USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 755 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 Single : A 3 ASN : amide:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : A 4 GLN : amide:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -6.89! C(o=-6.9!,f=-10!) USER MOD Single : A 21 GLN : amide:sc= -1! X(o=-1!,f=-0.91) USER MOD Single : A 24 MET CE :methyl -163:sc= -1.09 (180deg=-2.03!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= -0.959 (180deg=-1.63!) USER MOD Single : A 31 MET CE :methyl -165:sc= -10.5! (180deg=-11.2!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -13.3! C(o=-13!,f=-23!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -166:sc= -0.662 (180deg=-1.59!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.032) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.77! C(o=-2.6!,f=-0.77!) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.78! C(o=-3.7!,f=-2.8!) USER MOD Single : A 49 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.96) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -27.7! C(o=-33!,f=-28!) USER MOD Single : A 51 MET CE :methyl 162:sc= -2.11 (180deg=-3.68) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 25:sc= -2! USER MOD Single : A 66 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.07) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.705 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -157:sc= -0.121 (180deg=-0.486) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc=7.26e-05 (180deg=-0.14) USER MOD Single : A 83 ASN : amide:sc= -4.34! C(o=-4.3!,f=-13!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 6.928 0.042 -0.255 1.00 0.00 N ATOM 38 CA ASN A 3 7.623 -0.954 -1.062 1.00 0.00 C ATOM 39 C ASN A 3 9.114 -0.971 -0.739 1.00 0.00 C ATOM 40 O ASN A 3 9.568 -0.287 0.177 1.00 0.00 O ATOM 41 CB ASN A 3 7.415 -0.669 -2.551 1.00 0.00 C ATOM 42 CG ASN A 3 6.800 -1.846 -3.284 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.360 -2.343 -4.261 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.643 -2.296 -2.814 1.00 0.00 N ATOM 0 HA ASN A 3 7.207 -1.933 -0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.771 0.203 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.373 -0.420 -3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.181 -3.085 -3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.216 -1.852 -2.001 1.00 0.00 H new ATOM 51 N GLN A 4 9.869 -1.758 -1.499 1.00 0.00 N ATOM 52 CA GLN A 4 11.309 -1.864 -1.294 1.00 0.00 C ATOM 53 C GLN A 4 12.068 -1.024 -2.315 1.00 0.00 C ATOM 54 O GLN A 4 11.479 -0.490 -3.255 1.00 0.00 O ATOM 55 CB GLN A 4 11.752 -3.325 -1.388 1.00 0.00 C ATOM 56 CG GLN A 4 10.775 -4.300 -0.750 1.00 0.00 C ATOM 57 CD GLN A 4 10.213 -3.789 0.562 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.898 -3.787 1.585 1.00 0.00 O ATOM 59 NE2 GLN A 4 8.960 -3.351 0.539 1.00 0.00 N ATOM 0 H GLN A 4 9.508 -2.331 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 4 11.537 -1.485 -0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.883 -3.589 -2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.725 -3.432 -0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.955 -4.492 -1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.277 -5.252 -0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.429 -3.371 -0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.529 -2.995 1.392 1.00 0.00 H new ATOM 68 N VAL A 5 13.378 -0.910 -2.124 1.00 0.00 N ATOM 69 CA VAL A 5 14.219 -0.134 -3.028 1.00 0.00 C ATOM 70 C VAL A 5 15.682 -0.543 -2.905 1.00 0.00 C ATOM 71 O VAL A 5 16.048 -1.321 -2.023 1.00 0.00 O ATOM 72 CB VAL A 5 14.094 1.376 -2.754 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.639 1.814 -2.827 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.697 1.723 -1.401 1.00 0.00 C ATOM 0 H VAL A 5 13.881 -1.346 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 5 13.871 -0.342 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 5 14.649 1.914 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.571 2.884 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.244 1.602 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.058 1.271 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.600 2.794 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.172 1.176 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.752 1.448 -1.391 1.00 0.00 H new ATOM 84 N ARG A 6 16.515 -0.014 -3.795 1.00 0.00 N ATOM 85 CA ARG A 6 17.940 -0.325 -3.787 1.00 0.00 C ATOM 86 C ARG A 6 18.769 0.919 -4.093 1.00 0.00 C ATOM 87 O ARG A 6 18.950 1.305 -5.248 1.00 0.00 O ATOM 88 CB ARG A 6 18.250 -1.422 -4.807 