H new ATOM 0 HA GLU A 16 6.773 2.907 14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.463 1.215 16.475 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.616 1.813 15.298 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.673 3.875 16.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.926 4.010 16.244 1.00 0.00 H new ATOM 104 N ASN A 17 5.486 -0.011 14.270 1.00 0.00 N ATOM 105 CA ASN A 17 5.343 -1.318 13.567 1.00 0.00 C ATOM 106 C ASN A 17 3.885 -1.512 13.150 1.00 0.00 C ATOM 107 O ASN A 17 3.515 -1.285 12.015 1.00 0.00 O ATOM 108 CB ASN A 17 5.776 -2.457 14.497 1.00 0.00 C ATOM 109 CG ASN A 17 5.494 -2.074 15.953 1.00 0.00 C ATOM 110 OD1 ASN A 17 4.687 -2.700 16.613 1.00 0.00 O ATOM 111 ND2 ASN A 17 6.129 -1.065 16.486 1.00 0.00 N ATOM 0 H ASN A 17 4.773 0.182 14.973 1.00 0.00 H new ATOM 0 HA ASN A 17 5.977 -1.325 12.680 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.240 -3.371 14.241 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.838 -2.663 14.365 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.948 -0.803 17.455 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.806 -0.539 15.933 1.00 0.00 H new ATOM 118 N ASP A 18 3.059 -1.925 14.062 1.00 0.00 N ATOM 119 CA ASP A 18 1.621 -2.133 13.731 1.00 0.00 C ATOM 120 C ASP A 18 1.493 -3.217 12.660 1.00 0.00 C ATOM 121 O ASP A 18 1.471 -2.938 11.478 1.00 0.00 O ATOM 122 CB ASP A 18 1.027 -0.825 13.206 1.00 0.00 C ATOM 123 CG ASP A 18 -0.404 -0.668 13.726 1.00 0.00 C ATOM 124 OD1 ASP A 18 -1.293 -1.274 13.150 1.00 0.00 O ATOM 125 OD2 ASP A 18 -0.586 0.055 14.691 1.00 0.00 O ATOM 0 H ASP A 18 3.315 -2.130 15.028 1.00 0.00 H new ATOM 0 HA ASP A 18 1.084 -2.445 14.627 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.637 0.019 13.529 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.031 -0.823 12.116 1.00 0.00 H new ATOM 130 N GLU A 19 1.406 -4.455 13.065 1.00 0.00 N ATOM 131 CA GLU A 19 1.279 -5.557 12.070 1.00 0.00 C ATOM 132 C GLU A 19 0.029 -5.332 11.217 1.00 0.00 C ATOM 133 O GLU A 19 -0.023 -5.713 10.064 1.00 0.00 O ATOM 134 CB GLU A 19 1.165 -6.896 12.802 1.00 0.00 C ATOM 135 CG GLU A 19 0.010 -6.835 13.802 1.00 0.00 C ATOM 136 CD GLU A 19 -1.069 -7.841 13.399 1.00 0.00 C ATOM 137 OE1 GLU A 19 -1.141 -8.165 12.225 1.00 0.00 O ATOM 138 OE2 GLU A 19 -1.808 -8.270 14.271 1.00 0.00 O ATOM 0 H GLU A 19 1.417 -4.750 14.041 1.00 0.00 H new ATOM 0 HA GLU A 19 2.159 -5.570 11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.998 -7.701 12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.097 -7.119 13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.372 -7.057 14.806 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.408 -5.829 13.829 1.00 0.00 H new ATOM 145 N GLY A 20 -0.979 -4.719 11.773 1.00 0.00 N ATOM 146 CA GLY A 20 -2.222 -4.471 10.991 1.00 0.00 C ATOM 147 C GLY A 20 -1.925 -3.492 9.852 1.00 0.00 C ATOM 148 O GLY A 20 -2.341 -3.691 8.728 1.00 0.00 O ATOM 0 H GLY A 20 -0.996 -4.379 12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.603 -5.409 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.997 -4.065 11.640 1.00 0.00 H new ATOM 152 N LEU A 21 -1.209 -2.436 10.134 1.00 0.00 N ATOM 153 CA LEU A 21 -0.887 -1.448 9.066 1.00 0.00 C ATOM 154 C LEU A 21 0.014 -2.100 8.019 1.00 0.00 C ATOM 155 O LEU A 21 -0.082 -1.808 6.844 1.00 0.00 O ATOM 156 CB LEU A 21 -0.168 -0.247 9.683 1.00 0.00 C ATOM 157 CG LEU A 21 0.412 0.633 8.571 1.00 0.00 C ATOM 158 CD1 LEU A 21 -0.231 2.019 8.629 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.924 0.764 8.762 1.00 0.00 C ATOM 0 H LEU A 21 -0.834 -2.216 11.057 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.810 -1.115 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.862 0.331 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.629 -0.588 10.344 1.00 0.00 H new ATOM 0 HG LEU A 21 0.206 0.178 7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.182 2.645 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.309 1.926 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.025 2.475 9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.338 1.390 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.130 1.219 9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.383 -0.224 8.720 1.00 0.00 H new ATOM 171 N GLN A 22 0.886 -2.981 8.424 1.00 0.00 N ATOM 172 CA GLN A 22 1.779 -3.641 7.431 1.00 0.00 C ATOM 173 C GLN A 22 0.930 -4.485 6.485 1.00 0.00 C ATOM 174 O GLN A 22 1.065 -4.412 5.279 1.00 0.00 O ATOM 175 CB GLN A 22 2.792 -4.531 8.154 1.00 0.00 C ATOM 176 CG GLN A 22 3.696 -3.665 9.034 1.00 0.00 C ATOM 177 CD GLN A 22 4.821 -4.526 9.611 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.926 -4.056 9.798 1.00 0.00 O ATOM 179 NE2 GLN A 22 4.585 -5.775 9.906 1.00 0.00 N ATOM 0 H GLN A 22 1.019 -3.271 9.393 1.00 0.00 H new ATOM 0 HA GLN A 22 2.319 -2.884 6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.273 -5.270 8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.392 -5.081 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.114 -2.846 8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.116 -3.217 9.841 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.658 -6.170 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.328 -6.357 10.294 1.00 0.00 H new ATOM 188 N ARG A 23 0.046 -5.271 7.021 1.00 0.00 N ATOM 189 CA ARG A 23 -0.826 -6.107 6.151 1.00 0.00 C ATOM 190 C ARG A 23 -1.703 -5.177 5.315 1.00 0.00 C ATOM 191 O ARG A 23 -2.239 -5.556 4.291 1.00 0.00 O ATOM 192 CB ARG A 23 -1.708 -7.006 7.020 1.00 0.00 C ATOM 193 CG ARG A 23 -0.859 -8.128 7.620 1.00 0.00 C ATOM 194 CD ARG A 23 -0.931 -9.360 6.716 1.00 0.00 C ATOM 195 NE ARG A 23 -1.888 -10.345 7.295 1.00 0.00 N ATOM 196 CZ ARG A 23 -1.465 -11.521 7.673 1.00 0.00 C ATOM 197 NH1 ARG A 23 -0.285 -11.645 8.214 1.00 0.00 N ATOM 198 NH2 ARG A 23 -2.224 -12.571 7.511 1.00 0.00 N ATOM 0 H ARG A 23 -0.113 -5.373 8.023 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.218 -6.735 5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.170 -6.421 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.517 -7.427 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.175 -7.800 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.217 -8.375 8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.251 -9.071 5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.057 -9.811 6.618 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.873 -10.100 7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.306 -10.824 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.047 -12.563 8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.147 -12.473 7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.893 -13.490 7.806 1.00 0.00 H new ATOM 212 N ALA A 24 -1.846 -3.953 5.748 1.00 0.00 N ATOM 213 CA ALA A 24 -2.677 -2.980 4.989 1.00 0.00 C ATOM 214 C ALA A 24 -1.919 -2.539 3.741 1.00 0.00 C ATOM 215 O ALA A 24 -2.432 -2.585 2.638 1.00 0.00 O ATOM 216 CB ALA A 24 -2.968 -1.762 5.869 1.00 0.00 C ATOM 0 H ALA A 24 -1.420 -3.586 6.599 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.618 -3.448 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.577 -1.049 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.505 -2.079 6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.029 -1.290 6.158 1.00 0.00 H new ATOM 222 N LEU A 25 -0.698 -2.114 3.904 1.00 0.00 N ATOM 223 CA LEU A 25 0.094 -1.675 2.743 1.00 0.00 C ATOM 224 C LEU A 25 0.275 -2.837 1.776 1.00 0.00 C ATOM 225 O LEU A 25 0.199 -2.682 0.582 1.00 0.00 O ATOM 226 CB LEU A 25 1.444 -1.208 3.262 1.00 0.00 C ATOM 227 CG LEU A 25 2.372 -0.886 2.088 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.529 0.631 1.965 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.741 -1.523 2.332 1.00 0.00 C ATOM 0 H LEU A 25 -0.219 -2.055 4.802 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.409 -0.867 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.317 -0.325 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.890 -1.981 3.888 1.00 0.00 H new ATOM 0 HG LEU A 25 1.946 -1.283 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.190 0.862 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.553 1.085 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.956 1.028 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.403 -1.294 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.168 -1.126 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.629 -2.604 2.421 1.00 0.00 H new ATOM 241 N GLN A 26 0.521 -4.000 2.283 1.00 0.00 N ATOM 242 CA GLN A 26 0.717 -5.172 1.382 1.00 0.00 C ATOM 243 C GLN A 26 -0.583 -5.508 0.646 1.00 0.00 C ATOM 244 O GLN A 26 -0.568 -6.023 -0.454 1.00 0.00 O ATOM 245 CB GLN A 26 1.166 -6.380 2.206 1.00 0.00 C ATOM 246 CG GLN A 26 2.121 -7.240 1.377 1.00 0.00 C ATOM 247 CD GLN A 26 3.493 -7.276 2.052 1.00 0.00 C ATOM 248 OE1 GLN A 26 3.997 -6.260 2.485 1.00 0.00 O ATOM 249 NE2 GLN A 26 4.123 -8.413 2.159 1.00 0.00 N ATOM 0 H GLN A 26 0.597 -4.199 3.281 1.00 0.00 H new ATOM 0 HA GLN A 26 1.481 -4.924 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.660 -6.047 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.300 -6.969 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.725 -8.251 1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.210 -6.834 0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.700 -9.267 1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.039 -8.448 2.606 1.00 0.00 H new ATOM 258 N PHE A 27 -1.705 -5.225 1.241 1.00 0.00 N ATOM 259 CA PHE A 27 -3.004 -5.534 0.575 1.00 0.00 C ATOM 260 C PHE A 27 -3.227 -4.594 -0.603 1.00 0.00 C ATOM 261 O PHE A 27 -3.427 -5.011 -1.732 1.00 0.00 O ATOM 262 CB PHE A 27 -4.116 -5.328 1.586 1.00 0.00 C ATOM 263 CG PHE A 27 -5.436 -5.854 1.070 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.536 -6.402 -0.215 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.571 -5.778 1.888 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.773 -6.872 -0.678 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.803 -6.244 1.424 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.906 -6.792 0.141 1.00 0.00 C ATOM 0 H PHE A 27 -1.782 -4.792 2.161 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.995 -6.562 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.861 -5.833 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.210 -4.266 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.663 -6.462 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.493 -5.358 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.852 -7.296 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.677 -6.181 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.859 -7.153 -0.218 1.00 0.00 H new ATOM 278 N ALA A 28 -3.206 -3.330 -0.340 1.00 0.00 N ATOM 279 CA ALA A 28 -3.434 -2.338 -1.426 1.00 0.00 C ATOM 280 C ALA A 28 -2.247 -2.320 -2.389 1.00 0.00 C ATOM 281 O ALA A 28 -2.409 -2.499 -3.573 1.00 0.00 O ATOM 282 CB ALA A 28 -3.613 -0.961 -0.816 1.00 0.00 C ATOM 0 H ALA A 28 -3.040 -2.931 0.584 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.330 -2.618 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.780 -0.231 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.471 -0.970 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.717 -0.691 -0.257 1.00 0.00 H new ATOM 288 N ILE A 29 -1.057 -2.110 -1.896 1.00 0.00 N ATOM 289 CA ILE A 29 0.133 -2.099 -2.799 1.00 0.00 C ATOM 290 C ILE A 29 0.043 -3.317 -3.708 1.00 0.00 C ATOM 291 O ILE A 29 0.185 -3.231 -4.911 1.00 0.00 O ATOM 292 CB ILE A 29 1.414 -2.145 -1.941 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.458 -1.221 -2.533 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.995 -3.549 -1.876 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.812 0.116 -2.781 1.00 0.00 C ATOM 0 H ILE A 29 -0.856 -1.946 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 29 0.160 -1.195 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 29 1.146 -1.829 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.303 -1.115 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.848 -1.634 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.896 -3.542 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.263 -4.226 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.243 -3.887 -2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.545 0.801 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.981 -0.005 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.442 0.522 -1.839 1.00 0.00 H new ATOM 307 N ALA A 30 -0.214 -4.452 -3.130 1.00 0.00 N ATOM 308 CA ALA A 30 -0.351 -5.679 -3.953 1.00 0.00 C ATOM 309 C ALA A 30 -1.306 -5.344 -5.090 1.00 0.00 C ATOM 310 O ALA A 30 -1.053 -5.626 -6.246 1.00 0.00 O ATOM 311 CB ALA A 30 -0.935 -6.810 -3.102 1.00 0.00 C ATOM 0 H ALA A 30 -0.335 -4.583 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 30 0.616 -6.004 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.034 -7.709 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.272 -7.012 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.916 -6.515 -2.728 1.00 0.00 H new ATOM 317 N GLU A 31 -2.401 -4.713 -4.759 1.00 0.00 N ATOM 318 CA GLU A 31 -3.378 -4.322 -5.806 1.00 0.00 C ATOM 319 C GLU A 31 -2.705 -3.407 -6.825 1.00 0.00 C ATOM 320 O GLU A 31 -2.961 -3.501 -8.005 1.00 0.00 O ATOM 321 CB GLU A 31 -4.562 -3.590 -5.171 1.00 0.00 C ATOM 322 CG GLU A 31 -5.105 -4.409 -3.998 1.00 0.00 C ATOM 323 CD GLU A 31 -6.302 -5.239 -4.466 1.00 0.00 C ATOM 324 OE1 GLU A 31 -6.548 -5.266 -5.660 1.00 0.00 O ATOM 325 OE2 GLU A 31 -6.951 -5.834 -3.622 1.00 0.00 O ATOM 0 H GLU A 31 -2.658 -4.453 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.737 -5.222 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.250 -2.604 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.346 -3.434 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.326 -5.063 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.404 -3.747 -3.185 1.00 0.00 H new ATOM 332 N TYR A 32 -1.843 -2.525 -6.394 1.00 0.00 N ATOM 333 CA TYR A 32 -1.168 -1.630 -7.372 1.00 0.00 C ATOM 334 C TYR A 32 -0.482 -2.489 -8.438 1.00 0.00 C ATOM 335 O TYR A 32 -0.629 -2.266 -9.627 1.00 0.00 O ATOM 336 CB TYR A 32 -0.131 -0.794 -6.638 1.00 0.00 C ATOM 337 CG TYR A 32 0.252 0.400 -7.459 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.614 1.492 -7.568 1.00 0.00 C ATOM 339 CD2 TYR A 32 1.505 0.438 -8.065 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.224 2.610 -8.288 1.00 0.00 C ATOM 341 CE2 TYR A 32 1.901 1.556 -8.776 1.00 0.00 C ATOM 342 CZ TYR A 32 1.038 2.653 -8.894 1.00 0.00 C ATOM 343 OH TYR A 32 1.430 3.771 -9.601 1.00 0.00 O ATOM 0 H TYR A 32 -1.581 -2.388 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.894 -0.972 -7.849 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.530 -0.470 -5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.752 -1.399 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.583 1.464 -7.093 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.170 -0.409 -7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.895 3.451 -8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.876 1.583 -9.240 1.00 0.00 H new ATOM 0 HH TYR A 32 2.334 3.634 -9.955 1.00 0.00 H new ATOM 353 N ASN A 33 0.259 -3.477 -8.015 1.00 0.00 N ATOM 354 CA ASN A 33 0.948 -4.364 -8.992 1.00 0.00 C ATOM 355 C ASN A 33 -0.093 -4.990 -9.921 1.00 0.00 C ATOM 356 O ASN A 33 -0.007 -4.881 -11.128 1.00 0.00 O ATOM 357 CB ASN A 33 1.695 -5.467 -8.242 1.00 0.00 C ATOM 358 CG ASN A 33 2.170 -6.529 -9.236 1.00 0.00 C ATOM 359 OD1 ASN A 33 3.188 -6.363 -9.879 1.00 0.00 O ATOM 360 ND2 ASN A 33 1.473 -7.621 -9.389 1.00 0.00 N ATOM 0 H ASN A 33 0.416 -3.707 -7.034 1.00 0.00 H new ATOM 0 HA ASN A 33 1.660 -3.783 -9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.547 -5.046 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.043 -5.919 -7.495 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.782 -8.335 -10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.619 -7.761 -8.849 1.00 0.00 H new ATOM 367 N ARG A 34 -1.086 -5.638 -9.368 1.00 0.00 N ATOM 368 CA ARG A 34 -2.132 -6.258 -10.228 1.00 0.00 C ATOM 369 C ARG A 34 -2.839 -5.159 -11.020 1.00 0.00 C ATOM 370 O ARG A 34 -3.539 -5.419 -11.980 1.00 0.00 O ATOM 371 CB ARG A 34 -3.150 -6.993 -9.352 1.00 0.00 C ATOM 372 CG ARG A 34 -4.369 -7.368 -10.197 1.00 0.00 C ATOM 373 CD ARG A 34 -5.304 -8.262 -9.382 1.00 0.00 C ATOM 374 NE ARG A 34 -5.633 -9.483 -10.168 1.00 0.00 N ATOM 375 CZ ARG A 34 -6.663 -10.213 -9.839 1.00 0.00 C ATOM 376 NH1 ARG A 34 -6.709 -10.787 -8.667 1.00 0.00 N ATOM 377 NH2 ARG A 34 -7.648 -10.371 -10.681 1.00 0.00 N ATOM 0 H ARG A 34 -1.216 -5.763 -8.364 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.671 -6.969 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.700 -7.889 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.453 -6.360 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.895 -6.468 -10.514 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.051 -7.886 -11.102 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.830 -8.539 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.216 -7.720 -9.132 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.053 -9.749 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.940 -10.665 -8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.514 -11.358 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.613 -9.924 -11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.453 -10.942 -10.423 1.00 0.00 H new ATOM 391 N ALA A 35 -2.655 -3.931 -10.626 1.00 0.00 N ATOM 392 CA ALA A 35 -3.305 -2.807 -11.352 1.00 0.00 C ATOM 393 C ALA A 35 -2.590 -2.597 -12.681 1.00 0.00 C ATOM 394 O ALA A 35 -3.188 -2.252 -13.680 1.00 0.00 O ATOM 395 CB ALA A 35 -3.218 -1.532 -10.512 1.00 0.00 C ATOM 0 H ALA A 35 -2.080 -3.657 -9.829 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.354 -3.042 -11.532 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.695 -0.711 -11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.725 -1.688 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.172 -1.287 -10.330 1.00 0.00 H new ATOM 401 N SER A 36 -1.311 -2.822 -12.699 1.00 0.00 N ATOM 402 CA SER A 36 -0.541 -2.658 -13.961 1.00 0.00 C ATOM 403 C SER A 36 -0.607 -3.968 -14.752 1.00 0.00 C ATOM 404 O SER A 36 -0.479 -3.987 -15.960 1.00 0.00 O ATOM 405 CB SER A 36 0.918 -2.318 -13.633 1.00 0.00 C ATOM 406 OG SER A 36 1.622 -3.510 -13.320 1.00 0.00 O ATOM 0 H SER A 36 -0.761 -3.114 -11.891 1.00 0.00 H new ATOM 0 HA SER A 36 -0.966 -1.849 -14.555 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.386 -1.819 -14.481 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.961 -1.626 -12.792 1.00 0.00 H new ATOM 0 HG SER A 36 1.145 -3.996 -12.616 1.00 0.00 H new ATOM 412 N ASN A 37 -0.816 -5.068 -14.074 1.00 0.00 N ATOM 413 CA ASN A 37 -0.904 -6.383 -14.775 1.00 0.00 C ATOM 414 C ASN A 37 0.465 -6.772 -15.337 1.00 0.00 C ATOM 415 O ASN A 37 0.604 -7.762 -16.028 1.00 0.00 O ATOM 416 CB ASN A 37 -1.912 -6.280 -15.921 1.00 0.00 C ATOM 417 CG ASN A 37 -3.198 -5.628 -15.413 1.00 0.00 C ATOM 418 OD1 ASN A 37 -3.821 -6.122 -14.494 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.626 -4.531 -15.976 1.00 0.00 N ATOM 0 H ASN A 37 -0.930 -5.111 -13.061 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.227 -7.144 -14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.492 -5.692 -16.737 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.127 -7.271 -16.320 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.483 -4.089 -15.645 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.103 -4.116 -16.747 1.00 0.00 H new ATOM 426 N ASP A 38 1.477 -5.998 -15.059 1.00 0.00 N ATOM 427 CA ASP A 38 2.824 -6.305 -15.576 1.00 0.00 C ATOM 428 C ASP A 38 3.508 -7.344 -14.675 1.00 0.00 C ATOM 429 O ASP A 38 4.653 -7.692 -14.878 1.00 0.00 O ATOM 430 CB ASP A 38 3.606 -5.003 -15.556 1.00 0.00 C ATOM 431 CG ASP A 38 4.986 -5.208 -16.182 1.00 0.00 C ATOM 432 OD1 ASP A 38 5.181 -6.232 -16.815 1.00 0.00 O ATOM 433 OD2 ASP A 38 5.821 -4.335 -16.021 1.00 0.00 O ATOM 0 H ASP A 38 1.419 -5.156 -14.487 1.00 0.00 H new ATOM 0 HA ASP A 38 2.774 -6.717 -16.584 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.061 -4.234 -16.103 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.712 -4.650 -14.530 1.00 0.00 H new ATOM 438 N LYS A 39 2.813 -7.831 -13.677 1.00 0.00 N ATOM 439 CA LYS A 39 3.411 -8.842 -12.752 1.00 0.00 C ATOM 440 C LYS A 39 4.568 -8.220 -11.965 1.00 0.00 C ATOM 441 O LYS A 39 5.281 -8.896 -11.251 1.00 0.00 O ATOM 442 CB LYS A 39 3.924 -10.043 -13.551 1.00 0.00 C ATOM 443 CG LYS A 39 2.737 -10.894 -14.008 1.00 0.00 C ATOM 444 CD LYS A 39 2.336 -10.491 -15.430 1.00 0.00 C ATOM 445 CE LYS A 39 1.091 -11.274 -15.848 1.00 0.00 C ATOM 446 NZ LYS A 39 -0.107 -10.701 -15.173 1.00 0.00 N ATOM 0 H LYS A 39 1.851 -7.570 -13.462 1.00 0.00 H new ATOM 0 HA LYS A 39 2.642 -9.174 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.495 -9.702 -14.415 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.599 -10.640 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.001 -11.951 -13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.895 -10.757 -13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.137 -9.420 -15.474 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.155 -10.692 -16.121 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.967 -11.230 -16.930 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.203 -12.325 -15.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.968 -11.105 -15.