USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 661 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 53 MET CE :methyl -169:sc= 0 (180deg=-0.168) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 MET CE :methyl 172:sc=-0.000838 (180deg=-0.0778) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= -2.92! C(o=-2.8!,f=-3.5!) USER MOD Set 3.2: A 69 GLN : amide:sc= 0.168 K(o=-2.8,f=-3.9) USER MOD Set 4.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 59 TYR OH : rot -31:sc= 1.97 USER MOD Set 5.2: A 63 LYS NZ :NH3+ 136:sc= 0.984 (180deg=-0.0899) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.935 K(o=-0.94,f=-2.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.12) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 92:sc= 0.0885 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00474 X(o=-0.0047,f=-0.17) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.444 K(o=0.44,f=-0.65) USER MOD Single : A 64 GLN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 72 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-1.3) USER MOD Single : A 76 CYS SG : rot 28:sc= 0.16 USER MOD Single : A 88 GLN : amide:sc= 0.802 K(o=0.8,f=-4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -160:sc= 0.471 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 88:sc= 1.31 USER MOD Single : A 101 MET CE :methyl -170:sc= -0.217 (180deg=-0.466) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.216 K(o=-0.22,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 25 11.654 2.322 5.503 1.00 0.00 N ATOM 38 CA ASN A 25 11.777 1.455 4.323 1.00 0.00 C ATOM 39 C ASN A 25 11.694 2.203 2.971 1.00 0.00 C ATOM 40 O ASN A 25 11.133 1.708 1.995 1.00 0.00 O ATOM 41 CB ASN A 25 10.745 0.319 4.451 1.00 0.00 C ATOM 42 CG ASN A 25 10.733 -0.347 5.821 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.755 -0.288 6.554 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.821 -0.950 6.245 1.00 0.00 N ATOM 0 HA ASN A 25 12.783 1.036 4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.752 0.717 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.952 -0.435 3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.845 -1.363 7.177 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.642 -1.005 5.642 1.00 0.00 H new ATOM 51 N GLN A 26 12.236 3.419 2.944 1.00 0.00 N ATOM 52 CA GLN A 26 12.095 4.457 1.910 1.00 0.00 C ATOM 53 C GLN A 26 13.445 4.967 1.383 1.00 0.00 C ATOM 54 O GLN A 26 14.505 4.432 1.720 1.00 0.00 O ATOM 55 CB GLN A 26 11.239 5.619 2.461 1.00 0.00 C ATOM 56 CG GLN A 26 10.064 5.208 3.363 1.00 0.00 C ATOM 57 CD GLN A 26 9.135 4.165 2.744 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.981 4.051 1.537 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.495 3.356 3.559 1.00 0.00 N ATOM 0 H GLN A 26 12.836 3.735 3.706 1.00 0.00 H new ATOM 0 HA GLN A 26 11.593 4.005 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.888 6.290 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.846 6.188 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.460 4.816 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.482 6.096 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.619 3.445 4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.875 2.639 3.183 1.00 0.00 H new ATOM 68 N VAL A 27 13.400 5.985 0.517 1.00 0.00 N ATOM 69 CA VAL A 27 14.593 6.601 -0.099 1.00 0.00 C ATOM 70 C VAL A 27 15.217 7.630 0.858 1.00 0.00 C ATOM 71 O VAL A 27 14.679 7.869 1.938 1.00 0.00 O ATOM 72 CB VAL A 27 14.290 7.248 -1.483 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.085 6.597 -2.614 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.817 7.245 -1.913 1.00 0.00 C ATOM 0 H VAL A 27 12.525 6.414 0.216 1.00 0.00 H new ATOM 0 HA VAL A 27 15.309 5.799 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 27 14.591 8.283 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.839 7.083 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.152 6.705 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.832 5.538 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.722 7.719 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.457 6.218 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.224 7.796 -1.183 1.00 0.00 H new ATOM 84 N ARG A 28 16.404 8.155 0.507 1.00 0.00 N ATOM 85 CA ARG A 28 17.130 9.276 1.148 1.00 0.00 C ATOM 86 C ARG A 28 18.231 9.750 0.166 1.00 0.00 C ATOM 87 O ARG A 28 18.962 8.897 -0.342 1.00 0.00 O ATOM 88 CB ARG A 28 17.750 8.749 2.472 1.00 0.00 C ATOM 89 CG ARG A 28 18.346 9.735 3.493 1.00 0.00 C ATOM 90 CD ARG A 28 19.545 10.582 3.058 1.00 0.00 C ATOM 91 NE ARG A 28 20.183 11.221 4.228 1.00 0.00 N ATOM 92 CZ ARG A 28 21.164 12.108 4.224 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.696 12.565 3.126 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.637 12.563 5.349 1.00 0.00 N ATOM 0 H ARG A 28 16.922 7.783 -0.289 1.00 0.00 H new ATOM 0 HA ARG A 28 16.472 10.115 1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.977 8.179 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.539 8.046 2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.552 10.414 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.641 9.166 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.270 9.956 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.220 11.346 2.352 1.00 0.00 H new ATOM 0 HE ARG A 28 19.826 10.947 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.357 12.239 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.451 13.249 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.251 12.235 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.394 13.247 5.345 1.00 0.00 H new ATOM 108 N PRO A 29 18.366 11.058 -0.133 1.00 0.00 N ATOM 109 CA PRO A 29 19.237 11.544 -1.212 1.00 0.00 C ATOM 110 C PRO A 29 20.629 11.997 -0.744 1.00 0.00 C ATOM 111 O PRO A 29 20.901 12.124 0.452 1.00 0.00 O ATOM 112 CB PRO A 29 18.458 12.725 -1.800 1.00 0.00 C ATOM 113 CG PRO A 29 17.841 13.352 -0.555 1.00 0.00 C ATOM 114 CD PRO A 29 17.504 12.143 0.320 1.00 0.00 C ATOM 0 HA PRO A 29 19.449 10.746 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.110 13.422 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.699 12.399 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.538 14.027 -0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.951 13.934 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.678 12.364 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.453 11.872 0.221 1.00 0.00 H new ATOM 122 N LYS A 30 21.486 12.303 -1.724 1.00 0.00 N ATOM 123 CA LYS A 30 22.783 12.991 -1.577 1.00 0.00 C ATOM 124 C LYS A 30 22.583 14.474 -1.933 1.00 0.00 C ATOM 125 O LYS A 30 21.638 14.793 -2.650 1.00 0.00 O ATOM 126 CB LYS A 30 23.812 12.271 -2.474 1.00 0.00 C ATOM 127 CG LYS A 30 25.273 12.603 -2.131 1.00 0.00 C ATOM 128 CD LYS A 30 26.231 11.894 -3.098 1.00 0.00 C ATOM 129 CE LYS A 30 27.687 12.211 -2.727 1.00 0.00 C ATOM 130 NZ LYS A 30 28.646 11.521 -3.633 1.00 0.00 N ATOM 0 H LYS A 30 21.287 12.066 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 30 23.166 12.956 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.664 11.194 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.623 12.537 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.428 13.681 -2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.490 12.298 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.065 10.817 -3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.030 12.214 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.849 13.288 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.875 11.907 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.619 11.758 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.507 10.492 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.482 11.830 -4.612 1.00 0.00 H new ATOM 144 N LEU A 31 23.461 15.378 -1.496 1.00 0.00 N ATOM 145 CA LEU A 31 23.333 16.844 -1.672 1.00 0.00 C ATOM 146 C LEU A 31 22.886 17.314 -3.082 1.00 0.00 C ATOM 147 O LEU A 31 21.879 18.020 -3.162 1.00 0.00 O ATOM 148 CB LEU A 31 24.650 17.532 -1.245 1.00 0.00 C ATOM 149 CG LEU A 31 24.747 17.873 0.256 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.699 16.647 1.172 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.054 18.616 0.529 1.00 0.00 C ATOM 0 H LEU A 31 24.309 15.113 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 31 22.512 17.149 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.485 16.883 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.766 18.451 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 31 23.875 18.487 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.772 16.966 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.759 16.117 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.532 15.984 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.121 18.856 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.897 17.986 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.078 19.537 -0.054 1.00 0.00 H new ATOM 163 N PRO A 32 23.532 16.912 -4.201 1.00 0.00 N ATOM 164 CA PRO A 32 23.117 17.332 -5.549 1.00 0.00 C ATOM 165 C PRO A 32 21.776 16.742 -6.001 1.00 0.00 C ATOM 166 O PRO A 32 21.117 17.328 -6.855 1.00 0.00 O ATOM 167 CB PRO A 32 24.259 16.899 -6.473 1.00 0.00 C ATOM 168 CG PRO A 32 24.883 15.710 -5.749 1.00 0.00 C ATOM 169 CD PRO A 32 24.756 16.120 -4.286 1.00 0.00 C ATOM 0 HA PRO A 32 22.944 18.408 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.890 16.618 -7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.981 17.702 -6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.352 14.781 -5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.922 15.556 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.702 15.245 -3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.621 16.701 -3.966 1.00 0.00 H new ATOM 177 N LEU A 33 21.340 15.622 -5.415 1.00 0.00 N ATOM 178 CA LEU A 33 20.029 15.015 -5.681 1.00 0.00 C ATOM 179 C LEU A 33 18.915 15.651 -4.827 1.00 0.00 C ATOM 180 O LEU A 33 17.822 15.907 -5.326 1.00 0.00 O ATOM 181 CB LEU A 33 20.124 13.488 -5.505 1.00 0.00 C ATOM 182 CG LEU A 33 21.239 12.789 -6.315 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.111 11.274 -6.160 1.00 0.00 C ATOM 184 CD2 LEU A 33 21.219 13.122 -7.809 1.00 0.00 C ATOM 0 H LEU A 33 21.894 15.104 