1.00 0.00 C ATOM 89 CG ARG A 6 19.067 -2.570 -4.237 1.00 0.00 C ATOM 90 CD ARG A 6 18.945 -3.820 -5.095 1.00 0.00 C ATOM 91 NE ARG A 6 19.927 -4.835 -4.725 1.00 0.00 N ATOM 92 CZ ARG A 6 21.224 -4.735 -4.993 1.00 0.00 C ATOM 93 NH1 ARG A 6 21.693 -3.670 -5.629 1.00 0.00 N ATOM 94 NH2 ARG A 6 22.056 -5.701 -4.624 1.00 0.00 N ATOM 0 H ARG A 6 16.228 0.632 -4.531 1.00 0.00 H new ATOM 0 HA ARG A 6 18.204 -0.680 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.313 -1.815 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.790 -0.984 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.114 -2.275 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.731 -2.789 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.941 -4.233 -4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 6 19.076 -3.554 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 6 19.599 -5.667 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 6 21.057 -2.925 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 6 22.690 -3.596 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.700 -6.522 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 6 23.052 -5.623 -4.830 1.00 0.00 H new ATOM 108 N PRO A 7 19.285 1.562 -3.035 1.00 0.00 N ATOM 109 CA PRO A 7 20.103 2.771 -3.165 1.00 0.00 C ATOM 110 C PRO A 7 21.469 2.483 -3.780 1.00 0.00 C ATOM 111 O PRO A 7 22.319 1.846 -3.158 1.00 0.00 O ATOM 112 CB PRO A 7 20.258 3.252 -1.720 1.00 0.00 C ATOM 113 CG PRO A 7 20.092 2.025 -0.893 1.00 0.00 C ATOM 114 CD PRO A 7 19.109 1.157 -1.630 1.00 0.00 C ATOM 0 HA PRO A 7 19.643 3.505 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.234 3.710 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.508 4.002 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.044 1.511 -0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.724 2.273 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.322 0.098 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.088 1.326 -1.288 1.00 0.00 H new ATOM 122 N LYS A 8 21.673 2.957 -5.004 1.00 0.00 N ATOM 123 CA LYS A 8 22.936 2.753 -5.704 1.00 0.00 C ATOM 124 C LYS A 8 24.050 3.577 -5.066 1.00 0.00 C ATOM 125 O LYS A 8 23.837 4.255 -4.060 1.00 0.00 O ATOM 126 CB LYS A 8 22.792 3.128 -7.180 1.00 0.00 C ATOM 127 CG LYS A 8 23.762 2.396 -8.091 1.00 0.00 C ATOM 128 CD LYS A 8 23.041 1.710 -9.239 1.00 0.00 C ATOM 129 CE LYS A 8 23.948 0.720 -9.955 1.00 0.00 C ATOM 130 NZ LYS A 8 23.306 -0.615 -10.100 1.00 0.00 N ATOM 0 H LYS A 8 20.979 3.486 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 8 23.198 1.698 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.773 2.915 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.943 4.202 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.492 3.101 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.316 1.656 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.162 1.190 -8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.687 2.459 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.204 1.109 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.881 0.616 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.955 -1.261 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.085 -0.998 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.429 -0.520 -10.650 1.00 0.00 H new ATOM 144 N LEU A 9 25.238 3.515 -5.658 1.00 0.00 N ATOM 145 CA LEU A 9 26.386 4.257 -5.148 1.00 0.00 C ATOM 146 C LEU A 9 25.993 5.685 -4.784 1.00 0.00 C ATOM 147 O LEU A 9 26.131 6.120 -3.640 1.00 0.00 O ATOM 148 CB LEU A 9 27.509 4.274 -6.187 1.00 0.00 C ATOM 149 CG LEU A 9 27.199 3.595 -7.521 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.169 4.063 -8.596 1.00 0.00 C ATOM 151 CD2 LEU A 9 27.252 2.082 -7.375 1.00 0.00 C ATOM 0 H LEU A 9 25.431 2.959 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 9 26.740 3.756 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.779 5.312 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.386 3.794 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 9 26.190 3.875 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 9 27.933 3.569 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.082 5.142 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.188 3.813 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 9 27.029 1.616 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.248 1.783 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.517 1.762 -6.636 1.00 0.00 H new ATOM 163 N PRO A 10 25.490 6.433 -5.777 1.00 0.00 N ATOM 164 CA PRO A 10 25.064 7.822 -5.585 1.00 0.00 C ATOM 165 C PRO A 10 23.803 7.929 -4.733 1.00 0.00 C ATOM 166 O PRO A 10 