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.077 -10.930 -14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.113 -9.668 -15.295 1.00 0.00 H new ATOM 460 N TYR A 40 4.768 -6.943 -12.111 1.00 0.00 N ATOM 461 CA TYR A 40 5.865 -6.257 -11.424 1.00 0.00 C ATOM 462 C TYR A 40 5.927 -4.842 -11.986 1.00 0.00 C ATOM 463 O TYR A 40 5.011 -4.380 -12.634 1.00 0.00 O ATOM 464 CB TYR A 40 7.145 -6.988 -11.772 1.00 0.00 C ATOM 465 CG TYR A 40 7.219 -7.125 -13.261 1.00 0.00 C ATOM 466 CD1 TYR A 40 7.490 -6.008 -14.059 1.00 0.00 C ATOM 467 CD2 TYR A 40 7.005 -8.366 -13.844 1.00 0.00 C ATOM 468 CE1 TYR A 40 7.545 -6.140 -15.444 1.00 0.00 C ATOM 469 CE2 TYR A 40 7.060 -8.507 -15.229 1.00 0.00 C ATOM 470 CZ TYR A 40 7.331 -7.394 -16.034 1.00 0.00 C ATOM 471 OH TYR A 40 7.385 -7.530 -17.407 1.00 0.00 O ATOM 0 H TYR A 40 4.193 -6.339 -12.698 1.00 0.00 H new ATOM 0 HA TYR A 40 5.726 -6.234 -10.343 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.009 -6.439 -11.398 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.162 -7.970 -11.299 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.656 -5.044 -13.601 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.795 -9.224 -13.223 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.752 -5.279 -16.062 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.894 -9.474 -15.681 1.00 0.00 H new ATOM 0 HH TYR A 40 6.595 -7.112 -17.808 1.00 0.00 H new ATOM 481 N SER A 41 7.005 -4.169 -11.771 1.00 0.00 N ATOM 482 CA SER A 41 7.159 -2.815 -12.308 1.00 0.00 C ATOM 483 C SER A 41 6.344 -1.827 -11.498 1.00 0.00 C ATOM 484 O SER A 41 6.085 -0.744 -11.945 1.00 0.00 O ATOM 485 CB SER A 41 6.716 -2.778 -13.772 1.00 0.00 C ATOM 486 OG SER A 41 7.805 -2.366 -14.587 1.00 0.00 O ATOM 0 H SER A 41 7.802 -4.511 -11.233 1.00 0.00 H new ATOM 0 HA SER A 41 8.211 -2.535 -12.245 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.368 -3.763 -14.083 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.878 -2.091 -13.892 1.00 0.00 H new ATOM 0 HG SER A 41 7.522 -2.344 -15.525 1.00 0.00 H new ATOM 492 N SER A 42 5.965 -2.197 -10.309 1.00 0.00 N ATOM 493 CA SER A 42 5.153 -1.274 -9.442 1.00 0.00 C ATOM 494 C SER A 42 5.637 -1.315 -7.981 1.00 0.00 C ATOM 495 O SER A 42 5.203 -2.139 -7.202 1.00 0.00 O ATOM 496 CB SER A 42 3.682 -1.701 -9.482 1.00 0.00 C ATOM 497 OG SER A 42 3.550 -2.867 -10.280 1.00 0.00 O ATOM 0 H SER A 42 6.179 -3.102 -9.890 1.00 0.00 H new ATOM 0 HA SER A 42 5.270 -0.260 -9.824 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.321 -1.896 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.070 -0.897 -9.890 1.00 0.00 H new ATOM 0 HG SER A 42 2.948 -2.683 -11.031 1.00 0.00 H new ATOM 503 N ARG A 43 6.532 -0.434 -7.601 1.00 0.00 N ATOM 504 CA ARG A 43 7.033 -0.436 -6.183 1.00 0.00 C ATOM 505 C ARG A 43 6.685 0.869 -5.449 1.00 0.00 C ATOM 506 O ARG A 43 5.760 1.572 -5.797 1.00 0.00 O ATOM 507 CB ARG A 43 8.553 -0.624 -6.187 1.00 0.00 C ATOM 508 CG ARG A 43 8.910 -1.907 -5.434 1.00 0.00 C ATOM 509 CD ARG A 43 9.678 -1.554 -4.157 1.00 0.00 C ATOM 510 NE ARG A 43 10.848 -0.698 -4.500 1.00 0.00 N ATOM 511 CZ ARG A 43 11.818 -1.179 -5.229 1.00 0.00 C ATOM 512 NH1 ARG A 43 11.926 -2.468 -5.405 1.00 0.00 N ATOM 513 NH2 ARG A 43 12.682 -0.371 -5.781 1.00 0.00 N ATOM 0 H ARG A 43 6.937 0.282 -8.204 1.00 0.00 H new ATOM 0 HA ARG A 43 6.545 -1.256 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.921 -0.677 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.037 0.232 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.004 -2.459 -5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.515 -2.556 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.024 -1.031 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.013 -2.464 -3.659 1.00 0.00 H new ATOM 0 HE ARG A 43 10.891 0.264 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.252 -3.100 -4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.684 -2.843 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.599 0.636 -5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.440 -0.747 -6.351 1.00 0.00 H new ATOM 527 N VAL A 44 7.410 1.147 -4.392 1.00 0.00 N ATOM 528 CA VAL A 44 7.143 2.358 -3.542 1.00 0.00 C ATOM 529 C VAL A 44 7.941 3.590 -4.024 1.00 0.00 C ATOM 530 O VAL A 44 8.873 3.474 -4.784 1.00 0.00 O ATOM 531 CB VAL A 44 7.486 1.976 -2.094 1.00 0.00 C ATOM 532 CG1 VAL A 44 8.512 2.930 -1.468 1.00 0.00 C ATOM 533 CG2 VAL A 44 6.203 1.973 -1.262 1.00 0.00 C ATOM 0 H VAL A 44 8.192 0.575 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 44 6.096 2.651 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 44 7.936 0.983 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.722 2.618 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.433 2.907 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.111 3.944 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.438 1.703 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.753 2.966 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.502 1.248 -1.677 1.00 0.00 H new ATOM 543 N VAL A 45 7.573 4.772 -3.566 1.00 0.00 N ATOM 544 CA VAL A 45 8.292 6.016 -3.986 1.00 0.00 C ATOM 545 C VAL A 45 8.405 6.999 -2.782 1.00 0.00 C ATOM 546 O VAL A 45 9.436 7.072 -2.146 1.00 0.00 O ATOM 547 CB VAL A 45 7.556 6.692 -5.162 1.00 0.00 C ATOM 548 CG1 VAL A 45 8.530 6.959 -6.278 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.509 5.803 -5.798 1.00 0.00 C ATOM 0 H VAL A 45 6.801 4.923 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 45 9.295 5.746 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 45 7.100 7.587 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.010 7.436 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.322 7.616 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.964 6.018 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.028 6.336 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.983 4.900 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.761 5.532 -5.053 1.00 0.00 H new ATOM 559 N ARG A 46 7.354 7.737 -2.446 1.00 0.00 N ATOM 560 CA ARG A 46 7.423 8.682 -1.264 1.00 0.00 C ATOM 561 C ARG A 46 6.096 8.644 -0.460 1.00 0.00 C ATOM 562 O ARG A 46 5.187 9.412 -0.710 1.00 0.00 O ATOM 563 CB ARG A 46 7.667 10.106 -1.768 1.00 0.00 C ATOM 564 CG ARG A 46 8.063 11.001 -0.593 1.00 0.00 C ATOM 565 CD ARG A 46 8.245 12.439 -1.083 1.00 0.00 C ATOM 566 NE ARG A 46 9.080 12.442 -2.317 1.00 0.00 N ATOM 567 CZ ARG A 46 9.056 13.471 -3.119 1.00 0.00 C ATOM 568 NH1 ARG A 46 9.304 14.667 -2.654 1.00 0.00 N ATOM 569 NH2 ARG A 46 8.785 13.308 -4.384 1.00 0.00 N ATOM 0 H ARG A 46 6.459 7.725 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 46 8.239 8.371 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.455 10.107 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.768 10.493 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.296 10.964 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.987 10.640 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.274 12.890 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.720 13.041 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 46 9.671 11.639 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.516 14.796 -1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.285 15.472 -3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.591 12.375 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.767 14.113 -5.010 1.00 0.00 H new ATOM 583 N VAL A 47 5.975 7.732 0.491 1.00 0.00 N ATOM 584 CA VAL A 47 4.711 7.596 1.311 1.00 0.00 C ATOM 585 C VAL A 47 4.313 8.949 1.908 1.00 0.00 C ATOM 586 O VAL A 47 5.096 9.877 1.953 1.00 0.00 O ATOM 587 CB VAL A 47 4.963 6.568 2.419 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.330 7.013 3.738 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.355 5.226 2.008 1.00 0.00 C ATOM 0 H VAL A 47 6.708 7.067 0.737 1.00 0.00 H new ATOM 0 HA VAL A 47 3.890 7.260 0.678 1.00 0.00 H new ATOM 0 HB VAL A 47 6.040 6.475 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.525 6.264 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.759 7.967 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.254 7.125 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.532 4.491 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.282 5.344 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.817 4.886 1.082 1.00 0.00 H new ATOM 599 N ILE A 48 3.092 9.064 2.375 1.00 0.00 N ATOM 600 CA ILE A 48 2.648 10.340 2.967 1.00 0.00 C ATOM 601 C ILE A 48 2.198 10.086 4.410 1.00 0.00 C ATOM 602 O ILE A 48 2.455 10.888 5.287 1.00 0.00 O ATOM 603 CB ILE A 48 1.495 10.879 2.123 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.058 11.740 0.992 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.540 11.724 2.975 1.00 0.00 C ATOM 606 CD1 ILE A 48 1.643 11.144 -0.354 1.00 0.00 C ATOM 0 H ILE A 48 2.392 8.322 2.366 1.00 0.00 H new ATOM 0 HA ILE A 48 3.455 11.072 2.981 1.00 0.00 H new ATOM 0 HB ILE A 48 0.940 10.035 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.689 12.762 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.145 11.787 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.272 12.096 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.129 11.111 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.083 12.566 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.043 11.756 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.034 10.130 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.555 11.120 -0.422 1.00 0.00 H new ATOM 618 N SER A 49 1.538 8.978 4.674 1.00 0.00 N ATOM 619 CA SER A 49 1.097 8.712 6.081 1.00 0.00 C ATOM 620 C SER A 49 0.002 7.648 6.120 1.00 0.00 C ATOM 621 O SER A 49 -0.642 7.353 5.133 1.00 0.00 O ATOM 622 CB SER A 49 0.549 10.001 6.698 1.00 0.00 C ATOM 623 OG SER A 49 -0.371 9.679 7.730 1.00 0.00 O ATOM 0 H SER A 49 1.291 8.262 3.991 1.00 0.00 H new ATOM 0 HA SER A 49 1.959 8.355 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.366 10.601 7.099 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.058 10.602 5.933 1.00 0.00 H new ATOM 0 HG SER A 49 -0.720 10.505 8.126 1.00 0.00 H new ATOM 629 N ALA A 50 -0.209 7.082 7.275 1.00 0.00 N ATOM 630 CA ALA A 50 -1.260 6.039 7.433 1.00 0.00 C ATOM 631 C ALA A 50 -1.962 6.237 8.784 1.00 0.00 C ATOM 632 O ALA A 50 -1.386 6.764 9.717 1.00 0.00 O ATOM 633 CB ALA A 50 -0.619 4.653 7.391 1.00 0.00 C ATOM 0 H ALA A 50 0.308 7.300 8.126 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.985 6.124 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.390 3.892 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.113 4.515 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.105 4.562 8.201 1.00 0.00 H new ATOM 639 N LYS A 51 -3.196 5.826 8.900 1.00 0.00 N ATOM 640 CA LYS A 51 -3.926 5.999 10.191 1.00 0.00 C ATOM 641 C LYS A 51 -5.014 4.936 10.309 1.00 0.00 C ATOM 642 O LYS A 51 -5.420 4.336 9.335 1.00 0.00 O ATOM 643 CB LYS A 51 -4.565 7.388 10.233 1.00 0.00 C ATOM 644 CG LYS A 51 -3.649 8.395 9.536 1.00 0.00 C ATOM 645 CD LYS A 51 -4.259 9.795 9.632 1.00 0.00 C ATOM 646 CE LYS A 51 -5.732 9.742 9.223 1.00 0.00 C ATOM 647 NZ LYS A 51 -6.325 11.105 9.327 1.00 0.00 N ATOM 0 H LYS A 51 -3.731 5.377 8.157 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.226 5.895 11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.538 7.367 9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.735 7.690 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.662 8.385 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.514 8.117 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.167 10.174 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.716 10.484 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.824 9.370 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.274 9.048 9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.327 11.070 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.249 11.443 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.813 11.755 8.697 1.00 0.00 H new ATOM 661 N ARG A 52 -5.485 4.700 11.499 1.00 0.00 N ATOM 662 CA ARG A 52 -6.550 3.671 11.682 1.00 0.00 C ATOM 663 C ARG A 52 -7.727 4.264 12.466 1.00 0.00 C ATOM 