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 33 19.748 15.216 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.278 13.271 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.167 13.048 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 33 22.181 13.159 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.898 10.782 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.206 11.007 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 33 20.138 10.951 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 33 22.031 12.595 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.266 12.813 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.346 14.196 -7.944 1.00 0.00 H new ATOM 196 N LEU A 34 19.213 16.014 -3.571 1.00 0.00 N ATOM 197 CA LEU A 34 18.335 16.823 -2.707 1.00 0.00 C ATOM 198 C LEU A 34 18.073 18.199 -3.320 1.00 0.00 C ATOM 199 O LEU A 34 16.946 18.675 -3.240 1.00 0.00 O ATOM 200 CB LEU A 34 18.989 16.912 -1.309 1.00 0.00 C ATOM 201 CG LEU A 34 18.293 17.803 -0.247 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.608 17.267 1.151 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.809 19.245 -0.291 1.00 0.00 C ATOM 0 H LEU A 34 20.087 15.749 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 34 17.357 16.351 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.060 15.902 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.008 17.276 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 34 17.225 17.785 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.120 17.892 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.243 16.244 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.686 17.283 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.298 19.838 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.881 19.254 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.616 19.671 -1.276 1.00 0.00 H new ATOM 215 N LYS A 35 19.064 18.797 -3.996 1.00 0.00 N ATOM 216 CA LYS A 35 18.963 20.095 -4.696 1.00 0.00 C ATOM 217 C LYS A 35 17.768 20.160 -5.658 1.00 0.00 C ATOM 218 O LYS A 35 17.072 21.169 -5.738 1.00 0.00 O ATOM 219 CB LYS A 35 20.282 20.310 -5.471 1.00 0.00 C ATOM 220 CG LYS A 35 20.710 21.775 -5.611 1.00 0.00 C ATOM 221 CD LYS A 35 21.158 22.369 -4.266 1.00 0.00 C ATOM 222 CE LYS A 35 21.982 23.637 -4.514 1.00 0.00 C ATOM 223 NZ LYS A 35 22.408 24.282 -3.241 1.00 0.00 N ATOM 0 H LYS A 35 19.991 18.380 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 35 18.801 20.880 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.077 19.760 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.177 19.879 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.525 21.848 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.880 22.360 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.288 22.603 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.751 21.640 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.862 23.388 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.393 24.343 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.963 25.136 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.568 24.544 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.991 23.618 -2.693 1.00 0.00 H new ATOM 237 N ILE A 36 17.506 19.039 -6.332 1.00 0.00 N ATOM 238 CA ILE A 36 16.458 18.856 -7.348 1.00 0.00 C ATOM 239 C ILE A 36 15.078 18.946 -6.690 1.00 0.00 C ATOM 240 O ILE A 36 14.247 19.754 -7.089 1.00 0.00 O ATOM 241 CB ILE A 36 16.662 17.503 -8.078 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.113 17.376 -8.594 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.673 17.341 -9.245 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.488 15.979 -9.087 1.00 0.00 C ATOM 0 H ILE A 36 18.045 18.187 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 36 16.524 19.648 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 36 16.471 16.708 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.260 18.087 -9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.796 17.661 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.843 16.382 -9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.652 17.378 -8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.822 18.147 -9.963 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.522 15.980 -9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.377 15.264 -8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.832 15.696 -9.910 1.00 0.00 H new ATOM 256 N LEU A 37 14.854 18.181 -5.619 1.00 0.00 N ATOM 257 CA LEU A 37 13.613 18.252 -4.846 1.00 0.00 C ATOM 258 C LEU A 37 13.489 19.561 -4.029 1.00 0.00 C ATOM 259 O LEU A 37 12.386 20.084 -3.881 1.00 0.00 O ATOM 260 CB LEU A 37 13.450 16.940 -4.039 1.00 0.00 C ATOM 261 CG LEU A 37 12.812 15.726 -4.761 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.716 16.073 -5.775 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.832 14.857 -5.487 1.00 0.00 C ATOM 0 H LEU A 37 15.524 17.498 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 37 12.758 18.316 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.436 16.639 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.848 17.161 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 37 12.360 15.183 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.334 15.157 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.904 16.595 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.130 16.714 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.322 14.025 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.348 15.453 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.557 14.470 -4.770 1.00 0.00 H new ATOM 275 N HIS A 38 14.593 20.164 -3.572 1.00 0.00 N ATOM 276 CA HIS A 38 14.612 21.501 -2.943 1.00 0.00 C ATOM 277 C HIS A 38 14.174 22.615 -3.902 1.00 0.00 C ATOM 278 O HIS A 38 13.463 23.527 -3.480 1.00 0.00 O ATOM 279 CB HIS A 38 16.008 21.814 -2.371 1.00 0.00 C ATOM 280 CG HIS A 38 16.100 21.697 -0.868 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.673 22.653 -0.024 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.622 20.667 -0.110 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.525 22.178 1.225 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.899 20.989 1.203 1.00 0.00 N ATOM 0 H HIS A 38 15.516 19.734 -3.627 1.00 0.00 H new ATOM 0 HA HIS A 38 13.886 21.472 -2.131 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.734 21.137 -2.822 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.290 22.825 -2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.126 19.777 -0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.862 22.681 2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.668 20.421 2.018 1.00 0.00 H new ATOM 292 N ALA A 39 14.503 22.517 -5.198 1.00 0.00 N ATOM 293 CA ALA A 39 13.979 23.430 -6.223 1.00 0.00 C ATOM 294 C ALA A 39 12.437 23.387 -6.337 1.00 0.00 C ATOM 295 O ALA A 39 11.820 24.351 -6.798 1.00 0.00 O ATOM 296 CB ALA A 39 14.628 23.101 -7.572 1.00 0.00 C ATOM 0 H ALA A 39 15.137 21.806 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 39 14.234 24.446 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.242 23.776 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.709 23.220 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.395 22.072 -7.846 1.00 0.00 H new ATOM 302 N ALA A 40 11.818 22.292 -5.876 1.00 0.00 N ATOM 303 CA ALA A 40 10.374 22.098 -5.760 1.00 0.00 C ATOM 304 C ALA A 40 9.850 22.187 -4.306 1.00 0.00 C ATOM 305 O ALA A 40 8.779 21.659 -4.000 1.00 0.00 O ATOM 306 CB ALA A 40 10.026 20.782 -6.458 1.00 0.00 C ATOM 0 H ALA A 40 12.343 21.477 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 40 9.856 22.920 -6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.952 20.607 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.318 20.838 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.559 19.962 -5.976 1.00 0.00 H new ATOM 312 N GLY A 41 10.593 22.835 -3.398 1.00 0.00 N ATOM 313 CA GLY A 41 10.156 23.149 -2.029 1.00 0.00 C ATOM 314 C GLY A 41 10.086 21.961 -1.055 1.00 0.00 C ATOM 315 O GLY A 41 9.445 22.071 -0.006 1.00 0.00 O ATOM 0 H GLY A 41 11.537 23.164 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.835 23.894 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.170 23.610 -2.080 1.00 0.00 H new ATOM 319 N ALA A 42 10.704 20.826 -1.394 1.00 0.00 N ATOM 320 CA ALA A 42 10.673 19.591 -0.616 1.00 0.00 C ATOM 321 C ALA A 42 11.731 19.561 0.517 1.00 0.00 C ATOM 322 O ALA A 42 12.362 20.569 0.842 1.00 0.00 O ATOM 323 CB ALA A 42 10.943 18.464 -1.613 1.00 0.00 C ATOM 0 H ALA A 42 11.257 20.742 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 42 9.708 19.493 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.933 17.507 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.171 18.466 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.918 18.614 -2.077 1.00 0.00 H new ATOM 329 N GLN A 43 11.984 18.359 1.055 1.00 0.00 N ATOM 330 CA GLN A 43 13.085 18.039 1.986 1.00 0.00 C ATOM 331 C GLN A 43 13.887 16.807 1.518 1.00 0.00 C ATOM 332 O GLN A 43 14.117 15.852 2.262 1.00 0.00 O ATOM 333 CB GLN A 43 12.546 17.899 3.422 1.00 0.00 C ATOM 334 CG GLN A 43 11.903 19.187 3.964 1.00 0.00 C ATOM 335 CD GLN A 43 11.504 19.045 5.432 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.203 19.477 6.341 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.378 18.428 5.731 1.00 0.00 N ATOM 0 H GLN A 43 11.404 17.546 0.847 1.00 0.00 H new ATOM 0 HA GLN A 43 13.794 18.867 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.810 17.096 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.363 17.605 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.602 20.016 3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.023 19.432 3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.784 18.062 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.101 18.317 6.706 1.00 0.00 H new ATOM 346 N GLY A 44 14.300 16.818 0.246 1.00 0.00 N ATOM 347 CA GLY A 44 15.084 15.756 -0.376 1.00 0.00 C ATOM 348 C GLY A 44 14.229 14.584 -0.856 1.00 0.00 C ATOM 349 O GLY A 44 13.354 14.763 -1.691 1.00 0.00 O ATOM 0 H GLY A 44 14.091 17.586 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.635 16.167 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.822 15.391 0.338 1.00 0.00 H new ATOM 353 N