23.334 9.029 -4.436 1.00 0.00 O ATOM 167 CB PRO A 10 24.790 8.310 -7.010 1.00 0.00 C ATOM 168 CG PRO A 10 24.469 7.074 -7.778 1.00 0.00 C ATOM 169 CD PRO A 10 25.297 5.979 -7.165 1.00 0.00 C ATOM 0 HA PRO A 10 25.815 8.409 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.961 9.017 -7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.658 8.821 -7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.406 6.841 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.707 7.198 -8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.785 5.018 -7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.248 5.856 -7.683 1.00 0.00 H new ATOM 177 N LEU A 11 23.259 6.782 -4.344 1.00 0.00 N ATOM 178 CA LEU A 11 22.052 6.747 -3.525 1.00 0.00 C ATOM 179 C LEU A 11 22.357 6.220 -2.127 1.00 0.00 C ATOM 180 O LEU A 11 21.568 6.400 -1.198 1.00 0.00 O ATOM 181 CB LEU A 11 20.986 5.873 -4.190 1.00 0.00 C ATOM 182 CG LEU A 11 19.859 6.618 -4.906 1.00 0.00 C ATOM 183 CD1 LEU A 11 20.423 7.547 -5.969 1.00 0.00 C ATOM 184 CD2 LEU A 11 18.876 5.633 -5.522 1.00 0.00 C ATOM 0 H LEU A 11 23.634 5.864 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 11 21.675 7.766 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.478 5.220 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.544 5.231 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 11 19.326 7.222 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.606 8.068 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 11 21.086 8.275 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.982 6.965 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.081 6.181 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.396 5.002 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.446 5.010 -4.738 1.00 0.00 H new ATOM 196 N LEU A 12 23.507 5.571 -1.983 1.00 0.00 N ATOM 197 CA LEU A 12 23.919 5.020 -0.697 1.00 0.00 C ATOM 198 C LEU A 12 24.445 6.117 0.223 1.00 0.00 C ATOM 199 O LEU A 12 24.040 6.220 1.381 1.00 0.00 O ATOM 200 CB LEU A 12 24.993 3.949 -0.898 1.00 0.00 C ATOM 201 CG LEU A 12 25.277 3.048 0.304 1.00 0.00 C ATOM 202 CD1 LEU A 12 24.021 2.864 1.141 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.818 1.702 -0.154 1.00 0.00 C ATOM 0 H LEU A 12 24.171 5.413 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 12 23.046 4.566 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.697 3.319 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.922 4.443 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 12 26.034 3.529 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.242 2.220 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.677 3.834 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.242 2.406 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 12 26.014 1.074 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 12 25.084 1.214 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.744 1.852 -0.710 1.00 0.00 H new ATOM 215 N LYS A 13 25.349 6.938 -0.301 1.00 0.00 N ATOM 216 CA LYS A 13 25.929 8.031 0.470 1.00 0.00 C ATOM 217 C LYS A 13 24.840 8.946 1.021 1.00 0.00 C ATOM 218 O LYS A 13 24.986 9.519 2.101 1.00 0.00 O ATOM 219 CB LYS A 13 26.897 8.838 -0.398 1.00 0.00 C ATOM 220 CG LYS A 13 26.424 9.018 -1.830 1.00 0.00 C ATOM 221 CD LYS A 13 26.400 10.484 -2.229 1.00 0.00 C ATOM 222 CE LYS A 13 26.932 10.687 -3.640 1.00 0.00 C ATOM 223 NZ LYS A 13 27.504 12.049 -3.826 1.00 0.00 N ATOM 0 H LYS A 13 25.696 6.867 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 13 26.476 7.600 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.045 9.819 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.867 8.341 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 13 27.081 8.467 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.426 8.593 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.380 10.863 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.999 11.063 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.697 9.940 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.127 10.530 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.856 12.148 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.768 12.762 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.289 12.190 -3.159 1.00 0.00 H new ATOM 237 N ILE A 14 23.750 9.077 0.273 1.00 0.00 N ATOM 238 CA ILE A 14 22.636 9.920 0.689 1.00 0.00 C ATOM 239 C ILE A 14 22.079 9.470 2.035 1.00 0.00 C ATOM 240 O ILE A 14 21.991 10.259 2.977 1.00 0.00 O ATOM 241 CB ILE A 14 21.502 9.908 -0.353 1.00 0.00 C ATOM 242 CG1 ILE A 14 22.060 10.183 -1.751 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.439 