664 O ARG A 52 -7.651 4.451 13.663 1.00 0.00 O ATOM 665 CB ARG A 52 -5.994 2.467 12.464 1.00 0.00 C ATOM 666 CG ARG A 52 -5.588 2.922 13.866 1.00 0.00 C ATOM 667 CD ARG A 52 -4.483 2.010 14.402 1.00 0.00 C ATOM 668 NE ARG A 52 -4.257 2.300 15.848 1.00 0.00 N ATOM 669 CZ ARG A 52 -3.799 1.365 16.637 1.00 0.00 C ATOM 670 NH1 ARG A 52 -3.325 0.259 16.133 1.00 0.00 N ATOM 671 NH2 ARG A 52 -3.814 1.540 17.930 1.00 0.00 N ATOM 0 H ARG A 52 -5.182 5.171 12.351 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.888 3.348 10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.746 1.681 12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.135 2.045 11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.239 3.954 13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.450 2.895 14.532 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.763 0.965 14.269 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.562 2.167 13.840 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.460 3.228 16.220 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.312 0.124 15.122 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.968 -0.470 16.750 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.183 2.406 18.323 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.457 0.811 18.547 1.00 0.00 H new ATOM 685 N GLN A 53 -8.823 4.538 11.806 1.00 0.00 N ATOM 686 CA GLN A 53 -10.004 5.089 12.528 1.00 0.00 C ATOM 687 C GLN A 53 -10.603 3.972 13.385 1.00 0.00 C ATOM 688 O GLN A 53 -10.327 2.809 13.172 1.00 0.00 O ATOM 689 CB GLN A 53 -11.046 5.583 11.522 1.00 0.00 C ATOM 690 CG GLN A 53 -11.107 7.112 11.560 1.00 0.00 C ATOM 691 CD GLN A 53 -11.917 7.560 12.779 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.399 8.215 13.660 1.00 0.00 O ATOM 693 NE2 GLN A 53 -13.178 7.231 12.865 1.00 0.00 N ATOM 0 H GLN A 53 -8.949 4.404 10.803 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.702 5.927 13.156 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.788 5.243 10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.024 5.163 11.759 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.100 7.526 11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.565 7.491 10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.613 6.681 12.125 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.728 7.524 13.673 1.00 0.00 H new ATOM 702 N LEU A 54 -11.409 4.302 14.357 1.00 0.00 N ATOM 703 CA LEU A 54 -11.988 3.230 15.216 1.00 0.00 C ATOM 704 C LEU A 54 -13.507 3.381 15.332 1.00 0.00 C ATOM 705 O LEU A 54 -14.011 4.036 16.222 1.00 0.00 O ATOM 706 CB LEU A 54 -11.367 3.310 16.612 1.00 0.00 C ATOM 707 CG LEU A 54 -10.014 2.596 16.613 1.00 0.00 C ATOM 708 CD1 LEU A 54 -8.952 3.513 16.006 1.00 0.00 C ATOM 709 CD2 LEU A 54 -9.624 2.244 18.051 1.00 0.00 C ATOM 0 H LEU A 54 -11.689 5.254 14.592 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.768 2.265 14.759 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.240 4.352 16.905 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.032 2.852 17.344 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.085 1.683 16.022 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.988 3.004 16.007 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.229 3.763 14.982 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.880 4.427 16.596 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.660 1.735 18.052 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.553 3.157 18.643 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.381 1.589 18.483 1.00 0.00 H new ATOM 721 N VAL A 55 -14.241 2.744 14.461 1.00 0.00 N ATOM 722 CA VAL A 55 -15.723 2.806 14.535 1.00 0.00 C ATOM 723 C VAL A 55 -16.215 1.367 14.686 1.00 0.00 C ATOM 724 O VAL A 55 -15.474 0.520 15.146 1.00 0.00 O ATOM 725 CB VAL A 55 -16.271 3.446 13.253 1.00 0.00 C ATOM 726 CG1 VAL A 55 -16.339 2.409 12.127 1.00 0.00 C ATOM 727 CG2 VAL A 55 -17.672 4.007 13.518 1.00 0.00 C ATOM 0 H VAL A 55 -13.872 2.179 13.696 1.00 0.00 H new ATOM 0 HA VAL A 55 -16.064 3.411 15.375 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.604 4.253 12.949 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.730 2.878 11.224 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -15.340 2.019 11.931 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.996 1.591 12.425 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -18.060 4.461 12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -18.334 3.200 13.831 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.620 4.760 14.305 1.00 0.00 H new ATOM 737 N SER A 56 -17.428 1.060 14.306 1.00 0.00 N ATOM 738 CA SER A 56 -17.886 -0.357 14.441 1.00 0.00 C ATOM 739 C SER A 56 -16.760 -1.287 13.979 1.00 0.00 C ATOM 740 O SER A 56 -16.623 -2.395 14.446 1.00 0.00 O ATOM 741 CB SER A 56 -19.125 -0.604 13.567 1.00 0.00 C ATOM 742 OG SER A 56 -18.774 -0.452 12.199 1.00 0.00 O ATOM 0 H SER A 56 -18.109 1.712 13.916 1.00 0.00 H new ATOM 0 HA SER A 56 -18.141 -0.552 15.483 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.515 -1.606 13.745 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.916 0.098 13.831 1.00 0.00 H new ATOM 0 HG SER A 56 -19.563 -0.611 11.639 1.00 0.00 H new ATOM 748 N GLY A 57 -15.941 -0.820 13.080 1.00 0.00 N ATOM 749 CA GLY A 57 -14.804 -1.639 12.583 1.00 0.00 C ATOM 750 C GLY A 57 -13.601 -0.701 12.413 1.00 0.00 C ATOM 751 O GLY A 57 -13.754 0.503 12.493 1.00 0.00 O ATOM 0 H GLY A 57 -16.013 0.108 12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.571 -2.438 13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.058 -2.113 11.635 1.00 0.00 H new ATOM 755 N ILE A 58 -12.408 -1.197 12.183 1.00 0.00 N ATOM 756 CA ILE A 58 -11.275 -0.251 12.027 1.00 0.00 C ATOM 757 C ILE A 58 -11.202 0.256 10.606 1.00 0.00 C ATOM 758 O ILE A 58 -11.332 -0.500 9.670 1.00 0.00 O ATOM 759 CB ILE A 58 -9.979 -0.948 12.274 1.00 0.00 C ATOM 760 CG1 ILE A 58 -10.039 -1.658 13.612 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.856 0.097 12.264 1.00 0.00 C ATOM 762 CD1 ILE A 58 -8.624 -1.953 14.035 1.00 0.00 C ATOM 0 H ILE A 58 -12.180 -2.188 12.100 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.437 0.562 12.735 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.787 -1.690 11.499 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.538 -1.035 14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.614 -2.580 13.531 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.900 -0.395 12.443 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.832 0.596 11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.037 0.834 13.047 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.631 -2.465 14.997 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.146 -2.588 13.289 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.069 -1.019 14.125 1.00 0.00 H new ATOM 774 N LYS A 59 -10.913 1.507 10.435 1.00 0.00 N ATOM 775 CA LYS A 59 -10.743 2.033 9.063 1.00 0.00 C ATOM 776 C LYS A 59 -9.244 2.229 8.872 1.00 0.00 C ATOM 777 O LYS A 59 -8.545 2.593 9.790 1.00 0.00 O ATOM 778 CB LYS A 59 -11.482 3.365 8.891 1.00 0.00 C ATOM 779 CG LYS A 59 -12.602 3.476 9.929 1.00 0.00 C ATOM 780 CD LYS A 59 -13.434 4.730 9.650 1.00 0.00 C ATOM 781 CE LYS A 59 -14.903 4.338 9.471 1.00 0.00 C ATOM 782 NZ LYS A 59 -15.237 4.309 8.020 1.00 0.00 N ATOM 0 H LYS A 59 -10.787 2.188 11.184 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.157 1.346 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.785 4.195 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.898 3.433 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.236 2.590 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.179 3.523 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.333 5.437 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.068 5.230 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.086 3.360 9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.546 5.050 9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.235 4.043 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.077 5.251 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.632 3.613 7.538 1.00 0.00 H new ATOM 796 N TYR A 60 -8.742 1.963 7.713 1.00 0.00 N ATOM 797 CA TYR A 60 -7.282 2.094 7.483 1.00 0.00 C ATOM 798 C TYR A 60 -7.019 3.152 6.421 1.00 0.00 C ATOM 799 O TYR A 60 -7.002 2.861 5.244 1.00 0.00 O ATOM 800 CB TYR A 60 -6.745 0.759 6.995 1.00 0.00 C ATOM 801 CG TYR A 60 -6.215 -0.082 8.149 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.484 0.265 9.485 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.447 -1.227 7.878 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.985 -0.523 10.528 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.955 -2.011 8.923 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.222 -1.660 10.249 1.00 0.00 C ATOM 807 OH TYR A 60 -4.734 -2.435 11.281 1.00 0.00 O ATOM 0 H TYR A 60 -9.282 1.657 6.903 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.790 2.386 8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.535 0.214 6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.949 0.928 6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.076 1.141 9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.236 -1.502 6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.190 -0.251 11.553 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.367 -2.891 8.706 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.955 -3.375 11.117 1.00 0.00 H new ATOM 817 N ILE A 61 -6.787 4.369 6.804 1.00 0.00 N ATOM 818 CA ILE A 61 -6.505 5.385 5.776 1.00 0.00 C ATOM 819 C ILE A 61 -5.042 5.241 5.406 1.00 0.00 C ATOM 820 O ILE A 61 -4.195 5.042 6.246 1.00 0.00 O ATOM 821 CB ILE A 61 -6.743 6.779 6.319 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.765 6.736 7.459 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.259 7.687 5.200 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.970 5.895 7.030 1.00 0.00 C ATOM 0 H ILE A 61 -6.781 4.697 7.770 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.158 5.242 4.915 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.802 7.173 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.311 6.310 8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.085 7.746 7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.429 8.689 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.521 7.732 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.195 7.287 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.698 5.863 7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.429 6.340 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.642 4.882 6.797 1.00 0.00 H new ATOM 836 N LEU A 62 -4.751 5.260 4.163 1.00 0.00 N ATOM 837 CA LEU A 62 -3.386 5.048 3.725 1.00 0.00 C ATOM 838 C LEU A 62 -3.017 6.033 2.637 1.00 0.00 C ATOM 839 O LEU A 62 -3.741 6.226 1.682 1.00 0.00 O ATOM 840 CB LEU A 62 -3.429 3.695 3.096 1.00 0.00 C ATOM 841 CG LEU A 62 -2.096 2.971 3.061 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.979 3.949 2.790 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.872 2.261 4.377 1.00 0.00 C ATOM 0 H LEU A 62 -5.424 5.418 3.413 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.675 5.155 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.147 