GLU A 45 14.525 13.381 -0.362 1.00 0.00 N ATOM 354 CA GLU A 45 13.857 12.110 -0.710 1.00 0.00 C ATOM 355 C GLU A 45 13.725 11.163 0.490 1.00 0.00 C ATOM 356 O GLU A 45 13.475 9.977 0.309 1.00 0.00 O ATOM 357 CB GLU A 45 14.528 11.399 -1.908 1.00 0.00 C ATOM 358 CG GLU A 45 14.569 12.214 -3.200 1.00 0.00 C ATOM 359 CD GLU A 45 15.013 11.320 -4.375 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.236 11.082 -4.527 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.139 10.838 -5.135 1.00 0.00 O ATOM 0 H GLU A 45 15.269 13.252 0.323 1.00 0.00 H new ATOM 0 HA GLU A 45 12.847 12.384 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.548 11.135 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.999 10.466 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.585 12.635 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.258 13.052 -3.089 1.00 0.00 H new ATOM 368 N MET A 46 13.921 11.662 1.719 1.00 0.00 N ATOM 369 CA MET A 46 13.949 10.868 2.962 1.00 0.00 C ATOM 370 C MET A 46 12.538 10.508 3.465 1.00 0.00 C ATOM 371 O MET A 46 12.141 10.802 4.595 1.00 0.00 O ATOM 372 CB MET A 46 14.885 11.544 3.963 1.00 0.00 C ATOM 373 CG MET A 46 15.171 10.703 5.218 1.00 0.00 C ATOM 374 SD MET A 46 16.428 11.414 6.316 1.00 0.00 S ATOM 375 CE MET A 46 16.467 10.125 7.592 1.00 0.00 C ATOM 0 H MET A 46 14.069 12.658 1.883 1.00 0.00 H new ATOM 0 HA MET A 46 14.375 9.881 2.778 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.829 11.770 3.467 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.449 12.495 4.267 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.244 10.578 5.778 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.494 9.708 4.910 1.00 0.00 H new ATOM 0 HE1 MET A 46 17.193 10.395 8.359 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.480 10.030 8.044 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.752 9.175 7.141 1.00 0.00 H new ATOM 385 N PHE A 47 11.754 9.931 2.555 1.00 0.00 N ATOM 386 CA PHE A 47 10.310 9.674 2.689 1.00 0.00 C ATOM 387 C PHE A 47 9.767 8.752 1.575 1.00 0.00 C ATOM 388 O PHE A 47 10.464 8.433 0.613 1.00 0.00 O ATOM 389 CB PHE A 47 9.550 11.015 2.753 1.00 0.00 C ATOM 390 CG PHE A 47 10.035 12.087 1.800 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.915 11.893 0.415 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.610 13.275 2.292 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.314 12.902 -0.470 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.037 14.272 1.401 1.00 0.00 C ATOM 395 CZ PHE A 47 10.872 14.093 0.020 1.00 0.00 C ATOM 0 H PHE A 47 12.121 9.612 1.658 1.00 0.00 H new ATOM 0 HA PHE A 47 10.145 9.134 3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.496 10.825 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.616 11.401 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.515 10.966 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.723 13.419 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.192 12.763 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.492 15.176 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.174 14.871 -0.666 1.00 0.00 H new ATOM 405 N THR A 48 8.521 8.292 1.730 1.00 0.00 N ATOM 406 CA THR A 48 7.840 7.260 0.922 1.00 0.00 C ATOM 407 C THR A 48 7.669 7.634 -0.560 1.00 0.00 C ATOM 408 O THR A 48 7.733 8.802 -0.952 1.00 0.00 O ATOM 409 CB THR A 48 6.451 6.949 1.545 1.00 0.00 C ATOM 410 OG1 THR A 48 6.454 7.222 2.935 1.00 0.00 O ATOM 411 CG2 THR A 48 5.975 5.499 1.412 1.00 0.00 C ATOM 0 H THR A 48 7.917 8.650 2.470 1.00 0.00 H new ATOM 0 HA THR A 48 8.485 6.381 0.940 1.00 0.00 H new ATOM 0 HB THR A 48 5.776 7.588 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.155 8.143 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.996 5.393 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.903 5.235 0.357 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.686 4.836 1.904 1.00 0.00 H new ATOM 419 N VAL A 49 7.354 6.627 -1.385 1.00 0.00 N ATOM 420 CA VAL A 49 7.136 6.726 -2.848 1.00 0.00 C ATOM 421 C VAL A 49 6.108 7.812 -3.199 1.00 0.00 C ATOM 422 O VAL A 49 6.338 8.650 -4.073 1.00 0.00 O ATOM 423 CB VAL A 49 6.684 5.356 -3.410 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.350 5.399 -4.905 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.763 4.288 -3.190 1.00 0.00 C ATOM 0 H VAL A 49 7.237 5.674 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 49 8.083 7.010 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 49 5.776 5.103 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.040 4.408 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.541 6.109 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.231 5.711 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.420 3.336 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.680 4.588 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.957 4.181 -2.123 1.00 0.00 H new ATOM 435 N LYS A 50 5.002 7.853 -2.448 1.00 0.00 N ATOM 436 CA LYS A 50 3.947 8.863 -2.616 1.00 0.00 C ATOM 437 C LYS A 50 4.404 10.293 -2.318 1.00 0.00 C ATOM 438 O LYS A 50 3.910 11.228 -2.942 1.00 0.00 O ATOM 439 CB LYS A 50 2.686 8.464 -1.824 1.00 0.00 C ATOM 440 CG LYS A 50 2.920 8.357 -0.307 1.00 0.00 C ATOM 441 CD LYS A 50 1.640 7.972 0.444 1.00 0.00 C ATOM 442 CE LYS A 50 1.954 7.813 1.939 1.00 0.00 C ATOM 443 NZ LYS A 50 0.733 7.486 2.726 1.00 0.00 N ATOM 0 H LYS A 50 4.811 7.184 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 50 3.692 8.878 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.902 9.198 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.322 7.506 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.693 7.614 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.290 9.310 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.877 8.737 0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.237 7.041 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.695 7.025 2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.396 8.735 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.984 7.386 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.035 8.250 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.326 6.594 2.380 1.00 0.00 H new ATOM 457 N GLU A 51 5.371 10.468 -1.415 1.00 0.00 N ATOM 458 CA GLU A 51 5.935 11.781 -1.095 1.00 0.00 C ATOM 459 C GLU A 51 6.962 12.215 -2.153 1.00 0.00 C ATOM 460 O GLU A 51 6.822 13.310 -2.694 1.00 0.00 O ATOM 461 CB GLU A 51 6.516 11.778 0.329 1.00 0.00 C ATOM 462 CG GLU A 51 5.495 11.470 1.434 1.00 0.00 C ATOM 463 CD GLU A 51 4.357 12.510 1.495 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.528 13.564 2.153 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.275 12.271 0.907 1.00 0.00 O ATOM 0 H GLU A 51 5.786 9.702 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 51 5.138 12.524 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.319 11.042 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.964 12.752 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.070 10.481 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.005 11.438 2.397 1.00 0.00 H new ATOM 472 N VAL A 52 7.920 11.360 -2.557 1.00 0.00 N ATOM 473 CA VAL A 52 8.847 11.698 -3.675 1.00 0.00 C ATOM 474 C VAL A 52 8.107 12.069 -4.954 1.00 0.00 C ATOM 475 O VAL A 52 8.404 13.096 -5.560 1.00 0.00 O ATOM 476 CB VAL A 52 9.871 10.603 -3.987 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.911 10.442 -2.879 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.317 9.209 -4.232 1.00 0.00 C ATOM 0 H VAL A 52 8.079 10.443 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 52 9.393 12.568 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 52 10.299 10.976 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.613 9.653 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.452 11.379 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.412 10.178 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.138 8.523 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.779 8.871 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.637 9.232 -5.083 1.00 0.00 H new ATOM 488 N MET A 53 7.109 11.277 -5.341 1.00 0.00 N ATOM 489 CA MET A 53 6.346 11.541 -6.573 1.00 0.00 C ATOM 490 C MET A 53 5.452 12.795 -6.481 1.00 0.00 C ATOM 491 O MET A 53 5.175 13.417 -7.504 1.00 0.00 O ATOM 492 CB MET A 53 5.573 10.299 -7.041 1.00 0.00 C ATOM 493 CG MET A 53 4.257 10.083 -6.288 1.00 0.00 C ATOM 494 SD MET A 53 3.360 8.573 -6.734 1.00 0.00 S ATOM 495 CE MET A 53 2.893 8.982 -8.441 1.00 0.00 C ATOM 0 H MET A 53 6.806 10.450 -4.827 1.00 0.00 H new ATOM 0 HA MET A 53 7.082 11.769 -7.344 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.363 10.391 -8.107 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.204 9.419 -6.916 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.467 10.061 -5.219 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.608 10.940 -6.468 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.171 8.252 -8.806 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.448 9.977 -8.468 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.779 8.963 -9.075 1.00 0.00 H new ATOM 505 N HIS A 54 5.046 13.203 -5.272 1.00 0.00 N ATOM 506 CA HIS A 54 4.327 14.458 -5.007 1.00 0.00 C ATOM 507 C HIS A 54 5.224 15.673 -5.302 1.00 0.00 C ATOM 508 O HIS A 54 4.927 16.460 -6.206 1.00 0.00 O ATOM 509 CB HIS A 54 3.792 14.435 -3.559 1.00 0.00 C ATOM 510 CG HIS A 54 3.699 15.789 -2.906 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.948 16.869 -3.374 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.472 16.200 -1.859 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.295 17.909 -2.597 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.195 17.534 -1.673 1.00 0.00 N ATOM 0 H HIS A 54 5.212 12.655 -4.428 1.00 0.00 H new ATOM 0 HA HIS A 54 3.471 14.551 -5.675 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.803 13.976 -3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.439 13.798 -2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.164 15.597 -1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.904 18.910 -2.701 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.603 18.135 -0.957 1.00 0.00 H new ATOM 522 N TYR A 55 6.366 15.782 -4.612 1.00 0.00 N ATOM 523 CA TYR A 55 7.378 16.812 -4.862 1.00 0.00 C ATOM 524 C TYR A 55 7.882 16.822 -6.319 1.00 0.00 C ATOM 525 O TYR A 55 8.105 17.889 -6.888 1.00 0.00 O ATOM 526 CB TYR A 55 8.554 16.621 -3.900 1.00 0.00 C ATOM 527 CG TYR A 55 8.198 16.672 -2.426 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.704 17.860 -1.856 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.404 15.542 -1.616 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.400 17.921 -0.482 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.082 15.592 -0.245 1.00 0.00 C ATOM 532 CZ TYR A 55 7.586 16.780 0.329 1.00 0.00 C ATOM 533 OH TYR A 55 7.307 16.826 1.662 1.00 0.00 O ATOM 0 H TYR A 55 6.615 15.147 -3.854 1.00 0.00 H new ATOM 0 HA TYR A 55 6.903 17.778 -4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.023 15.660 -4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.298 17.390 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.557 18.731 -2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.809 14.637 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.026 18.837 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.216 14.714 0.370 1.00 0.00 H new ATOM 0 HH TYR A 55 7.492 15.952 2.065 1.00 0.00 H new ATOM 543 N LEU A 56 8.012 15.652 -6.952 1.00 0.00 N ATOM 544 CA LEU A 56 8.413 15.518 -8.356 1.00 0.00 C ATOM 545 C LEU A 56 7.305 15.991 -9.322 1.00 0.00 C ATOM 546 O LEU A 56 7.604 16.694 -10.284 1.00 0.00 O ATOM 547 CB LEU A 56 8.872 14.063 -8.557 1.00 0.00 C ATOM 548 CG LEU A 56 9.645 13.736 -9.845 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.380 12.410 -9.634 1.00 0.00 C ATOM 550 CD2 LEU A 56 8.735 13.572 -11.058 1.00 0.00 C ATOM 0 H LEU A 56 7.839 14.756 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 56 9.247 16.177 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.499 13.787 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.990 13.424 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 56 10.322 14.568 -10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.937 12.155 -10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.070 12.506 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.657 11.623 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.338 13.342 -11.937 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.032 12.759 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.184 14.497 -11.228 1.00 0.00 H new ATOM 562 N GLY A 57 6.026 15.718 -9.043 1.00 0.00 N ATOM 563 CA GLY A 57 4.899 16.260 -9.817 1.00 0.00 C ATOM 564 C GLY A 57 4.883 17.795 -9.837 1.00 0.00 C ATOM 565 O GLY A 57 4.847 18.410 -10.907 1.00 0.00 O ATOM 0 H GLY A 57 5.740 15.114 -8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.952 15.887 -10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.963 15.896 -9.393 1.00 0.00 H new ATOM 569 N GLN A 58 5.046 18.431 -8.669 1.00 0.00 N ATOM 570 CA GLN A 58 5.167 19.894 -8.589 1.00 0.00 C ATOM 571 C GLN A 58 6.484 20.418 -9.198 1.00 0.00 C ATOM 572 O GLN A 58 6.471 21.491 -9.798 1.00 0.00 O ATOM 573 CB GLN A 58 4.809 20.433 -7.190 1.00 0.00 C ATOM 574 CG GLN A 58 5.802 20.093 -6.071 1.00 0.00 C ATOM 575 CD GLN A 58 5.304 20.438 -4.661 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.120 20.595 -4.393 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.185 20.545 -3.686 1.00 0.00 N ATOM 0 H GLN A 58 5.097 17.957 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 58 4.405 20.326 -9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.717 21.517 -7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.829 20.045 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.029 19.028 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.735 20.625 -6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.178 20.419 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.873 20.754 -2.738 1.00 0.00 H new ATOM 586 N TYR A 59 7.597 19.668 -9.144 1.00 0.00 N ATOM 587 CA TYR A 59 8.819 20.002 -9.900 1.00 0.00 C ATOM 588 C TYR A 59 8.529 20.091 -11.403 1.00 0.00 C ATOM 589 O TYR A 59 8.828 21.116 -12.008 1.00 0.00 O ATOM 590 CB TYR A 59 9.942 18.984 -9.637 1.00 0.00 C ATOM 591 CG TYR A 59 11.267 19.278 -10.326 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.478 18.864 -11.656 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.316 19.902 -9.625 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.749 18.988 -12.250 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.586 20.030 -10.215 1.00 0.00 C ATOM 596 CZ TYR A 59 13.816 19.542 -11.515 1.00 0.00 C ATOM 597 OH TYR A 59 15.057 19.654 -12.054 1.00 0.00 O ATOM 0 H TYR A 59 7.677 18.821 -8.581 1.00 0.00 H new ATOM 0 HA TYR A 59 9.157 20.978 -9.551 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.115 18.930 -8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.598 18.000 -9.954 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.659 18.448 -12.224 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.145 20.284 -8.630 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.906 18.659 -13.267 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.388 20.504 -9.669 1.00 0.00 H new ATOM 0 HH TYR A 59 15.204 18.924 -12.691 1.00 0.00 H new ATOM 607 N ILE A 60 7.886 19.079 -12.007 1.00 0.00 N ATOM 608 CA ILE A 60 7.497 19.120 -13.431 1.00 0.00 C ATOM 609 C ILE A 60 6.588 20.327 -13.694 1.00 0.00 C ATOM 610 O ILE A 60 6.773 21.025 -14.688 1.00 0.00 O ATOM 611 CB ILE A 60 6.776 17.826 -13.879 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.603 16.542 -13.662 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.409 17.916 -15.377 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.682 15.318 -13.564 1.00 0.00 C ATOM 0 H ILE A 60 7.622 18.217 -11.530 1.00 0.00 H new ATOM 0 HA ILE A 60 8.415 19.209 -14.012 1.00 0.00 H new ATOM 0 HB ILE A 60 5.887 17.754 -13.252 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.305 16.411 -14.486 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.194 16.633 -12.751 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.902 17.001 -15.683 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.749 18.768 -15.539 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.317 18.043 -15.967 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.283 14.422 -13.411 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.998 15.444 -12.725 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.110 15.218 -14.487 1.00 0.00 H new ATOM 626 N MET A 61 5.638 20.609 -12.799 1.00 0.00 N ATOM 627 CA MET A 61 4.711 21.735 -12.948 1.00 0.00 C ATOM 628 C MET A 61 5.414 23.111 -12.914 1.00 0.00 C ATOM 629 O MET A 61 5.018 24.018 -13.646 1.00 0.00 O ATOM 630 CB MET A 61 3.622 21.618 -11.870 1.00 0.00 C ATOM 631 CG MET A 61 2.354 22.400 -12.226 1.00 0.00 C ATOM 632 SD MET A 61 1.472 21.774 -13.688 1.00 0.00 S ATOM 633 CE MET A 61 1.613 23.210 -14.784 1.00 0.00 C ATOM 0 H MET A 61 5.489 20.063 -11.950 1.00 0.00 H new ATOM 0 HA MET A 61 4.257 21.680 -13.937 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.368 20.568 -11.727 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.015 21.983 -10.921 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.677 22.380 -11.372 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.621 23.443 -12.396 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.121 22.994 -15.732 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.138 24.072 -14.317 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.666 23.429 -14.963 1.00 0.00 H new ATOM 643 N VAL A 62 6.486 23.264 -12.122 1.00 0.00 N ATOM 644 CA VAL A 62 7.320 24.484 -12.064 1.00 0.00 C ATOM 645 C VAL A 62 8.285 24.565 -13.253 1.00 0.00 C ATOM 646 O VAL A 62 8.287 25.563 -13.980 1.00 0.00 O ATOM 647 CB VAL A 62 8.050 24.583 -10.713 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.088 25.711 -10.659 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.055 24.827 -9.570 1.00 0.00 C ATOM 0 H VAL A 62 6.808 22.531 -11.490 1.00 0.00 H new ATOM 0 HA VAL A 62 6.661 25.349 -12.141 1.00 0.00 H new ATOM 0 HB VAL A 62 8.563 23.628 -10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.563 25.722 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.844 25.547 -11.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.595 26.667 -10.834 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.595 24.893 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.518 25.759 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.344 24.002 -9.524 1.00 0.00 H new ATOM 659 N LYS A 63 9.067 23.500 -13.499 1.00 0.00 N ATOM 660 CA LYS A 63 10.023 23.410 -14.622 1.00 0.00 C ATOM 661 C LYS A 63 9.342 23.364 -15.999 1.00 0.00 C ATOM 662 O LYS A 63 10.006 23.593 -17.009 1.00 0.00 O ATOM 663 CB LYS A 63 10.929 22.171 -14.471 1.00 0.00 C ATOM 664 CG LYS A 63 11.831 22.061 -13.234 1.00 0.00 C ATOM 665 CD LYS A 63 12.554 23.353 -12.842 1.00 0.00 C ATOM 666 CE LYS A 63 13.806 23.097 -11.988 1.00 0.00 C ATOM 667 NZ LYS A 63 14.920 22.482 -12.770 1.00 0.00 N ATOM 0 H LYS A 63 9.054 22.663 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 63 10.617 24.323 -14.577 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.289 21.289 -14.492 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.569 22.121 -15.352 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.226 21.731 -12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.576 21.286 -13.414 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.839 23.893 -13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.868 23.995 -12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.146 24.039 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.546 22.442 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.815 22.954 -12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.989 21.470 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.733 22.593 -13.787 1.00 0.00 H new ATOM 681 N GLN A 64 8.034 23.085 -16.034 1.00 0.00 N ATOM 682 CA GLN A 64 7.131 23.081 -17.194 1.00 0.00 C ATOM 683 C GLN A 64 7.703 22.358 -18.428 1.00 0.00 C ATOM 684 O GLN A 64 7.668 22.859 -19.553 1.00 0.00 O ATOM 685 CB GLN A 64 6.516 24.477 -17.413 1.00 0.00 C ATOM 686 CG GLN A 64 7.507 25.598 -17.765 1.00 0.00 C ATOM 687 CD GLN A 64 6.934 26.973 -17.433 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.412 27.690 -18.279 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.004 27.389 -16.182 1.00 0.00 N ATOM 0 H GLN A 64 7.536 