10.934 0.010 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.019 10.674 -2.732 1.00 0.00 C ATOM 0 H ILE A 14 23.614 8.610 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 14 23.024 10.934 0.780 1.00 0.00 H new ATOM 0 HB ILE A 14 21.041 8.920 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.855 10.925 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.511 9.270 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.644 10.914 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 14 20.024 10.697 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.886 11.928 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.486 10.848 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.235 9.924 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.585 11.604 -2.366 1.00 0.00 H new ATOM 256 N LEU A 15 21.705 8.199 2.120 1.00 0.00 N ATOM 257 CA LEU A 15 21.158 7.642 3.353 1.00 0.00 C ATOM 258 C LEU A 15 22.242 7.507 4.417 1.00 0.00 C ATOM 259 O LEU A 15 22.004 7.768 5.597 1.00 0.00 O ATOM 260 CB LEU A 15 20.521 6.278 3.081 1.00 0.00 C ATOM 261 CG LEU A 15 19.635 6.187 1.838 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.832 4.895 1.848 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.710 7.392 1.752 1.00 0.00 C ATOM 0 H LEU A 15 21.770 7.534 1.350 1.00 0.00 H new ATOM 0 HA LEU A 15 20.394 8.325 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.317 5.539 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.924 5.998 3.949 1.00 0.00 H new ATOM 0 HG LEU A 15 20.277 6.184 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.207 4.848 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.513 4.044 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.200 4.866 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.087 7.310 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.075 7.427 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.305 8.304 1.696 1.00 0.00 H new ATOM 275 N HIS A 16 23.434 7.100 3.992 1.00 0.00 N ATOM 276 CA HIS A 16 24.556 6.933 4.909 1.00 0.00 C ATOM 277 C HIS A 16 24.880 8.245 5.617 1.00 0.00 C ATOM 278 O HIS A 16 25.007 8.287 6.840 1.00 0.00 O ATOM 279 CB HIS A 16 25.787 6.430 4.155 1.00 0.00 C ATOM 280 CG HIS A 16 25.842 4.939 4.024 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.998 4.209 4.203 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.873 4.040 3.732 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.739 2.926 4.025 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.456 2.796 3.738 1.00 0.00 N ATOM 0 H HIS A 16 23.648 6.880 3.019 1.00 0.00 H new ATOM 0 HA HIS A 16 24.272 6.196 5.660 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.800 6.875 3.160 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.684 6.775 4.670 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.911 4.599 4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.835 4.260 3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.454 2.120 4.101 1.00 0.00 H new ATOM 292 N ALA A 17 25.012 9.315 4.839 1.00 0.00 N ATOM 293 CA ALA A 17 25.319 10.628 5.391 1.00 0.00 C ATOM 294 C ALA A 17 24.204 11.110 6.313 1.00 0.00 C ATOM 295 O ALA A 17 24.446 11.869 7.251 1.00 0.00 O ATOM 296 CB ALA A 17 25.550 11.631 4.271 1.00 0.00 C ATOM 0 H ALA A 17 24.911 9.297 3.824 1.00 0.00 H new ATOM 0 HA ALA A 17 26.232 10.542 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.778 12.607 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 17 26.385 11.301 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.652 11.704 3.657 1.00 0.00 H new ATOM 302 N ALA A 18 22.982 10.666 6.039 1.00 0.00 N ATOM 303 CA ALA A 18 21.830 11.051 6.845 1.00 0.00 C ATOM 304 C ALA A 18 21.710 10.174 8.086 1.00 0.00 C ATOM 305 O ALA A 18 20.833 10.382 8.923 1.00 0.00 O ATOM 306 CB ALA A 18 20.556 10.973 6.016 1.00 0.00 C ATOM 0 H ALA A 18 22.764 10.039 5.265 1.00 0.00 H new ATOM 0 HA ALA A 18 21.975 12.080 7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.704 11.263 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.635 11.647 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 18 20.416 9.952 5.660 1.00 0.00 H new ATOM 312 N GLY A 19 22.599 9.191 8.199 1.00 0.00 N ATOM 313 CA GLY A 19 22.574 8.296 9.341 1.00 0.00 C ATOM 314 C GLY A 19 22.030 6.925 8.992 1.00 0.00 C ATOM 315 O GLY A 19 21.444 6.249 9.837 1.00 0.00 O ATOM 0 H GLY A 19 23.336 8.999 7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.583 8.192 9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.964 8.736 10.130 1.00 0.00 H new ATOM 319 N ALA A 20 22.223 6.514 7.743 1.00 0.00 N ATOM 320 CA ALA A 20 21.747 5.215 7.284 1.00 0.00 C ATOM 321 C