3.080 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.800 3.795 2.076 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.107 2.234 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.028 3.418 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.146 4.435 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.955 4.702 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.914 1.741 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.868 2.990 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.672 1.540 4.542 1.00 0.00 H new ATOM 855 N GLN A 63 -1.856 6.549 2.703 1.00 0.00 N ATOM 856 CA GLN A 63 -1.370 7.377 1.623 1.00 0.00 C ATOM 857 C GLN A 63 -0.230 6.562 1.151 1.00 0.00 C ATOM 858 O GLN A 63 0.369 5.840 1.922 1.00 0.00 O ATOM 859 CB GLN A 63 -0.870 8.715 2.082 1.00 0.00 C ATOM 860 CG GLN A 63 -1.932 9.429 2.916 1.00 0.00 C ATOM 861 CD GLN A 63 -3.209 9.587 2.090 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.215 9.331 0.901 1.00 0.00 O ATOM 863 NE2 GLN A 63 -4.301 10.001 2.671 1.00 0.00 N ATOM 0 H GLN A 63 -1.208 6.427 3.482 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.140 7.610 0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.038 8.587 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.606 9.326 1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.141 8.860 3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.566 10.407 3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.298 10.216 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.158 10.109 2.128 1.00 0.00 H new ATOM 872 N VAL A 64 0.091 6.611 -0.058 1.00 0.00 N ATOM 873 CA VAL A 64 1.189 5.733 -0.455 1.00 0.00 C ATOM 874 C VAL A 64 1.981 6.330 -1.569 1.00 0.00 C ATOM 875 O VAL A 64 1.693 7.375 -2.122 1.00 0.00 O ATOM 876 CB VAL A 64 0.684 4.300 -0.855 1.00 0.00 C ATOM 877 CG1 VAL A 64 -0.670 3.959 -0.213 1.00 0.00 C ATOM 878 CG2 VAL A 64 0.535 4.211 -2.362 1.00 0.00 C ATOM 0 H VAL A 64 -0.329 7.192 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 64 1.836 5.627 0.416 1.00 0.00 H new ATOM 0 HB VAL A 64 1.426 3.588 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.976 2.959 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.577 3.993 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.418 4.683 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.185 3.216 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.186 4.955 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.499 4.398 -2.835 1.00 0.00 H new ATOM 888 N GLU A 65 3.013 5.648 -1.831 1.00 0.00 N ATOM 889 CA GLU A 65 3.973 6.052 -2.811 1.00 0.00 C ATOM 890 C GLU A 65 4.143 4.947 -3.832 1.00 0.00 C ATOM 891 O GLU A 65 4.489 3.840 -3.483 1.00 0.00 O ATOM 892 CB GLU A 65 5.250 6.198 -2.003 1.00 0.00 C ATOM 893 CG GLU A 65 5.411 5.007 -1.037 1.00 0.00 C ATOM 894 CD GLU A 65 6.765 5.063 -0.324 1.00 0.00 C ATOM 895 OE1 GLU A 65 7.598 5.846 -0.730 1.00 0.00 O ATOM 896 OE2 GLU A 65 6.943 4.321 0.628 1.00 0.00 O ATOM 0 H GLU A 65 3.238 4.767 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 65 3.694 6.958 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.108 6.250 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.228 7.131 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.607 5.019 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.324 4.071 -1.589 1.00 0.00 H new ATOM 903 N ILE A 66 3.903 5.194 -5.083 1.00 0.00 N ATOM 904 CA ILE A 66 4.074 4.088 -6.025 1.00 0.00 C ATOM 905 C ILE A 66 4.663 4.552 -7.349 1.00 0.00 C ATOM 906 O ILE A 66 4.215 5.489 -7.984 1.00 0.00 O ATOM 907 CB ILE A 66 2.733 3.415 -6.289 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.608 4.094 -5.492 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.810 1.941 -5.898 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.357 3.197 -5.450 1.00 0.00 C ATOM 0 H ILE A 66 3.606 6.087 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 66 4.769 3.382 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 66 2.510 3.507 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.948 4.301 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.360 5.053 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.849 1.463 -6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.583 1.448 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.053 1.858 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.429 3.695 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.008 3.012 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.605 2.249 -4.973 1.00 0.00 H new ATOM 922 N GLY A 67 5.667 3.844 -7.749 1.00 0.00 N ATOM 923 CA GLY A 67 6.364 4.100 -9.024 1.00 0.00 C ATOM 924 C GLY A 67 6.562 2.726 -9.677 1.00 0.00 C ATOM 925 O GLY A 67 5.801 1.811 -9.415 1.00 0.00 O ATOM 0 H GLY A 67 6.050 3.062 -7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.776 4.757 -9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.321 4.593 -8.854 1.00 0.00 H new ATOM 929 N ARG A 68 7.555 2.523 -10.502 1.00 0.00 N ATOM 930 CA ARG A 68 7.690 1.170 -11.093 1.00 0.00 C ATOM 931 C ARG A 68 8.936 0.462 -10.567 1.00 0.00 C ATOM 932 O ARG A 68 9.678 0.993 -9.783 1.00 0.00 O ATOM 933 CB ARG A 68 7.768 1.283 -12.616 1.00 0.00 C ATOM 934 CG ARG A 68 6.801 2.366 -13.097 1.00 0.00 C ATOM 935 CD ARG A 68 5.360 1.909 -12.858 1.00 0.00 C ATOM 936 NE ARG A 68 4.430 2.783 -13.627 1.00 0.00 N ATOM 937 CZ ARG A 68 4.561 4.079 -13.578 1.00 0.00 C ATOM 938 NH1 ARG A 68 5.116 4.640 -12.538 1.00 0.00 N ATOM 939 NH2 ARG A 68 4.138 4.817 -14.568 1.00 0.00 N ATOM 0 H ARG A 68 8.254 3.211 -10.782 1.00 0.00 H new ATOM 0 HA ARG A 68 6.817 0.582 -10.809 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.785 1.527 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.518 0.327 -13.076 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.990 3.299 -12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.959 2.565 -14.157 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.240 0.871 -13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.124 1.954 -11.795 1.00 0.00 H new ATOM 0 HE ARG A 68 3.690 2.367 -14.192 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.447 4.064 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.219 5.654 -12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.704 4.380 -15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.241 5.831 -14.529 1.00 0.00 H new ATOM 953 N THR A 69 9.146 -0.752 -11.001 1.00 0.00 N ATOM 954 CA THR A 69 10.337 -1.547 -10.572 1.00 0.00 C ATOM 955 C THR A 69 10.368 -2.822 -11.398 1.00 0.00 C ATOM 956 O THR A 69 9.935 -3.863 -10.959 1.00 0.00 O ATOM 957 CB THR A 69 10.247 -1.840 -9.089 1.00 0.00 C ATOM 958 OG1 THR A 69 11.286 -2.735 -8.718 1.00 0.00 O ATOM 959 CG2 THR A 69 8.889 -2.445 -8.736 1.00 0.00 C ATOM 0 H THR A 69 8.528 -1.238 -11.650 1.00 0.00 H new ATOM 0 HA THR A 69 11.261 -0.993 -10.736 1.00 0.00 H new ATOM 0 HB THR A 69 10.357 -0.904 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.136 -3.048 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.848 -2.647 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.098 -1.745 -9.004 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.751 -3.376 -9.286 1.00 0.00 H new ATOM 967 N THR A 70 10.849 -2.701 -12.619 1.00 0.00 N ATOM 968 CA THR A 70 10.898 -3.858 -13.583 1.00 0.00 C ATOM 969 C THR A 70 10.613 -5.197 -12.889 1.00 0.00 C ATOM 970 O THR A 70 9.478 -5.502 -12.590 1.00 0.00 O ATOM 971 CB THR A 70 12.254 -3.910 -14.310 1.00 0.00 C ATOM 972 OG1 THR A 70 12.436 -5.201 -14.875 1.00 0.00 O ATOM 973 CG2 THR A 70 13.406 -3.606 -13.352 1.00 0.00 C ATOM 0 H THR A 70 11.218 -1.828 -12.997 1.00 0.00 H new ATOM 0 HA THR A 70 10.111 -3.694 -14.319 1.00 0.00 H new ATOM 0 HB THR A 70 12.253 -3.154 -15.095 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.298 -5.236 -15.340 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.351 -3.650 -13.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.275 -2.609 -12.931 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.414 -4.342 -12.548 1.00 0.00 H new ATOM 1125 N GLU A 82 14.702 -2.687 -9.895 1.00 0.00 N ATOM 1126 CA GLU A 82 14.795 -1.228 -10.197 1.00 0.00 C ATOM 1127 C GLU A 82 13.629 -0.732 -11.071 1.00 0.00 C ATOM 1128 O GLU A 82 13.172 -1.382 -11.998 1.00 0.00 O ATOM 1129 CB GLU A 82 16.119 -0.926 -10.912 1.00 0.00 C ATOM 1130 CG GLU A 82 17.139 -2.035 -10.628 1.00 0.00 C ATOM 1131 CD GLU A 82 16.958 -3.165 -11.643 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.607 -2.870 -12.773 1.00 0.00 O ATOM 1133 OE2 GLU A 82 17.174 -4.307 -11.273 1.00 0.00 O ATOM 0 HA GLU A 82 14.746 -0.702 -9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.950 -0.843 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.511 0.034 -10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.152 -1.637 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.006 -2.416 -9.616 1.00 0.00 H new ATOM 1140 N PHE A 83 13.176 0.449 -10.758 1.00 0.00 N ATOM 1141 CA PHE A 83 12.073 1.112 -11.503 1.00 0.00 C ATOM 1142 C PHE A 83 12.192 0.866 -13.009 1.00 0.00 C ATOM 1143 O PHE A 83 11.433 0.111 -13.579 1.00 0.00 O ATOM 1144 CB PHE A 83 12.158 2.586 -11.198 1.00 0.00 C ATOM 1145 CG PHE A 83 11.406 2.844 -9.919 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.677 2.081 -8.768 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.435 3.839 -9.880 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.968 2.323 -7.588 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.728 4.076 -8.702 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.991 3.323 -7.561 1.00 0.00 C ATOM 0 H PHE A 83 13.542 1.003 -9.984 1.00 0.00 H new ATOM 0 HA PHE A 83 11.110 0.704 -11.195 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.199 2.894 -11.096 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.731 3.169 -12.014 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.432 1.309 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.229 4.428 -10.762 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.174 1.741 -6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.973 4.847 -8.674 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.439 3.512 -6.652 1.00 0.00 H new ATOM 1160 N HIS A 84 13.134 1.487 -13.664 1.00 0.00 N ATOM 1161 CA HIS A 84 13.278 1.260 -15.124 1.00 0.00 C ATOM 1162 C HIS A 84 14.687 1.644 -15.551 1.00 0.00 C ATOM 1163 O HIS A 84 14.898 2.389 -16.488 1.00 0.00 O ATOM 1164 CB HIS A 84 12.247 2.066 -15.893 1.00 0.00 C ATOM 1165 CG HIS A 84 11.723 1.247 -17.041 1.00 0.00 C ATOM 1166 ND1 HIS A 84 10.815 0.215 -16.858 1.00 0.00 N ATOM 1167 CD2 HIS A 84 11.970 1.294 -18.390 1.00 0.00 C ATOM 1168 CE1 HIS A 84 10.552 -0.312 -18.068 1.00 0.00 C ATOM 1169 NE2 HIS A 84 11.230 0.309 -19.037 1.00 0.00 N ATOM 0 H HIS A 84 13.804 2.137 -13.253 1.00 0.00 H new ATOM 0 HA HIS A 84 13.109 0.206 -15.345 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.428 2.352 -15.233 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.694 2.988 -16.265 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.638 1.990 -18.876 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.875 -1.137 -18.235 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.210 0.105 -20.036 1.00 0.00 H new ATOM 1177 N ASP A 85 15.645 1.108 -14.862 