22.835 -15.179 1.00 0.00 H new ATOM 0 HA GLN A 64 6.277 22.442 -16.970 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.778 24.407 -18.212 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.980 24.763 -16.508 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.438 25.448 -17.217 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.750 25.550 -18.826 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.437 26.799 -15.472 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.625 28.301 -15.926 1.00 0.00 H new ATOM 698 N LEU A 65 8.249 21.155 -18.190 1.00 0.00 N ATOM 699 CA LEU A 65 8.981 20.354 -19.185 1.00 0.00 C ATOM 700 C LEU A 65 8.063 19.484 -20.078 1.00 0.00 C ATOM 701 O LEU A 65 8.540 18.670 -20.871 1.00 0.00 O ATOM 702 CB LEU A 65 10.035 19.472 -18.482 1.00 0.00 C ATOM 703 CG LEU A 65 11.043 20.167 -17.551 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.822 19.149 -16.718 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.035 21.030 -18.329 1.00 0.00 C ATOM 0 H LEU A 65 8.193 20.701 -17.278 1.00 0.00 H new ATOM 0 HA LEU A 65 9.471 21.063 -19.852 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.506 18.717 -17.900 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.598 18.944 -19.252 1.00 0.00 H new ATOM 0 HG LEU A 65 10.459 20.808 -16.891 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.526 19.671 -16.070 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.128 18.571 -16.108 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.368 18.478 -17.381 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.729 21.503 -17.634 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.591 20.405 -19.028 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.494 21.799 -18.881 1.00 0.00 H new ATOM 717 N TYR A 66 6.743 19.609 -19.931 1.00 0.00 N ATOM 718 CA TYR A 66 5.748 18.910 -20.748 1.00 0.00 C ATOM 719 C TYR A 66 5.551 19.560 -22.130 1.00 0.00 C ATOM 720 O TYR A 66 5.939 20.709 -22.366 1.00 0.00 O ATOM 721 CB TYR A 66 4.432 18.790 -19.965 1.00 0.00 C ATOM 722 CG TYR A 66 3.932 20.104 -19.394 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.309 21.046 -20.231 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.151 20.404 -18.037 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.917 22.299 -19.727 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.751 21.653 -17.520 1.00 0.00 C ATOM 727 CZ TYR A 66 3.141 22.608 -18.365 1.00 0.00 C ATOM 728 OH TYR A 66 2.786 23.824 -17.865 1.00 0.00 O ATOM 0 H TYR A 66 6.325 20.214 -19.224 1.00 0.00 H new ATOM 0 HA TYR A 66 6.121 17.907 -20.956 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.667 18.376 -20.622 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.570 18.080 -19.149 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.130 20.806 -21.269 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.625 19.679 -17.392 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.447 23.022 -20.377 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.911 21.881 -16.476 1.00 0.00 H new ATOM 0 HH TYR A 66 2.014 24.169 -18.360 1.00 0.00 H new ATOM 738 N ASP A 67 4.942 18.824 -23.060 1.00 0.00 N ATOM 739 CA ASP A 67 4.634 19.316 -24.408 1.00 0.00 C ATOM 740 C ASP A 67 3.458 20.321 -24.422 1.00 0.00 C ATOM 741 O ASP A 67 2.539 20.261 -23.603 1.00 0.00 O ATOM 742 CB ASP A 67 4.387 18.125 -25.336 1.00 0.00 C ATOM 743 CG ASP A 67 4.081 18.580 -26.767 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.032 18.826 -27.546 1.00 0.00 O ATOM 745 OD2 ASP A 67 2.880 18.748 -27.075 1.00 0.00 O ATOM 0 H ASP A 67 4.645 17.861 -22.900 1.00 0.00 H new ATOM 0 HA ASP A 67 5.494 19.877 -24.774 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.264 17.477 -25.339 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.554 17.533 -24.956 1.00 0.00 H new ATOM 750 N GLN A 68 3.482 21.252 -25.378 1.00 0.00 N ATOM 751 CA GLN A 68 2.521 22.359 -25.501 1.00 0.00 C ATOM 752 C GLN A 68 1.083 21.870 -25.778 1.00 0.00 C ATOM 753 O GLN A 68 0.122 22.519 -25.357 1.00 0.00 O ATOM 754 CB GLN A 68 2.907 23.341 -26.637 1.00 0.00 C ATOM 755 CG GLN A 68 4.390 23.643 -26.931 1.00 0.00 C ATOM 756 CD GLN A 68 5.200 22.424 -27.380 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.246 22.112 -26.829 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.709 21.611 -28.292 1.00 0.00 N ATOM 0 H GLN A 68 4.190 21.260 -26.112 1.00 0.00 H new ATOM 0 HA GLN A 68 2.555 22.866 -24.537 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.466 22.959 -27.558 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.420 24.292 -26.421 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.447 24.409 -27.705 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.849 24.061 -26.035 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.838 21.845 -28.768 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.200 20.747 -28.522 1.00 0.00 H new ATOM 767 N GLN A 69 0.929 20.745 -26.489 1.00 0.00 N ATOM 768 CA GLN A 69 -0.346 20.107 -26.809 1.00 0.00 C ATOM 769 C GLN A 69 -0.579 18.888 -25.903 1.00 0.00 C ATOM 770 O GLN A 69 -1.726 18.592 -25.559 1.00 0.00 O ATOM 771 CB GLN A 69 -0.369 19.716 -28.299 1.00 0.00 C ATOM 772 CG GLN A 69 -0.491 20.911 -29.267 1.00 0.00 C ATOM 773 CD GLN A 69 0.784 21.739 -29.484 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.916 21.278 -29.406 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.653 23.013 -29.797 1.00 0.00 N ATOM 0 H GLN A 69 1.726 20.236 -26.871 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.159 20.810 -26.626 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.543 19.166 -28.532 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.204 19.037 -28.472 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.825 20.536 -30.234 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.272 21.575 -28.896 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.276 23.427 -29.870 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.481 23.584 -29.966 1.00 0.00 H new ATOM 784 N GLU A 70 0.491 18.217 -25.463 1.00 0.00 N ATOM 785 CA GLU A 70 0.430 17.084 -24.534 1.00 0.00 C ATOM 786 C GLU A 70 1.001 17.444 -23.161 1.00 0.00 C ATOM 787 O GLU A 70 2.112 17.050 -22.811 1.00 0.00 O ATOM 788 CB GLU A 70 1.094 15.824 -25.112 1.00 0.00 C ATOM 789 CG GLU A 70 0.630 15.549 -26.536 1.00 0.00 C ATOM 790 CD GLU A 70 0.766 14.064 -26.922 1.00 0.00 C ATOM 791 OE1 GLU A 70 1.909 13.575 -27.100 1.00 0.00 O ATOM 792 OE2 GLU A 70 -0.273 13.376 -27.082 1.00 0.00 O ATOM 0 H GLU A 70 1.442 18.451 -25.748 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.625 16.849 -24.394 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.177 15.944 -25.098 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.860 14.967 -24.481 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.411 15.855 -26.641 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.213 16.156 -27.229 1.00 0.00 H new ATOM 799 N GLN A 71 0.197 18.123 -22.336 1.00 0.00 N ATOM 800 CA GLN A 71 0.530 18.340 -20.919 1.00 0.00 C ATOM 801 C GLN A 71 0.752 17.006 -20.177 1.00 0.00 C ATOM 802 O GLN A 71 1.452 16.966 -19.163 1.00 0.00 O ATOM 803 CB GLN A 71 -0.585 19.138 -20.232 1.00 0.00 C ATOM 804 CG GLN A 71 -0.708 20.566 -20.797 1.00 0.00 C ATOM 805 CD GLN A 71 -1.813 21.401 -20.145 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.441 21.037 -19.158 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.101 22.570 -20.683 1.00 0.00 N ATOM 0 H GLN A 71 -0.691 18.534 -22.623 1.00 0.00 H new ATOM 0 HA GLN A 71 1.461 18.906 -20.880 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.534 18.616 -20.357 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.388 19.188 -19.161 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.245 21.080 -20.669 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.896 20.507 -21.869 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.591 22.893 -21.505 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.834 23.152 -20.277 1.00 0.00 H new ATOM 816 N HIS A 72 0.192 15.906 -20.708 1.00 0.00 N ATOM 817 CA HIS A 72 0.416 14.554 -20.204 1.00 0.00 C ATOM 818 C HIS A 72 1.781 13.955 -20.608 1.00 0.00 C ATOM 819 O HIS A 72 2.277 13.092 -19.879 1.00 0.00 O ATOM 820 CB HIS A 72 -0.770 13.639 -20.584 1.00 0.00 C ATOM 821 CG HIS A 72 -0.466 12.695 -21.721 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.210 13.084 -23.036 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.193 11.364 -21.592 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.232 11.985 -23.667 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.242 10.935 -22.828 1.00 0.00 N ATOM 0 H HIS A 72 -0.437 15.939 -21.511 1.00 0.00 H new ATOM 0 HA HIS A 72 0.463 14.623 -19.117 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.064 13.058 -19.710 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.624 14.260 -20.857 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.297 10.766 -20.699 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.537 11.949 -24.703 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.523 9.984 -23.065 1.00 0.00 H new ATOM 833 N MET A 73 2.399 14.378 -21.726 1.00 0.00 N ATOM 834 CA MET A 73 3.736 13.915 -22.126 1.00 0.00 C ATOM 835 C MET A 73 4.829 14.802 -21.510 1.00 0.00 C ATOM 836 O MET A 73 4.804 16.022 -21.680 1.00 0.00 O ATOM 837 CB MET A 73 3.856 13.884 -23.657 1.00 0.00 C ATOM 838 CG MET A 73 5.190 13.295 -24.129 1.00 0.00 C ATOM 839 SD MET A 73 5.501 11.591 -23.591 1.00 0.00 S ATOM 840 CE MET A 73 7.216 11.419 -24.146 1.00 0.00 C ATOM 0 H MET A 73 1.985 15.048 -22.374 1.00 0.00 H new ATOM 0 HA MET A 73 3.875 12.902 -21.750 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.036 13.296 -24.071 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.751 14.896 -24.047 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.221 13.329 -25.218 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.999 13.929 -23.767 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.626 10.480 -23.774 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.248 11.423 -25.236 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.808 12.250 -23.763 1.00 0.00 H new ATOM 850 N VAL A 74 5.813 14.208 -20.827 1.00 0.00 N ATOM 851 CA VAL A 74 6.842 14.927 -20.054 1.00 0.00 C ATOM 852 C VAL A 74 8.246 14.613 -20.584 1.00 0.00 C ATOM 853 O VAL