ALA A 20 22.910 4.260 7.039 1.00 0.00 C ATOM 322 O ALA A 20 24.073 4.635 7.182 1.00 0.00 O ATOM 323 CB ALA A 20 20.916 5.374 6.020 1.00 0.00 C ATOM 0 H ALA A 20 22.706 7.062 7.031 1.00 0.00 H new ATOM 0 HA ALA A 20 21.119 4.788 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.567 4.396 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.058 6.014 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.526 5.826 5.238 1.00 0.00 H new ATOM 329 N GLN A 21 22.587 3.024 6.670 1.00 0.00 N ATOM 330 CA GLN A 21 23.607 2.015 6.407 1.00 0.00 C ATOM 331 C GLN A 21 22.980 0.742 5.849 1.00 0.00 C ATOM 332 O GLN A 21 22.157 0.104 6.504 1.00 0.00 O ATOM 333 CB GLN A 21 24.383 1.698 7.686 1.00 0.00 C ATOM 334 CG GLN A 21 25.890 1.668 7.492 1.00 0.00 C ATOM 335 CD GLN A 21 26.590 2.822 8.183 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.249 2.640 9.207 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.451 4.019 7.624 1.00 0.00 N ATOM 0 H GLN A 21 21.629 2.698 6.547 1.00 0.00 H new ATOM 0 HA GLN A 21 24.296 2.415 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.137 2.442 8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.055 0.732 8.070 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.283 0.727 7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.116 1.697 6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.895 4.124 6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.900 4.833 8.044 1.00 0.00 H new ATOM 346 N GLY A 22 23.376 0.377 4.633 1.00 0.00 N ATOM 347 CA GLY A 22 22.843 -0.819 4.007 1.00 0.00 C ATOM 348 C GLY A 22 22.585 -0.632 2.525 1.00 0.00 C ATOM 349 O GLY A 22 22.811 0.449 1.982 1.00 0.00 O ATOM 0 H GLY A 22 24.056 0.888 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 22 23.543 -1.643 4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.914 -1.101 4.502 1.00 0.00 H new ATOM 353 N GLU A 23 22.111 -1.687 1.870 1.00 0.00 N ATOM 354 CA GLU A 23 21.825 -1.634 0.442 1.00 0.00 C ATOM 355 C GLU A 23 20.354 -1.938 0.170 1.00 0.00 C ATOM 356 O GLU A 23 19.938 -2.064 -0.981 1.00 0.00 O ATOM 357 CB GLU A 23 22.710 -2.626 -0.316 1.00 0.00 C ATOM 358 CG GLU A 23 24.183 -2.524 0.043 1.00 0.00 C ATOM 359 CD GLU A 23 25.083 -3.157 -1.000 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.133 -4.404 -1.062 1.00 0.00 O ATOM 361 OE2 GLU A 23 25.736 -2.407 -1.755 1.00 0.00 O ATOM 0 H GLU A 23 21.917 -2.589 2.306 1.00 0.00 H new ATOM 0 HA GLU A 23 22.041 -0.625 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.364 -3.639 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.593 -2.460 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.452 -1.474 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.353 -3.007 1.005 1.00 0.00 H new ATOM 368 N MET A 24 19.573 -2.054 1.239 1.00 0.00 N ATOM 369 CA MET A 24 18.149 -2.342 1.116 1.00 0.00 C ATOM 370 C MET A 24 17.337 -1.499 2.094 1.00 0.00 C ATOM 371 O MET A 24 17.662 -1.421 3.280 1.00 0.00 O ATOM 372 CB MET A 24 17.884 -3.828 1.364 1.00 0.00 C ATOM 373 CG MET A 24 18.515 -4.353 2.643 1.00 0.00 C ATOM 374 SD MET A 24 20.302 -4.552 2.506 1.00 0.00 S ATOM 375 CE MET A 24 20.429 -5.379 0.922 1.00 0.00 C ATOM 0 H MET A 24 19.902 -1.953 2.199 1.00 0.00 H new ATOM 0 HA MET A 24 17.839 -2.089 0.102 1.00 0.00 H new ATOM 0 HB2 MET A 24 16.808 -3.995 1.405 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.264 -4.402 0.519 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.291 -3.668 3.461 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.065 -5.312 2.898 1.00 0.00 H new ATOM 0 HE1 MET A 24 21.414 -5.837 0.829 1.00 0.00 H new ATOM 0 HE2 MET A 24 19.662 -6.150 0.852 1.00 0.00 H new ATOM 0 HE3 MET A 24 20.289 -4.654 0.121 1.00 0.00 H new ATOM 385 N PHE A 25 16.281 -0.869 1.591 1.00 0.00 N ATOM 386 CA PHE A 25 15.424 -0.031 2.421 1.00 0.00 C ATOM 387 C PHE A 25 14.043 0.128 1.791 1.00 0.00 C ATOM 388 O PHE A 25 13.908 0.182 0.568 1.00 0.00 O ATOM 389 CB PHE A 25 16.064 1.344 2.627 1.00 0.00 C ATOM 390 CG PHE A 25 17.482 1.277 3.116 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.516 0.976 2.244 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.782 1.517 4.447 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.822 0.913 2.692 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.086 1.456 4.901 1.00 0.00 C ATOM 395 CZ PHE A 25 20.108 1.155 4.022 1.00 0.00 C ATOM 0 H PHE A 25 15.998 -0.923 0.612 1.00 0.00 H new ATOM 0 HA PHE A 25 15.309 -0.519 3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.038 1.893 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.468 1.910 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.299 0.789 