1.00 0.00 N ATOM 1178 CA ASP A 85 17.071 1.382 -15.184 1.00 0.00 C ATOM 1179 C ASP A 85 17.379 2.887 -15.120 1.00 0.00 C ATOM 1180 O ASP A 85 18.438 3.316 -15.532 1.00 0.00 O ATOM 1181 CB ASP A 85 17.377 0.867 -16.591 1.00 0.00 C ATOM 1182 CG ASP A 85 18.848 0.456 -16.677 1.00 0.00 C ATOM 1183 OD1 ASP A 85 19.472 0.344 -15.634 1.00 0.00 O ATOM 1184 OD2 ASP A 85 19.325 0.260 -17.782 1.00 0.00 O ATOM 0 H ASP A 85 15.501 0.478 -14.073 1.00 0.00 H new ATOM 0 HA ASP A 85 17.692 0.873 -14.447 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.737 0.017 -16.825 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.161 1.641 -17.328 1.00 0.00 H new ATOM 1189 N GLU A 86 16.482 3.698 -14.613 1.00 0.00 N ATOM 1190 CA GLU A 86 16.772 5.167 -14.547 1.00 0.00 C ATOM 1191 C GLU A 86 15.492 5.954 -14.231 1.00 0.00 C ATOM 1192 O GLU A 86 14.398 5.444 -14.364 1.00 0.00 O ATOM 1193 CB GLU A 86 17.327 5.636 -15.899 1.00 0.00 C ATOM 1194 CG GLU A 86 16.523 5.010 -17.042 1.00 0.00 C ATOM 1195 CD GLU A 86 17.409 4.888 -18.281 1.00 0.00 C ATOM 1196 OE1 GLU A 86 18.419 5.572 -18.333 1.00 0.00 O ATOM 1197 OE2 GLU A 86 17.064 4.114 -19.158 1.00 0.00 O ATOM 0 H GLU A 86 15.574 3.413 -14.247 1.00 0.00 H new ATOM 0 HA GLU A 86 17.502 5.345 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.280 6.723 -15.963 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.377 5.357 -15.987 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.155 4.027 -16.747 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.650 5.623 -17.265 1.00 0.00 H new ATOM 1204 N PRO A 87 15.679 7.193 -13.835 1.00 0.00 N ATOM 1205 CA PRO A 87 14.567 8.138 -13.492 1.00 0.00 C ATOM 1206 C PRO A 87 13.950 8.707 -14.766 1.00 0.00 C ATOM 1207 O PRO A 87 12.784 9.056 -14.813 1.00 0.00 O ATOM 1208 CB PRO A 87 15.269 9.224 -12.688 1.00 0.00 C ATOM 1209 CG PRO A 87 16.737 9.202 -13.091 1.00 0.00 C ATOM 1210 CD PRO A 87 17.035 7.816 -13.675 1.00 0.00 C ATOM 0 HA PRO A 87 13.749 7.671 -12.943 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.828 10.200 -12.892 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.160 9.042 -11.619 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.944 9.980 -13.826 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.374 9.400 -12.229 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.557 7.888 -14.629 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.668 7.230 -13.009 1.00 0.00 H new ATOM 1218 N GLU A 88 14.735 8.799 -15.797 1.00 0.00 N ATOM 1219 CA GLU A 88 14.240 9.352 -17.091 1.00 0.00 C ATOM 1220 C GLU A 88 13.030 8.561 -17.601 1.00 0.00 C ATOM 1221 O GLU A 88 12.377 8.969 -18.541 1.00 0.00 O ATOM 1222 CB GLU A 88 15.362 9.279 -18.129 1.00 0.00 C ATOM 1223 CG GLU A 88 15.833 10.693 -18.469 1.00 0.00 C ATOM 1224 CD GLU A 88 16.895 11.133 -17.460 1.00 0.00 C ATOM 1225 OE1 GLU A 88 16.559 11.275 -16.296 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.030 11.321 -17.870 1.00 0.00 O ATOM 0 H GLU A 88 15.714 8.511 -15.802 1.00 0.00 H new ATOM 0 HA GLU A 88 13.935 10.386 -16.932 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.193 8.690 -17.741 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.008 8.776 -19.029 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.243 10.718 -19.479 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.990 11.383 -18.450 1.00 0.00 H new ATOM 1233 N LEU A 89 12.708 7.441 -17.009 1.00 0.00 N ATOM 1234 CA LEU A 89 11.541 6.674 -17.495 1.00 0.00 C ATOM 1235 C LEU A 89 10.884 5.991 -16.308 1.00 0.00 C ATOM 1236 O LEU A 89 10.402 4.881 -16.409 1.00 0.00 O ATOM 1237 CB LEU A 89 12.004 5.619 -18.502 1.00 0.00 C ATOM 1238 CG LEU A 89 11.490 5.982 -19.898 1.00 0.00 C ATOM 1239 CD1 LEU A 89 12.676 6.299 -20.811 1.00 0.00 C ATOM 1240 CD2 LEU A 89 10.703 4.804 -20.474 1.00 0.00 C ATOM 0 H LEU A 89 13.203 7.032 -16.216 1.00 0.00 H new ATOM 0 HA LEU A 89 10.831 7.342 -17.982 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.092 5.560 -18.508 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.633 4.636 -18.211 1.00 0.00 H new ATOM 0 HG LEU A 89 10.840 6.854 -19.831 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.311 6.558 -21.805 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.237 7.139 -20.401 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.326 5.427 -20.879 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.337 5.062 -21.468 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.352 3.931 -20.542 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.858 4.578 -19.824 1.00 0.00 H new ATOM 1252 N ALA A 90 10.846 6.641 -15.175 1.00 0.00 N ATOM 1253 CA ALA A 90 10.206 6.002 -14.012 1.00 0.00 C ATOM 1254 C ALA A 90 9.473 7.053 -13.188 1.00 0.00 C ATOM 1255 O ALA A 90 9.805 7.296 -12.047 1.00 0.00 O ATOM 1256 CB ALA A 90 11.244 5.299 -13.142 1.00 0.00 C ATOM 0 H ALA A 90 11.227 7.573 -15.015 1.00 0.00 H new ATOM 0 HA ALA A 90 9.495 5.258 -14.373 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.749 4.834 -12.289 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.752 4.533 -13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.973 6.027 -12.786 1.00 0.00 H new ATOM 1262 N LYS A 91 8.473 7.675 -13.747 1.00 0.00 N ATOM 1263 CA LYS A 91 7.733 8.690 -12.986 1.00 0.00 C ATOM 1264 C LYS A 91 7.209 8.043 -11.724 1.00 0.00 C ATOM 1265 O LYS A 91 7.613 6.964 -11.341 1.00 0.00 O ATOM 1266 CB LYS A 91 6.558 9.229 -13.807 1.00 0.00 C ATOM 1267 CG LYS A 91 6.936 9.284 -15.288 1.00 0.00 C ATOM 1268 CD LYS A 91 6.314 8.091 -16.017 1.00 0.00 C ATOM 1269 CE LYS A 91 6.950 7.946 -17.401 1.00 0.00 C ATOM 1270 NZ LYS A 91 6.939 6.513 -17.805 1.00 0.00 N ATOM 0 H LYS A 91 8.144 7.517 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 91 8.395 9.523 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.685 8.591 -13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.284 10.224 -13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.585 10.217 -15.730 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.020 9.267 -15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.466 7.179 -15.439 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.237 8.232 -16.113 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.402 8.544 -18.129 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.973 8.322 -17.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.371 6.414 -18.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.480 5.954 -17.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.958 6.169 -17.837 1.00 0.00 H new ATOM 1284 N TYR A 92 6.346 8.717 -11.062 1.00 0.00 N ATOM 1285 CA TYR A 92 5.805 8.217 -9.807 1.00 0.00 C ATOM 1286 C TYR A 92 4.367 8.699 -9.641 1.00 0.00 C ATOM 1287 O TYR A 92 3.843 9.443 -10.447 1.00 0.00 O ATOM 1288 CB TYR A 92 6.681 8.809 -8.733 1.00 0.00 C ATOM 1289 CG TYR A 92 8.131 8.601 -9.123 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.698 7.322 -9.055 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.899 9.680 -9.575 1.00 0.00 C ATOM 1292 CE1 TYR A 92 10.029 7.124 -9.432 1.00 0.00 C ATOM 1293 CE2 TYR A 92 10.231 9.479 -9.953 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.797 8.203 -9.882 1.00 0.00 C ATOM 1295 OH TYR A 92 12.111 8.008 -10.257 1.00 0.00 O ATOM 0 H TYR A 92 5.982 9.625 -11.351 1.00 0.00 H new ATOM 0 HA TYR A 92 5.794 7.128 -9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.470 9.872 -8.615 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.476 8.335 -7.773 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.105 6.487 -8.711 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.464 10.667 -9.632 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.465 6.137 -9.376 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.824 10.312 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 92 12.499 8.861 -10.545 1.00 0.00 H new ATOM 1305 N THR A 93 3.733 8.262 -8.604 1.00 0.00 N ATOM 1306 CA THR A 93 2.326 8.654 -8.347 1.00 0.00 C ATOM 1307 C THR A 93 2.018 8.493 -6.856 1.00 0.00 C ATOM 1308 O THR A 93 2.654 7.730 -6.161 1.00 0.00 O ATOM 1309 CB THR A 93 1.415 7.747 -9.178 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.152 8.372 -9.355 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.228 6.393 -8.482 1.00 0.00 C ATOM 0 H THR A 93 4.135 7.636 -7.906 1.00 0.00 H new ATOM 0 HA THR A 93 2.161 9.695 -8.626 1.00 0.00 H new ATOM 0 HB THR A 93 1.879 7.580 -10.150 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.429 7.790 -9.889 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.578 5.760 -9.086 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.197 5.908 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.776 6.547 -7.502 1.00 0.00 H new ATOM 1319 N THR A 94 1.040 9.195 -6.365 1.00 0.00 N ATOM 1320 CA THR A 94 0.676 9.074 -4.924 1.00 0.00 C ATOM 1321 C THR A 94 -0.654 8.327 -4.840 1.00 0.00 C ATOM 1322 O THR A 94 -1.618 8.706 -5.475 1.00 0.00 O ATOM 1323 CB THR A 94 0.541 10.477 -4.314 1.00 0.00 C ATOM 1324 OG1 THR A 94 1.835 10.993 -4.037 1.00 0.00 O ATOM 1325 CG2 THR A 94 -0.271 10.416 -3.017 1.00 0.00 C ATOM 0 H THR A 94 0.472 9.852 -6.900 1.00 0.00 H new ATOM 0 HA THR A 94 1.443 8.531 -4.372 1.00 0.00 H new ATOM 0 HB THR A 94 0.026 11.126 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.754 11.889 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.359 11.417 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.265 10.023 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.233 9.764 -2.303 1.00 0.00 H new ATOM 1333 N CYS A 95 -0.719 7.248 -4.107 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.005 6.488 -4.067 1.00 0.00 C ATOM 1335 C CYS A 95 -2.641 6.518 -2.678 1.00 0.00 C ATOM 1336 O CYS A 95 -2.047 6.938 -1.714 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.711 5.057 -4.469 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.217 4.255 -5.066 1.00 0.00 S ATOM 0 H CYS A 95 0.042 6.865 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.715 6.951 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.948 5.040 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.310 4.507 -3.617 1.00 0.00 H new ATOM 1343 N THR A 96 -3.864 6.077 -2.585 1.00 0.00 N ATOM 1344 CA THR A 96 -4.570 6.074 -1.273 1.00 0.00 C ATOM 1345 C THR A 96 -5.211 4.702 -1.035 1.00 0.00 C ATOM 1346 O THR A 96 -5.962 4.205 -1.853 1.00 0.00 O ATOM 1347 CB THR A 96 -5.669 7.138 -1.287 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.156 8.340 -1.845 1.00 0.00 O ATOM 1349 CG2 THR A 96 -6.156 7.398 0.139 1.00 0.00 C ATOM 0 H THR A 96 -4.409 5.716 -3.368 1.00 0.00 H new ATOM 0 HA THR A 96 -3.854 6.287 -0.479 1.00 0.00 H new ATOM 0 HB THR A 96 -6.506 6.786 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.860 9.022 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.939 8.157 0.124 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.553 6.475 0.562 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.324 7.748 0.750 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.936 4.100 0.087 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.536 2.780 0.403 1.00 0.00 C ATOM 1359 C PHE A 97 -6.490 2.954 1.583 1.00 0.00 C ATOM 1360 O PHE A 97 -6.141 3.549 2.586 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.456 1.773 0.809 