A 74 8.659 13.454 -20.654 1.00 0.00 O ATOM 854 CB VAL A 74 6.742 14.599 -18.550 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.717 15.467 -17.744 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.331 14.850 -17.994 1.00 0.00 C ATOM 0 H VAL A 74 5.922 13.194 -20.793 1.00 0.00 H new ATOM 0 HA VAL A 74 6.662 15.995 -20.178 1.00 0.00 H new ATOM 0 HB VAL A 74 6.986 13.541 -18.451 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.633 15.222 -16.685 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.736 15.277 -18.080 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.476 16.519 -17.893 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.309 14.605 -16.932 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.068 15.899 -18.130 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.614 14.224 -18.525 1.00 0.00 H new ATOM 866 N TYR A 75 9.005 15.656 -20.919 1.00 0.00 N ATOM 867 CA TYR A 75 10.428 15.582 -21.263 1.00 0.00 C ATOM 868 C TYR A 75 11.306 16.011 -20.077 1.00 0.00 C ATOM 869 O TYR A 75 10.817 16.565 -19.097 1.00 0.00 O ATOM 870 CB TYR A 75 10.680 16.422 -22.522 1.00 0.00 C ATOM 871 CG TYR A 75 10.002 15.797 -23.720 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.561 14.632 -24.273 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.772 16.291 -24.197 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.885 13.943 -25.292 1.00 0.00 C ATOM 875 CE2 TYR A 75 8.104 15.614 -25.235 1.00 0.00 C ATOM 876 CZ TYR A 75 8.657 14.437 -25.787 1.00 0.00 C ATOM 877 OH TYR A 75 7.998 13.787 -26.787 1.00 0.00 O ATOM 0 H TYR A 75 8.637 16.606 -20.960 1.00 0.00 H new ATOM 0 HA TYR A 75 10.705 14.551 -21.482 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.305 17.434 -22.372 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.752 16.503 -22.704 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.512 14.267 -23.913 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.343 17.185 -23.768 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.304 13.034 -25.698 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.166 15.996 -25.610 1.00 0.00 H new ATOM 0 HH TYR A 75 7.171 14.268 -27.000 1.00 0.00 H new ATOM 887 N CYS A 76 12.611 15.750 -20.156 1.00 0.00 N ATOM 888 CA CYS A 76 13.632 16.151 -19.176 1.00 0.00 C ATOM 889 C CYS A 76 14.999 16.410 -19.837 1.00 0.00 C ATOM 890 O CYS A 76 16.045 16.174 -19.229 1.00 0.00 O ATOM 891 CB CYS A 76 13.733 15.074 -18.087 1.00 0.00 C ATOM 892 SG CYS A 76 12.441 15.251 -16.830 1.00 0.00 S ATOM 0 H CYS A 76 13.008 15.230 -20.939 1.00 0.00 H new ATOM 0 HA CYS A 76 13.328 17.095 -18.724 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.659 14.088 -18.545 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.712 15.132 -17.611 1.00 0.00 H new ATOM 0 HG CYS A 76 11.395 15.812 -17.359 1.00 0.00 H new ATOM 898 N GLY A 77 15.012 16.836 -21.104 1.00 0.00 N ATOM 899 CA GLY A 77 16.240 16.919 -21.895 1.00 0.00 C ATOM 900 C GLY A 77 17.261 17.893 -21.295 1.00 0.00 C ATOM 901 O GLY A 77 17.017 19.101 -21.226 1.00 0.00 O ATOM 0 H GLY A 77 14.175 17.131 -21.607 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.688 15.928 -21.969 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.994 17.234 -22.909 1.00 0.00 H new ATOM 905 N GLY A 78 18.395 17.355 -20.838 1.00 0.00 N ATOM 906 CA GLY A 78 19.457 18.090 -20.149 1.00 0.00 C ATOM 907 C GLY A 78 19.124 18.555 -18.720 1.00 0.00 C ATOM 908 O GLY A 78 19.870 19.375 -18.179 1.00 0.00 O ATOM 0 H GLY A 78 18.605 16.362 -20.941 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.344 17.458 -20.109 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.715 18.965 -20.746 1.00 0.00 H new ATOM 912 N ASP A 79 18.035 18.083 -18.094 1.00 0.00 N ATOM 913 CA ASP A 79 17.631 18.495 -16.751 1.00 0.00 C ATOM 914 C ASP A 79 18.174 17.529 -15.679 1.00 0.00 C ATOM 915 O ASP A 79 18.336 16.320 -15.901 1.00 0.00 O ATOM 916 CB ASP A 79 16.101 18.650 -16.705 1.00 0.00 C ATOM 917 CG ASP A 79 15.653 19.389 -15.440 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.588 20.641 -15.436 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.415 18.707 -14.421 1.00 0.00 O ATOM 0 H ASP A 79 17.407 17.398 -18.515 1.00 0.00 H new ATOM 0 HA ASP A 79 18.070 19.465 -16.518 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.762 19.195 -17.586 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.633 17.666 -16.739 1.00 0.00 H new ATOM 924 N LEU A 80 18.412 18.056 -14.474 1.00 0.00 N ATOM 925 CA LEU A 80 18.819 17.249 -13.324 1.00 0.00 C ATOM 926 C LEU A 80 17.800 16.147 -12.990 1.00 0.00 C ATOM 927 O LEU A 80 18.185 15.099 -12.485 1.00 0.00 O ATOM 928 CB LEU A 80 19.129 18.139 -12.115 1.00 0.00 C ATOM 929 CG LEU A 80 20.348 19.062 -12.291 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.510 19.912 -11.029 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.656 18.298 -12.514 1.00 0.00 C ATOM 0 H LEU A 80 18.328 19.052 -14.271 1.00 0.00 H new ATOM 0 HA LEU A 80 19.739 16.732 -13.597 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.254 18.752 -11.899 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.295 17.503 -11.246 1.00 0.00 H new ATOM 0 HG LEU A 80 20.160 19.669 -13.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.371 20.571 -11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.612 20.511 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.662 19.260 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.476 19.007 -12.631 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.852 17.654 -11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.572 17.688 -13.414 1.00 0.00 H new ATOM 943 N LEU A 81 16.516 16.337 -13.304 1.00 0.00 N ATOM 944 CA LEU A 81 15.499 15.290 -13.191 1.00 0.00 C ATOM 945 C LEU A 81 15.725 14.138 -14.191 1.00 0.00 C ATOM 946 O LEU A 81 15.571 12.974 -13.827 1.00 0.00 O ATOM 947 CB LEU A 81 14.118 15.947 -13.346 1.00 0.00 C ATOM 948 CG LEU A 81 12.933 14.971 -13.189 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.906 14.334 -11.798 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.590 15.679 -13.363 1.00 0.00 C ATOM 0 H LEU A 81 16.151 17.226 -13.645 1.00 0.00 H new ATOM 0 HA LEU A 81 15.567 14.820 -12.210 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.021 16.741 -12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.060 16.417 -14.328 1.00 0.00 H new ATOM 0 HG LEU A 81 13.076 14.215 -13.961 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.058 13.653 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.830 13.781 -11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.811 15.114 -11.042 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.781 14.958 -13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.491 16.462 -12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.539 16.123 -14.357 1.00 0.00 H new ATOM 962 N GLY A 82 16.170 14.434 -15.418 1.00 0.00 N ATOM 963 CA GLY A 82 16.616 13.416 -16.379 1.00 0.00 C ATOM 964 C GLY A 82 17.874 12.690 -15.902 1.00 0.00 C ATOM 965 O GLY A 82 17.959 11.468 -16.018 1.00 0.00 O ATOM 0 H GLY A 82 16.231 15.388 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.817 12.691 -16.536 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.813 13.888 -17.342 1.00 0.00 H new ATOM 969 N GLU A 83 18.813 13.401 -15.270 1.00 0.00 N ATOM 970 CA GLU A 83 19.981 12.803 -14.629 1.00 0.00 C ATOM 971 C GLU A 83 19.597 11.920 -13.417 1.00 0.00 C ATOM 972 O GLU A 83 20.172 10.846 -13.232 1.00 0.00 O ATOM 973 CB GLU A 83 20.898 13.976 -14.277 1.00 0.00 C ATOM 974 CG GLU A 83 22.006 13.682 -13.279 1.00 0.00 C ATOM 975 CD GLU A 83 23.028 12.620 -13.741 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.270 12.468 -14.964 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.634 11.948 -12.871 1.00 0.00 O ATOM 0 H GLU A 83 18.780 14.417 -15.190 1.00 0.00 H new ATOM 0 HA GLU A 83 20.497 12.106 -15.289 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.353 14.344 -15.197 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.284 14.784 -13.880 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.538 14.609 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.555 13.350 -12.344 1.00 0.00 H new ATOM 984 N LEU A 84 18.591 12.325 -12.629 1.00 0.00 N ATOM 985 CA LEU A 84 18.079 11.591 -11.465 1.00 0.00 C ATOM 986 C LEU A 84 17.375 10.282 -11.865 1.00 0.00 C ATOM 987 O LEU A 84 17.615 9.240 -11.251 1.00 0.00 O ATOM 988 CB LEU A 84 17.136 12.518 -10.672 1.00 0.00 C ATOM 989 CG LEU A 84 16.484 11.895 -9.421 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.507 11.527 -8.348 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.495 12.887 -8.804 1.00 0.00 C ATOM 0 H LEU A 84 18.095 13.202 -12.790 1.00 0.00 H new ATOM 0 HA LEU A 84 18.920 11.298 -10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.697 13.401 -10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.345 12.859 -11.340 1.00 0.00 H new ATOM 0 HG LEU A 84 15.983 10.985 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.994 11.093 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.214 10.803 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.044 12.422 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.037 12.442 -7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.022 13.798 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.720 13.129 -9.532 1.00 0.00 H new ATOM 1003 N LEU A 85 16.527 10.324 -12.900 1.00 0.00 N ATOM 1004 CA LEU A 85 15.821 9.141 -13.417 1.00 0.00 C ATOM 1005 C LEU A 85 16.713 8.265 -14.318 1.00 0.00 C ATOM 1006 O LEU A 85 16.444 7.073 -14.475 1.00 0.00 O ATOM 1007 CB LEU A 85 14.542 9.564 -14.175 1.00 0.00 C ATOM 1008 CG LEU A 85 13.296 9.719 -13.283 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.373 10.906 -12.331 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.061 9.936 -14.157 1.00 0.00 C ATOM 0 H LEU A 85 16.309 11.182 -13.406 1.00 0.00 H new ATOM 0 HA LEU A 85 15.545 8.534 -12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.731 10.510 -14.682 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.331 8.825 -14.948 1.00 0.00 H new ATOM 0 HG LEU A 85 13.238 8.803 -12.695 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.462 10.954 -11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.233 10.788 -11.672 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.479 11.827 -12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.181 10.045 -13.523 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.192 10.838 -14.754 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.928 9.079 -14.818 1.00 0.00 H new ATOM 1022 N GLY A 86 17.745 8.847 -14.938 1.00 0.00 N ATOM 1023 CA GLY A 86 18.550 8.209 -15.987 1.00 0.00 C ATOM 1024 C GLY A 86 17.855 8.180 -17.359 1.00 0.00 C ATOM 1025 O GLY A 86 18.389 7.593 -18.303 1.00 0.00 O ATOM 0 H GLY A 86 18.051 9.795 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.498 8.739 -16.080 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.784 7.188 -15.685 1.00 0.00 H new ATOM 1029 N ARG A 87 16.669 8.804 -17.474 1.00 0.00 N ATOM 1030 CA ARG A 87 15.838 8.898 -18.690 1.00 0.00 C ATOM 1031 C ARG A 87 15.249 10.290 -18.856 1.00 0.00 C ATOM 1032 O ARG A 87 14.830 10.912 -17.885 1.00 0.00 O ATOM 1033 CB ARG A 87 14.707 7.846 -18.672 1.00 0.00 C ATOM 1034 CG ARG A 87 15.244 6.421 -18.832 1.00 0.00 C ATOM 1035 CD ARG A 87 14.134 5.360 -18.782 1.00 0.00 C ATOM 1036 NE ARG A 87 14.606 4.093 -18.184 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.238 3.093 -18.768 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.556 3.099 -20.033 1.00 0.00 N ATOM 1039 NH2 ARG A 87 15.563 2.053 -18.060 1.00 0.00 N ATOM 0 H ARG A 87 16.241 9.281 -16.681 1.00 0.00 H new ATOM 0 HA ARG A 87 16.490 8.698 -19.541 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.156 7.922 -17.734 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.001 8.059 -19.475 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.775 6.341 -19.781 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.969 6.220 -18.044 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.293 5.742 -18.204 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.768 5.170 -19.791 1.00 0.00 H new ATOM 0 HE ARG A 87 14.418 3.977 -17.188 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.316 3.901 -20.615 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.045 2.302 -20.440 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.329 2.018 -17.068 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.052 1.271 -18.496 1.00 0.00 H new ATOM 1053 N GLN A 88 15.194 10.754 -20.104 1.00 0.00 N ATOM 1054 CA GLN A 88 14.802 12.125 -20.455 1.00 0.00 C ATOM 1055 C GLN A 88 13.362 12.238 -20.975 1.00 0.00 C ATOM 1056 O GLN A 88 12.966 13.303 -21.448 1.00 0.00 O ATOM 1057 CB GLN A 88 15.854 12.759 -21.378 1.00 0.00 C ATOM 1058 CG GLN A 88 17.195 12.860 -20.634 1.00 0.00 C ATOM 1059 CD GLN A 88 18.321 13.411 -21.508 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.757 14.544 -21.365 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.839 12.644 -22.446 1.00 0.00 N ATOM 0 H GLN A 88 15.424 10.181 -20.916 1.00 0.00 H new ATOM 0 HA GLN A 88 14.784 12.712 -19.536 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.971 12.158 -22.280 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.526 13.749 -21.694 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.073 13.501 -19.761 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.476 11.873 -20.268 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.488 11.696 -22.581 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.591 12.999 -23.037 1.00 0.00 H new ATOM 1070 N SER A 89 12.566 11.171 -20.865 1.00 0.00 N ATOM 1071 CA SER A 89 11.113 11.240 -21.120 1.00 0.00 C ATOM 1072 C SER A 89 10.279 10.174 -20.394 1.00 0.00 C ATOM 1073 O SER A 89 10.741 9.059 -20.136 1.00 0.00 O ATOM 1074 CB SER A 89 10.804 11.223 -22.623 1.00 0.00 C ATOM 1075 OG SER A 89 11.230 10.012 -23.234 1.00 0.00 O ATOM 0 H SER A 89 12.899 10.244 -20.601 1.00 0.00 H new ATOM 0 HA SER A 89 10.808 12.196 -20.695 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.732 11.350 -22.776 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.297 12.067 -23.105 1.00 0.00 H new ATOM 0 HG SER A 89 11.016 10.035 -24.190 1.00 0.00 H new ATOM 1081 N PHE A 90 9.038 10.543 -20.057 1.00 0.00 N ATOM 1082 CA PHE A 90 7.977 9.714 -19.461 1.00 0.00 C ATOM 1083 C PHE A 90 6.607 10.399 -19.668 1.00 0.00 C ATOM 1084 O PHE A 90 6.535 11.485 -20.244 1.00 0.00 O ATOM 1085 CB PHE A 90 8.273 9.475 -17.967 1.00 0.00 C ATOM 1086 CG PHE A 90 8.464 10.716 -17.116 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.364 11.306 -16.466 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.753 11.261 -16.947 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.553 12.442 -15.661 1.00 0.00 C ATOM 1090 CE2 PHE A 90 9.939 12.397 -16.142 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.839 12.987 -15.498 1.00 0.00 C ATOM 0 H PHE A 90 8.722 11.502 -20.204 1.00 0.00 H new ATOM 0 HA PHE A 90 7.947 8.742 -19.953 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.455 8.892 -17.544 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.172 8.864 -17.889 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.376 10.886 -16.586 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.600 10.804 -17.438 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.708 12.898 -15.166 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.927 12.816 -16.018 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.981 13.859 -14.877 1.00 0.00 H new ATOM 1101 N SER A 91 5.500 9.803 -19.218 1.00 0.00 N ATOM 1102 CA SER A 91 4.173 10.432 -19.312 1.00 0.00 C ATOM 1103 C SER A 91 3.267 10.115 -18.119 1.00 0.00 C ATOM 1104 O SER A 91 3.582 9.273 -17.279 1.00 0.00 O ATOM 1105 CB SER A 91 3.504 10.020 -20.627 1.00 0.00 C ATOM 1106 OG SER A 91 2.965 8.715 -20.521 1.00 0.00 O ATOM 0 H SER A 91 5.493 8.881 -18.782 1.00 0.00 H new ATOM 0 HA SER A 91 4.324 11.511 -19.294 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.713 10.727 -20.877 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.231 10.055 -21.438 1.00 0.00 H new ATOM 0 HG SER A 91 2.831 8.343 -21.418 1.00 0.00 H new ATOM 1112 N VAL A 92 2.104 10.769 -18.059 1.00 0.00 N ATOM 1113 CA VAL A 92 1.059 10.479 -17.058 1.00 0.00 C ATOM 1114 C VAL A 92 0.413 9.092 -17.277 1.00 0.00 C ATOM 1115 O VAL A 92 -0.105 8.510 -16.322 1.00 0.00 O ATOM 1116 CB VAL A 92 0.026 11.627 -17.032 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -1.151 11.397 -16.076 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.694 12.946 -16.608 1.00 0.00 C ATOM 0 H VAL A 92 1.854 11.519 -18.704 1.00 0.00 H new ATOM 0 HA VAL A 92 1.523 10.427 -16.073 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.361 11.668 -18.050 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.828 12.250 -16.120 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.686 10.494 -16.369 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.777 11.283 -15.059 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.050 13.743 -16.596 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.122 12.833 -15.612 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.484 13.198 -17.316 1.00 0.00 H new ATOM 1128 N LYS A 93 0.488 8.512 -18.492 1.00 0.00 N ATOM 1129 CA LYS A 93 0.045 7.124 -18.761 1.00 0.00 C ATOM 1130 C LYS A 93 1.162 6.075 -18.635 1.00 0.00 C ATOM 1131 O LYS A 93 0.871 4.903 -18.395 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.730 7.024 -20.090 1.00 0.00 C ATOM 1133 CG LYS A 93 0.128 7.107 -21.363 1.00 0.00 C ATOM 1134 CD LYS A 93 -0.721 6.821 -22.611 1.00 0.00 C ATOM 1135 CE LYS A 93 0.161 6.736 -23.866 1.00 0.00 C ATOM 1136 NZ LYS A 93 -0.644 6.433 -25.082 1.00 0.00 N ATOM 0 H LYS A 93 0.856 8.990 -19.315 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.652 6.871 -17.963 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.277 6.081 -20.102 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.471 7.823 -20.119 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.576 8.098 -21.441 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.947 6.390 -21.303 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.264 5.885 -22.479 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.465 7.607 -22.737 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.690 7.679 -24.005 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.918 5.964 -23.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.017 6.383 -25.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.129 5.521 -24.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.350 7.183 -25.227 1.00 0.00 H new ATOM 1150 N ASP A 94 2.425 6.490 -18.747 1.00 0.00 N ATOM 1151 CA ASP A 94 3.620 5.666 -18.535 1.00 0.00 C ATOM 1152 C ASP A 94 4.657 6.388 -17.640 1.00 0.00 C ATOM 1153 O ASP A 94 5.661 6.915 -18.137 1.00 0.00 O ATOM 1154 CB ASP A 94 4.200 5.238 -19.893 1.00 0.00 C ATOM 1155 CG ASP A 94 5.411 4.296 -19.742 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.529 3.606 -18.699 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.233 4.217 -20.688 1.00 0.00 O ATOM 0 H ASP A 94 2.655 7.451 -18.999 1.00 0.00 H new ATOM 0 HA ASP A 94 3.340 4.763 -17.993 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.425 4.739 -20.475 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.499 6.124 -20.453 1.00 0.00 H new ATOM 1162 N PRO A 95 4.430 6.424 -16.309 1.00 0.00 N ATOM 1163 CA PRO A 95 5.345 7.018 -15.328 1.00 0.00 C ATOM 1164 C PRO A 95 6.501 6.082 -14.922 1.00 0.00 C ATOM 1165 O PRO A 95 7.294 6.425 -14.043 1.00 0.00 O ATOM 1166 CB PRO A 95 4.448 7.364 -14.135 1.00 0.00 C ATOM 1167 CG PRO A 95 3.429 6.223 -14.153 1.00 0.00 C ATOM 1168 CD PRO A 95 3.199 6.006 -15.646 1.00 0.00 C ATOM 0 HA PRO A 95 5.854 7.889 -15.741 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.008 7.395 -13.200 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.971 8.337 -14.253 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.815 5.327 -13.668 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.508 6.493 -13.636 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.978 4.960 -15.858 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.349 6.590 -15.998 1.00 0.00 H new ATOM 1176 N SER A 96 6.603 4.895 -15.532 1.00 0.00 N ATOM 1177 CA SER A 96 7.529 3.810 -15.161 1.00 0.00 C ATOM 1178 C SER A 96 8.988 4.244 -14.910 1.00 0.00 C ATOM 1179 O SER A 96 9.567 3.743 -13.947 1.00 0.00 O ATOM 1180 CB SER A 96 7.488 2.676 -16.200 1.00 0.00 C ATOM 1181 OG SER A 96 6.155 2.290 -16.497 1.00 0.00 O ATOM 0 H SER A 96 6.019 4.651 -16.332 1.00 0.00 H