1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.987 1.755 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.619 0.675 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.306 1.643 5.942 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.128 1.109 4.373 1.00 0.00 H new ATOM 405 N THR A 26 13.018 0.201 2.635 1.00 0.00 N ATOM 406 CA THR A 26 11.648 0.352 2.162 1.00 0.00 C ATOM 407 C THR A 26 11.326 1.812 1.864 1.00 0.00 C ATOM 408 O THR A 26 12.157 2.696 2.072 1.00 0.00 O ATOM 409 CB THR A 26 10.636 -0.186 3.192 1.00 0.00 C ATOM 410 OG1 THR A 26 11.236 -0.228 4.491 1.00 0.00 O ATOM 411 CG2 THR A 26 10.156 -1.576 2.804 1.00 0.00 C ATOM 0 H THR A 26 13.111 0.158 3.650 1.00 0.00 H new ATOM 0 HA THR A 26 11.565 -0.229 1.244 1.00 0.00 H new ATOM 0 HB THR A 26 9.777 0.485 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.586 -0.569 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.443 -1.935 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.674 -1.535 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.007 -2.256 2.760 1.00 0.00 H new ATOM 419 N VAL A 27 10.114 2.058 1.377 1.00 0.00 N ATOM 420 CA VAL A 27 9.682 3.412 1.053 1.00 0.00 C ATOM 421 C VAL A 27 9.761 4.322 2.274 1.00 0.00 C ATOM 422 O VAL A 27 10.143 5.488 2.170 1.00 0.00 O ATOM 423 CB VAL A 27 8.241 3.426 0.508 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.825 4.840 0.133 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.113 2.490 -0.684 1.00 0.00 C ATOM 0 H VAL A 27 9.414 1.338 1.198 1.00 0.00 H new ATOM 0 HA VAL A 27 10.358 3.784 0.283 1.00 0.00 H new ATOM 0 HB VAL A 27 7.572 3.072 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.805 4.830 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.876 5.480 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.496 5.225 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.089 2.513 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.793 2.811 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.366 1.475 -0.378 1.00 0.00 H new ATOM 435 N LYS A 28 9.397 3.781 3.432 1.00 0.00 N ATOM 436 CA LYS A 28 9.427 4.542 4.675 1.00 0.00 C ATOM 437 C LYS A 28 10.864 4.806 5.116 1.00 0.00 C ATOM 438 O LYS A 28 11.209 5.924 5.498 1.00 0.00 O ATOM 439 CB LYS A 28 8.675 3.791 5.776 1.00 0.00 C ATOM 440 CG LYS A 28 7.172 4.007 5.741 1.00 0.00 C ATOM 441 CD LYS A 28 6.469 2.909 4.960 1.00 0.00 C ATOM 442 CE LYS A 28 6.832 1.530 5.487 1.00 0.00 C ATOM 443 NZ LYS A 28 7.059 1.540 6.958 1.00 0.00 N ATOM 0 H LYS A 28 9.078 2.818 3.535 1.00 0.00 H new ATOM 0 HA LYS A 28 8.937 5.499 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.883 2.725 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.057 4.108 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.784 4.036 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.953 4.974 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.390 3.051 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.740 2.980 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.033 0.828 5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.731 1.174 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.885 0.590 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.041 1.819 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.410 2.219 7.405 1.00 0.00 H new ATOM 457 N GLU A 29 11.695 3.771 5.059 1.00 0.00 N ATOM 458 CA GLU A 29 13.094 3.893 5.452 1.00 0.00 C ATOM 459 C GLU A 29 13.822 4.902 4.569 1.00 0.00 C ATOM 460 O GLU A 29 14.654 5.675 5.045 1.00 0.00 O ATOM 461 CB GLU A 29 13.790 2.533 5.372 1.00 0.00 C ATOM 462 CG GLU A 29 13.666 1.709 6.643 1.00 0.00 C ATOM 463 CD GLU A 29 14.403 2.330 7.814 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.887 3.472 7.672 1.00 0.00 O ATOM 465 OE2 GLU A 29 14.496 1.673 8.872 1.00 0.00 O ATOM 0 H GLU A 29 11.424 2.839 4.745 1.00 0.00 H new ATOM 0 HA GLU A 29 13.125 4.249 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.370 1.968 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.846 2.687 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.612 1.599 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.057 0.708 6.462 1.00 0.00 H new ATOM 472 N VAL A 30 13.502 4.889 3.279 1.00 0.00 N ATOM 473 CA VAL A 30 14.124 5.802 2.327 1.00 0.00 C ATOM 474 C VAL A 30 13.680 7.240 2.575 1.00 0.00 C ATOM 475 O VAL A 30 14.504 8.151 2.642 1.00 0.00 O ATOM 476 CB VAL A 30 13.786 5.416 0.875 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.645 6.205 -0.101 1.00 0.00 C ATOM 478 CG2 VAL A 30 13.966 3.920 0.667 1.00 0.00 C ATOM 0 H VAL A 30 12.815 4.256 2.869 1.00 0.00 H new ATOM 0 HA VAL A 30 15.201 5.726 2.474 1.00 