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.331 1.707 -0.220 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.530 2.131 -1.548 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.083 1.159 0.138 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.512 2.003 -2.484 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.070 1.047 -0.797 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.277 1.461 -2.112 1.00 0.00 C ATOM 0 H PHE A 97 -4.314 4.472 0.805 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.056 2.409 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.046 2.051 1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.903 0.786 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.478 2.558 -1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.916 0.824 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.674 2.323 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.114 0.637 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.486 1.364 -2.841 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.681 2.436 1.492 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.624 2.573 2.636 1.00 0.00 C ATOM 1379 C VAL A 98 -9.078 1.168 3.033 1.00 0.00 C ATOM 1380 O VAL A 98 -9.922 0.571 2.395 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.817 3.426 2.211 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.972 3.227 3.193 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.407 4.901 2.192 1.00 0.00 C ATOM 0 H VAL A 98 -8.041 1.928 0.684 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.144 3.061 3.485 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.139 3.125 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.821 3.838 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.265 2.177 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.655 3.524 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.258 5.511 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.082 5.201 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.589 5.042 1.486 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.486 0.625 4.055 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.828 -0.760 4.477 1.00 0.00 C ATOM 1395 C VAL A 99 -9.774 -0.754 5.670 1.00 0.00 C ATOM 1396 O VAL A 99 -10.062 0.250 6.263 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.515 -1.503 4.827 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.634 -2.275 6.150 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.196 -2.477 3.697 1.00 0.00 C ATOM 0 H VAL A 99 -7.773 1.084 4.622 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.340 -1.271 3.662 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.719 -0.768 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.693 -2.783 6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.860 -1.579 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.434 -3.011 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.273 -3.010 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.012 -3.192 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.075 -1.925 2.765 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.260 -1.897 6.009 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.173 -2.012 7.161 1.00 0.00 C ATOM 1411 C TYR A 100 -10.851 -3.326 7.890 1.00 0.00 C ATOM 1412 O TYR A 100 -11.003 -4.390 7.317 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.590 -2.055 6.631 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.537 -1.481 7.654 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.563 -0.100 7.883 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.387 -2.327 8.373 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.441 0.435 8.833 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.264 -1.793 9.323 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.292 -0.412 9.553 1.00 0.00 C ATOM 1420 OH TYR A 100 -16.158 0.114 10.490 1.00 0.00 O ATOM 0 H TYR A 100 -10.061 -2.775 5.529 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.061 -1.172 7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.658 -1.489 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.870 -3.083 6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.906 0.552 7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.366 -3.392 8.195 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.462 1.500 9.010 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.920 -2.446 9.879 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.959 -0.448 10.547 1.00 0.00 H new ATOM 1430 N SER A 101 -10.392 -3.301 9.127 1.00 0.00 N ATOM 1431 CA SER A 101 -10.078 -4.602 9.781 1.00 0.00 C ATOM 1432 C SER A 101 -11.016 -4.832 10.979 1.00 0.00 C ATOM 1433 O SER A 101 -11.080 -4.039 11.905 1.00 0.00 O ATOM 1434 CB SER A 101 -8.616 -4.617 10.209 1.00 0.00 C ATOM 1435 OG SER A 101 -8.109 -5.935 10.105 1.00 0.00 O ATOM 0 H SER A 101 -10.229 -2.464 9.687 1.00 0.00 H new ATOM 0 HA SER A 101 -10.237 -5.416 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.035 -3.941 9.581 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.522 -4.259 11.234 1.00 0.00 H new ATOM 0 HG SER A 101 -7.166 -5.903 9.840 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.749 -5.921 10.945 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.699 -6.266 12.049 1.00 0.00 C ATOM 1443 C ILE A 102 -11.985 -7.260 12.982 1.00 0.00 C ATOM 1444 O ILE A 102 -11.807 -8.406 12.622 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.934 -6.938 11.437 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.251 -6.276 10.091 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -15.132 -6.781 12.377 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.650 -6.690 9.628 1.00 0.00 C ATOM 0 H ILE A 102 -11.727 -6.598 10.182 1.00 0.00 H new ATOM 0 HA ILE A 102 -13.004 -5.377 12.601 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.733 -7.999 11.289 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.195 -5.192 10.186 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.510 -6.569 9.347 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -16.006 -7.261 11.936 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.906 -7.249 13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.338 -5.722 12.530 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.871 -6.217 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.690 -7.773 9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.386 -6.374 10.367 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.567 -6.798 14.135 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.822 -7.644 15.129 1.00 0.00 C ATOM 1462 C PRO A 103 -11.681 -8.784 15.695 1.00 0.00 C ATOM 1463 O PRO A 103 -11.282 -9.931 15.667 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.426 -6.645 16.210 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.390 -5.478 16.093 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.782 -5.395 14.618 1.00 0.00 C ATOM 0 HA PRO A 103 -9.969 -8.155 14.682 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.486 -7.100 17.199 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.397 -6.313 16.073 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -12.267 -5.633 16.721 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.921 -4.551 16.424 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.817 -5.079 14.492 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -11.163 -4.681 14.075 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.834 -8.497 16.229 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.664 -9.600 16.806 1.00 0.00 C ATOM 1476 C TRP A 104 -13.927 -10.700 15.763 1.00 0.00 C ATOM 1477 O TRP A 104 -14.423 -11.758 16.094 1.00 0.00 O ATOM 1478 CB TRP A 104 -15.001 -9.042 17.321 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.890 -8.638 16.180 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.642 -9.482 15.431 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -16.151 -7.300 15.666 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.332 -8.748 14.486 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -17.062 -7.400 14.588 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.686 -6.022 16.021 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.497 -6.276 13.890 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -16.124 -4.886 15.321 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -17.028 -5.016 14.255 1.00 0.00 C ATOM 0 H TRP A 104 -13.237 -7.562 16.293 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.111 -10.039 17.636 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.503 -9.794 17.929 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.817 -8.182 17.965 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.693 -10.554 15.553 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.964 -9.154 13.796 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.987 -5.913 16.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.193 -6.381 13.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.764 -3.908 15.604 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.360 -4.140 13.718 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.643 -10.462 14.505 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.923 -11.474 13.476 1.00 0.00 C ATOM 1500 C LEU A 105 -12.745 -11.591 12.506 1.00 0.00 C ATOM 1501 O LEU A 105 -12.859 -12.207 11.465 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.109 -10.942 12.729 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.280 -11.922 12.684 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.114 -12.870 11.494 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.370 -12.732 13.981 1.00 0.00 C ATOM 0 H LEU A 105 -13.226 -9.598 14.158 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.095 -12.457 13.915 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.438 -10.014 13.196 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.809 -10.697 11.710 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.201 -11.350 12.573 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.951 -13.568 11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.090 -12.293 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.182 -13.426 11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.212 -13.421 13.922 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.448 -13.296 14.122 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.514 -12.055 14.823 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.619 -11.015 12.841 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.433 -11.088 11.950 1.00 0.00 C ATOM 1519 C ASN A 106 -10.867 -11.057 10.484 1.00 0.00 C ATOM 1520 O ASN A 106 -10.535 -11.928 9.703 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.687 -12.371 12.264 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.250 -12.277 11.747 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -8.015 -12.331 10.557 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -7.271 -12.140 12.599 1.00 0.00 N ATOM 0 H ASN A 106 -11.474 -10.492 13.705 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.781 -10.231 12.118 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.685 -12.547 13.340 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.194 -13.219 11.803 