new ATOM 0 HA SER A 96 7.162 3.456 -14.197 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.986 3.000 -17.114 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.042 1.816 -15.823 1.00 0.00 H new ATOM 0 HG SER A 96 5.806 2.850 -17.221 1.00 0.00 H new ATOM 1187 N PRO A 97 9.594 5.202 -15.650 1.00 0.00 N ATOM 1188 CA PRO A 97 10.952 5.700 -15.376 1.00 0.00 C ATOM 1189 C PRO A 97 11.209 6.270 -13.965 1.00 0.00 C ATOM 1190 O PRO A 97 12.335 6.195 -13.476 1.00 0.00 O ATOM 1191 CB PRO A 97 11.194 6.759 -16.454 1.00 0.00 C ATOM 1192 CG PRO A 97 10.427 6.183 -17.642 1.00 0.00 C ATOM 1193 CD PRO A 97 9.155 5.709 -16.948 1.00 0.00 C ATOM 0 HA PRO A 97 11.646 4.860 -15.404 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.814 7.737 -16.158 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.254 6.883 -16.674 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.227 6.932 -18.408 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.964 5.367 -18.126 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.442 6.525 -16.831 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.657 4.931 -17.527 1.00 0.00 H new ATOM 1201 N LEU A 98 10.187 6.797 -13.278 1.00 0.00 N ATOM 1202 CA LEU A 98 10.274 7.230 -11.871 1.00 0.00 C ATOM 1203 C LEU A 98 10.438 6.007 -10.949 1.00 0.00 C ATOM 1204 O LEU A 98 11.353 5.904 -10.121 1.00 0.00 O ATOM 1205 CB LEU A 98 8.997 8.056 -11.593 1.00 0.00 C ATOM 1206 CG LEU A 98 8.873 8.743 -10.220 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.749 9.776 -10.284 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.515 7.786 -9.082 1.00 0.00 C ATOM 0 H LEU A 98 9.263 6.938 -13.686 1.00 0.00 H new ATOM 0 HA LEU A 98 11.148 7.851 -11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.922 8.826 -12.361 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.138 7.397 -11.717 1.00 0.00 H new ATOM 0 HG LEU A 98 9.851 9.178 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.652 10.269 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.980 10.518 -11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.812 9.279 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.445 8.342 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.557 7.311 -9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.287 7.022 -8.993 1.00 0.00 H new ATOM 1220 N TYR A 99 9.575 5.016 -11.149 1.00 0.00 N ATOM 1221 CA TYR A 99 9.624 3.773 -10.394 1.00 0.00 C ATOM 1222 C TYR A 99 10.869 2.943 -10.727 1.00 0.00 C ATOM 1223 O TYR A 99 11.389 2.273 -9.849 1.00 0.00 O ATOM 1224 CB TYR A 99 8.341 2.978 -10.617 1.00 0.00 C ATOM 1225 CG TYR A 99 7.072 3.713 -10.222 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.621 3.669 -8.888 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.344 4.438 -11.186 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.435 4.334 -8.519 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.165 5.113 -10.817 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.701 5.056 -9.486 1.00 0.00 C ATOM 1231 OH TYR A 99 3.542 5.686 -9.149 1.00 0.00 O ATOM 0 H TYR A 99 8.824 5.054 -11.838 1.00 0.00 H new ATOM 0 HA TYR A 99 9.699 4.023 -9.336 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.275 2.705 -11.670 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.400 2.049 -10.050 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.186 3.124 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.690 4.476 -12.208 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.087 4.292 -7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.614 5.676 -11.555 1.00 0.00 H new ATOM 0 HH TYR A 99 3.172 6.134 -9.938 1.00 0.00 H new ATOM 1241 N ASP A 100 11.415 3.038 -11.940 1.00 0.00 N ATOM 1242 CA ASP A 100 12.719 2.468 -12.310 1.00 0.00 C ATOM 1243 C ASP A 100 13.878 3.092 -11.503 1.00 0.00 C ATOM 1244 O ASP A 100 14.867 2.428 -11.190 1.00 0.00 O ATOM 1245 CB ASP A 100 12.941 2.674 -13.815 1.00 0.00 C ATOM 1246 CG ASP A 100 14.081 1.823 -14.404 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.367 0.719 -13.882 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.671 2.248 -15.427 1.00 0.00 O ATOM 0 H ASP A 100 10.957 3.523 -12.712 1.00 0.00 H new ATOM 0 HA ASP A 100 12.709 1.404 -12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.017 2.440 -14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.155 3.727 -13.999 1.00 0.00 H new ATOM 1253 N MET A 101 13.737 4.368 -11.127 1.00 0.00 N ATOM 1254 CA MET A 101 14.626 5.054 -10.180 1.00 0.00 C ATOM 1255 C MET A 101 14.428 4.533 -8.739 1.00 0.00 C ATOM 1256 O MET A 101 15.409 4.334 -8.021 1.00 0.00 O ATOM 1257 CB MET A 101 14.452 6.585 -10.340 1.00 0.00 C ATOM 1258 CG MET A 101 14.111 7.372 -9.067 1.00 0.00 C ATOM 1259 SD MET A 101 13.576 9.077 -9.368 1.00 0.00 S ATOM 1260 CE MET A 101 12.138 9.135 -8.265 1.00 0.00 C ATOM 0 H MET A 101 12.988 4.965 -11.478 1.00 0.00 H new ATOM 0 HA MET A 101 15.668 4.827 -10.407 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.374 6.992 -10.756 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.665 6.764 -11.073 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.323 6.846 -8.528 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.986 7.387 -8.417 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.575 10.050 -8.449 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.500 8.272 -8.454 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.474 9.118 -7.228 1.00 0.00 H new ATOM 1270 N LEU A 102 13.180 4.280 -8.312 1.00 0.00 N ATOM 1271 CA LEU A 102 12.852 3.878 -6.928 1.00 0.00 C ATOM 1272 C LEU A 102 13.010 2.380 -6.628 1.00 0.00 C ATOM 1273 O LEU A 102 13.383 2.042 -5.508 1.00 0.00 O ATOM 1274 CB LEU A 102 11.431 4.349 -6.568 1.00 0.00 C ATOM 1275 CG LEU A 102 11.248 5.875 -6.576 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.811 6.216 -6.207 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.176 6.578 -5.585 1.00 0.00 C ATOM 0 H LEU A 102 12.363 4.348 -8.919 1.00 0.00 H new ATOM 0 HA LEU A 102 13.594 4.371 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.725 3.907 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.175 3.970 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 102 11.492 6.221 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.681 7.298 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.133 5.765 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.589 5.829 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.008 7.654 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.970 6.220 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.213 6.362 -5.842 1.00 0.00 H new ATOM 1289 N ARG A 103 12.804 1.490 -7.607 1.00 0.00 N ATOM 1290 CA ARG A 103 12.911 0.017 -7.472 1.00 0.00 C ATOM 1291 C ARG A 103 14.296 -0.461 -7.034 1.00 0.00 C ATOM 1292 O ARG A 103 14.453 -1.508 -6.408 1.00 0.00 O ATOM 1293 CB ARG A 103 12.446 -0.668 -8.774 1.00 0.00 C ATOM 1294 CG ARG A 103 13.242 -0.397 -10.062 1.00 0.00 C ATOM 1295 CD ARG A 103 14.526 -1.208 -10.284 1.00 0.00 C ATOM 1296 NE ARG A 103 15.010 -1.015 -11.664 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.867 -1.752 -12.340 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.480 -2.785 -11.832 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.107 -1.430 -13.574 1.00 0.00 N ATOM 0 H ARG A 103 12.549 1.778 -8.552 1.00 0.00 H new ATOM 0 HA ARG A 103 12.246 -0.279 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.447 -1.744 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.412 -0.374 -8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.581 -0.575 -10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.505 0.661 -10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.291 -0.895 -9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.335 -2.265 -10.101 1.00 0.00 H new ATOM 0 HE ARG A 103 14.632 -0.207 -12.158 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.305 -3.057 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.135 -3.321 -12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.637 -0.627 -13.992 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.765 -1.980 -14.126 1.00 0.00 H new ATOM 1313 N LYS A 104 15.296 0.358 -7.366 1.00 0.00 N ATOM 1314 CA LYS A 104 16.700 0.238 -6.952 1.00 0.00 C ATOM 1315 C LYS A 104 16.892 0.527 -5.455 1.00 0.00 C ATOM 1316 O LYS A 104 17.764 -0.079 -4.833 1.00 0.00 O ATOM 1317 CB LYS A 104 17.507 1.182 -7.854 1.00 0.00 C ATOM 1318 CG LYS A 104 19.029 1.074 -7.674 1.00 0.00 C ATOM 1319 CD LYS A 104 19.778 1.835 -8.783 1.00 0.00 C ATOM 1320 CE LYS A 104 19.396 3.322 -8.888 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.993 4.141 -7.793 1.00 0.00 N ATOM 0 H LYS A 104 15.142 1.169 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 104 17.053 -0.786 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.259 0.973 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.200 2.209 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.312 1.474 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.325 0.025 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.850 1.758 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.580 1.351 -9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.726 3.712 -9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.311 3.418 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.707 5.134 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.659 3.788 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 21.030 4.072 -7.834 1.00 0.00 H new ATOM 1335 N ASN A 105 16.064 1.404 -4.867 1.00 0.00 N ATOM 1336 CA ASN A 105 16.040 1.627 -3.414 1.00 0.00 C ATOM 1337 C ASN A 105 15.183 0.584 -2.657 1.00 0.00 C ATOM 1338 O ASN A 105 15.745 -0.256 -1.953 1.00 0.00 O ATOM 1339 CB ASN A 105 15.657 3.081 -3.114 1.00 0.00 C ATOM 1340 CG ASN A 105 15.890 3.413 -1.648 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.913 3.955 -1.263 1.00 0.00 O ATOM 1342 ND2 ASN A 105 14.956 3.094 -0.781 1.00 0.00 N ATOM 0 H ASN A 105 15.395 1.976 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 105 17.046 1.470 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.244 3.752 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.609 3.245 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.088 3.300 0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.099 2.641 -1.098 1.00 0.00 H new