0.00 H new ATOM 0 HB VAL A 30 12.742 5.664 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.392 5.919 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.462 7.271 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.697 5.991 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.723 3.664 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.000 3.646 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.304 3.377 1.341 1.00 0.00 H new ATOM 488 N MET A 31 12.373 7.434 2.712 1.00 0.00 N ATOM 489 CA MET A 31 11.819 8.762 2.954 1.00 0.00 C ATOM 490 C MET A 31 12.278 9.303 4.305 1.00 0.00 C ATOM 491 O MET A 31 12.663 10.467 4.419 1.00 0.00 O ATOM 492 CB MET A 31 10.291 8.718 2.902 1.00 0.00 C ATOM 493 CG MET A 31 9.622 9.413 4.077 1.00 0.00 C ATOM 494 SD MET A 31 7.902 9.839 3.744 1.00 0.00 S ATOM 495 CE MET A 31 8.098 11.031 2.421 1.00 0.00 C ATOM 0 H MET A 31 11.678 6.690 2.660 1.00 0.00 H new ATOM 0 HA MET A 31 12.182 9.429 2.172 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.954 9.183 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.967 7.678 2.873 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.669 8.765 4.952 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.176 10.319 4.321 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.167 11.581 2.286 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.897 11.728 2.674 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.349 10.511 1.497 1.00 0.00 H new ATOM 505 N HIS A 32 12.234 8.452 5.325 1.00 0.00 N ATOM 506 CA HIS A 32 12.646 8.846 6.667 1.00 0.00 C ATOM 507 C HIS A 32 14.024 9.500 6.643 1.00 0.00 C ATOM 508 O HIS A 32 14.290 10.440 7.392 1.00 0.00 O ATOM 509 CB HIS A 32 12.660 7.632 7.596 1.00 0.00 C ATOM 510 CG HIS A 32 12.527 7.985 9.046 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.513 7.504 9.847 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.288 8.775 9.838 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.655 7.985 11.069 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.725 8.759 11.091 1.00 0.00 N ATOM 0 H HIS A 32 11.917 7.486 5.248 1.00 0.00 H new ATOM 0 HA HIS A 32 11.926 9.573 7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.846 6.962 7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.590 7.082 7.448 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.173 9.317 9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.006 7.780 11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.076 9.263 11.906 1.00 0.00 H new ATOM 522 N TYR A 33 14.898 8.995 5.779 1.00 0.00 N ATOM 523 CA TYR A 33 16.250 9.527 5.659 1.00 0.00 C ATOM 524 C TYR A 33 16.246 10.863 4.922 1.00 0.00 C ATOM 525 O TYR A 33 17.029 11.761 5.236 1.00 0.00 O ATOM 526 CB TYR A 33 17.150 8.530 4.928 1.00 0.00 C ATOM 527 CG TYR A 33 17.420 7.268 5.714 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.893 7.326 7.019 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.201 6.016 5.153 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.142 6.175 7.741 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.445 4.859 5.868 1.00 0.00 C ATOM 532 CZ TYR A 33 17.916 4.944 7.161 1.00 0.00 C ATOM 533 OH TYR A 33 18.162 3.795 7.878 1.00 0.00 O ATOM 0 H TYR A 33 14.694 8.217 5.151 1.00 0.00 H new ATOM 0 HA TYR A 33 16.640 9.689 6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.686 8.264 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.099 9.013 4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.069 8.288 7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.833 5.946 4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.512 6.239 8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.268 3.894 5.417 1.00 0.00 H new ATOM 0 HH TYR A 33 17.951 3.013 7.326 1.00 0.00 H new ATOM 543 N LEU A 34 15.360 10.987 3.940 1.00 0.00 N ATOM 544 CA LEU A 34 15.252 12.212 3.157 1.00 0.00 C ATOM 545 C LEU A 34 15.138 13.432 4.066 1.00 0.00 C ATOM 546 O LEU A 34 15.937 14.362 3.977 1.00 0.00 O ATOM 547 CB LEU A 34 14.041 12.141 2.225 1.00 0.00 C ATOM 548 CG LEU A 34 14.347 12.116 0.727 1.00 0.00 C ATOM 549 CD1 LEU A 34 15.180 13.325 0.332 1.00 0.00 C ATOM 550 CD2 LEU A 34 15.062 10.827 0.351 1.00 0.00 C ATOM 0 H LEU A 34 14.706 10.253 3.667 1.00 0.00 H new ATOM 0 HA LEU A 34 16.158 12.311 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.469 11.247 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.399 12.998 2.430 1.00 0.00 H new ATOM 0 HG LEU A 34 13.404 12.157 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.388 13.290 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.631 14.237 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.119 