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.309 -12.078 12.265 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.468 -12.095 13.599 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.608 -10.052 10.115 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.080 -9.936 8.704 1.00 0.00 C ATOM 1533 C GLN A 107 -11.499 -8.663 8.089 1.00 0.00 C ATOM 1534 O GLN A 107 -11.932 -7.567 8.377 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.608 -9.866 8.681 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.146 -10.827 7.621 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.568 -10.037 6.380 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -15.546 -9.317 6.409 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -13.868 -10.141 5.285 1.00 0.00 N ATOM 0 H GLN A 107 -11.910 -9.299 10.733 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.752 -10.804 8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.009 -10.126 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.933 -8.849 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.382 -11.558 7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.996 -11.383 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.047 -10.745 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.142 -9.618 4.453 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.512 -8.801 7.251 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.888 -7.603 6.626 1.00 0.00 C ATOM 1550 C ILE A 108 -10.444 -7.418 5.205 1.00 0.00 C ATOM 1551 O ILE A 108 -10.586 -8.365 4.458 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.361 -7.810 6.615 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.699 -6.679 7.410 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.806 -7.865 5.180 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.283 -6.399 6.907 1.00 0.00 C ATOM 0 H ILE A 108 -10.109 -9.695 6.971 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.120 -6.700 7.190 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.133 -8.769 7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.301 -5.774 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.666 -6.946 8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.726 -8.012 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.269 -8.693 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.029 -6.929 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.842 -5.592 7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.675 -7.298 7.012 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.321 -6.108 5.857 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.759 -6.208 4.833 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.304 -5.974 3.467 1.00 0.00 C ATOM 1569 C LYS A 109 -10.770 -4.653 2.902 1.00 0.00 C ATOM 1570 O LYS A 109 -10.574 -3.685 3.618 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.831 -5.913 3.536 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.404 -5.820 2.120 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.922 -6.016 2.170 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.619 -4.705 1.801 1.00 0.00 C ATOM 1575 NZ LYS A 109 -17.085 -4.942 1.673 1.00 0.00 N ATOM 0 H LYS A 109 -10.663 -5.375 5.413 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.993 -6.791 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.218 -6.799 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.145 -5.050 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.166 -4.850 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.950 -6.578 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.220 -6.805 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.226 -6.333 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.427 -3.951 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.219 -4.319 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.560 -4.051 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.259 -5.648 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.460 -5.292 2.578 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.548 -4.611 1.612 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.045 -3.364 0.962 1.00 0.00 C ATOM 1591 C LEU A 110 -11.232 -2.478 0.619 1.00 0.00 C ATOM 1592 O LEU A 110 -12.370 -2.897 0.687 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.286 -3.722 -0.309 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.046 -2.834 -0.423 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.242 -2.890 0.879 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.178 -3.338 -1.566 1.00 0.00 C ATOM 0 H LEU A 110 -10.695 -5.395 0.977 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.374 -2.836 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.995 -4.772 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.927 -3.585 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.355 -1.806 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.361 -2.255 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.861 -2.538 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.931 -3.917 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.291 -2.710 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.876 -4.366 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.744 -3.299 -2.497 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.989 -1.251 0.263 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.133 -0.357 -0.065 1.00 0.00 C ATOM 1610 C LEU A 111 -11.686 0.746 -1.010 1.00 0.00 C ATOM 1611 O LEU A 111 -11.809 0.644 -2.215 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.672 0.268 1.223 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.996 -0.400 1.602 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.825 -1.159 2.920 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -15.077 0.670 1.765 1.00 0.00 C ATOM 0 H LEU A 111 -10.063 -0.831 0.185 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.914 -0.944 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.948 0.147 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.820 1.339 1.085 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.290 -1.097 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.767 -1.635 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.054 -1.921 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.532 -0.463 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.021 0.196 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.784 1.367 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.198 1.211 0.826 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.182 1.808 -0.467 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.737 2.942 -1.326 1.00 0.00 C ATOM 1629 C GLU A 112 -9.268 2.768 -1.703 1.00 0.00 C ATOM 1630 O GLU A 112 -8.424 3.578 -1.370 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.928 4.269 -0.588 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.415 5.335 -1.572 1.00 0.00 C ATOM 1633 CD GLU A 112 -10.293 5.671 -2.557 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -9.278 6.184 -2.117 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -10.470 5.409 -3.736 1.00 0.00 O ATOM 0 H GLU A 112 -11.056 1.946 0.536 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.340 2.951 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.650 4.148 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.989 4.582 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.291 4.974 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.720 6.231 -1.032 1.00 0.00 H new ATOM 1642 N SER A 113 -8.966 1.726 -2.420 1.00 0.00 N ATOM 1643 CA SER A 113 -7.562 1.494 -2.858 1.00 0.00 C ATOM 1644 C SER A 113 -7.440 1.970 -4.303 1.00 0.00 C ATOM 1645 O SER A 113 -7.685 1.226 -5.233 1.00 0.00 O ATOM 1646 CB SER A 113 -7.239 0.000 -2.779 1.00 0.00 C ATOM 1647 OG SER A 113 -8.410 -0.753 -3.058 1.00 0.00 O ATOM 0 H SER A 113 -9.635 1.019 -2.725 1.00 0.00 H new ATOM 0 HA SER A 113 -6.867 2.036 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.454 -0.251 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.861 -0.249 -1.787 1.00 0.00 H new ATOM 0 HG SER A 113 -8.210 -1.430 -3.738 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.085 3.209 -4.506 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.976 3.724 -5.900 1.00 0.00 C ATOM 1655 C LYS A 114 -5.984 4.882 -5.937 1.00 0.00 C ATOM 1656 O LYS A 114 -5.671 5.476 -4.927 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.347 4.213 -6.370 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.303 4.485 -7.875 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.713 4.374 -8.456 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.211 5.764 -8.858 1.00 0.00 C ATOM 1661 NZ LYS A 114 -9.823 6.043 -10.270 1.00 0.00 N ATOM 0 H LYS A 114 -6.867 3.883 -3.772 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.629 2.926 -6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.108 3.465 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.625 5.120 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.898 5.479 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.639 3.772 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.710 3.713 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.387 3.933 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.294 5.819 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.786 6.519 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.162 6.988 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.787 6.007 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.249 5.329 -10.895 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.479 5.203 -7.093 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.493 6.315 -7.186 1.00 0.00 C ATOM 1677 C CYS A 115 -5.009 7.379 -8.155 1.00 0.00 C ATOM 1678 O CYS A 115 -5.608 7.076 -9.167 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.157 5.765 -7.690 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.911 4.085 -7.054 1.00 0.00 S ATOM 0 H CYS A 115 -5.705 4.745 -7.976 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.355 6.763 -6.202 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.143 5.758 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.341 6.411 -7.365 1.00 0.00 H new ATOM 1685 N GLN A 116 -4.777 8.627 -7.851 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.250 9.716 -8.753 1.00 0.00 C ATOM 1687 C GLN A 116 -4.041 10.419 -9.377 1.00 0.00 C ATOM 1688 CB GLN A 116 -6.079 10.724 -7.941 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.145 11.619 -7.118 1.00 0.00 C ATOM 1690 CD GLN A 116 -5.006 12.978 -7.804 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -4.902 13.056 -9.013 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -5.000 14.063 -7.078 1.00 0.00 N ATOM 0 H GLN A 116 -4.280 8.940 -7.017 1.00 0.00 H new ATOM 0 HA GLN A 116 -5.870 9.296 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.685 11.334 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.767 10.195 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -5.541 11.747 -6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.167 11.148 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -5.087 13.998 -6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -4.908 14.975 -7.525 1.00 0.00 H new