13.316 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.272 10.826 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.998 10.755 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.429 9.975 0.597 1.00 0.00 H new ATOM 562 N GLY A 35 14.138 13.418 4.943 1.00 0.00 N ATOM 563 CA GLY A 35 13.938 14.527 5.858 1.00 0.00 C ATOM 564 C GLY A 35 15.193 14.869 6.637 1.00 0.00 C ATOM 565 O GLY A 35 15.587 16.032 6.710 1.00 0.00 O ATOM 0 H GLY A 35 13.463 12.659 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.612 15.403 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.137 14.279 6.555 1.00 0.00 H new ATOM 569 N GLN A 36 15.821 13.853 7.220 1.00 0.00 N ATOM 570 CA GLN A 36 17.036 14.053 8.000 1.00 0.00 C ATOM 571 C GLN A 36 18.145 14.647 7.137 1.00 0.00 C ATOM 572 O GLN A 36 18.921 15.485 7.595 1.00 0.00 O ATOM 573 CB GLN A 36 17.501 12.729 8.608 1.00 0.00 C ATOM 574 CG GLN A 36 18.748 12.161 7.950 1.00 0.00 C ATOM 575 CD GLN A 36 20.000 12.942 8.300 1.00 0.00 C ATOM 576 OE1 GLN A 36 20.530 13.689 7.477 1.00 0.00 O ATOM 577 NE2 GLN A 36 20.480 12.772 9.526 1.00 0.00 N ATOM 0 H GLN A 36 15.508 12.884 7.167 1.00 0.00 H new ATOM 0 HA GLN A 36 16.810 14.754 8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.696 12.875 9.670 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.695 12.000 8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.875 11.123 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.615 12.161 6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.008 12.143 10.176 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.320 13.271 9.818 1.00 0.00 H new ATOM 586 N TYR A 37 18.213 14.206 5.885 1.00 0.00 N ATOM 587 CA TYR A 37 19.229 14.692 4.958 1.00 0.00 C ATOM 588 C TYR A 37 19.055 16.184 4.693 1.00 0.00 C ATOM 589 O TYR A 37 20.025 16.943 4.695 1.00 0.00 O ATOM 590 CB TYR A 37 19.159 13.917 3.641 1.00 0.00 C ATOM 591 CG TYR A 37 20.263 14.273 2.671 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.568 13.848 2.885 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.999 15.034 1.538 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.579 14.172 2.001 1.00 0.00 C ATOM 595 CE2 TYR A 37 21.004 15.361 0.648 1.00 0.00 C ATOM 596 CZ TYR A 37 22.292 14.928 0.884 1.00 0.00 C ATOM 597 OH TYR A 37 23.296 15.252 0.000 1.00 0.00 O ATOM 0 H TYR A 37 17.577 13.514 5.489 1.00 0.00 H new ATOM 0 HA TYR A 37 20.207 14.534 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.204 12.849 3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.196 14.107 3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.796 13.254 3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.992 15.375 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.589 13.835 2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.782 15.953 -0.228 1.00 0.00 H new ATOM 0 HH TYR A 37 22.926 15.787 -0.733 1.00 0.00 H new ATOM 607 N ILE A 38 17.813 16.597 4.466 1.00 0.00 N ATOM 608 CA ILE A 38 17.511 17.998 4.201 1.00 0.00 C ATOM 609 C ILE A 38 17.903 18.878 5.383 1.00 0.00 C ATOM 610 O ILE A 38 18.508 19.935 5.209 1.00 0.00 O ATOM 611 CB ILE A 38 16.015 18.204 3.896 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.584 17.314 2.728 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.734 19.667 3.586 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.108 17.410 2.409 1.00 0.00 C ATOM 0 H ILE A 38 17.000 15.982 4.460 1.00 0.00 H new ATOM 0 HA ILE A 38 18.095 18.286 3.327 1.00 0.00 H new ATOM 0 HB ILE A 38 15.437 17.922 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.158 17.587 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.831 16.278 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.673 19.796 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.009 20.280 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.319 19.974 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.873 16.753 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.527 17.108 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.859 18.438 2.145 1.00 0.00 H new ATOM 626 N MET A 39 17.554 18.434 6.586 1.00 0.00 N ATOM 627 CA MET A 39 17.872 19.180 7.798 1.00 0.00 C ATOM 628 C MET A 39 19.372 19.156 8.073 1.00 0.00 C ATOM 629 O MET A 39 19.922 20.094 8.651 1.00 0.00 O ATOM 630 CB MET A 39 17.113 18.600 8.993 1.00 0.00 C ATOM 631 CG MET A 39 18.019 17.982 10.046 1.00 0.00 C ATOM 632 SD MET A 39 17.114 17.435 11.506 1.00 0.00 S ATOM 633 CE MET A 39 15.975 18.799 11.729 1.00 0.00 C ATOM 0 H MET A 39 17.051 17.561 6.748 1.00 0.00 H new ATOM 0 HA MET A 39 17.564 20.215 7.649 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.520 19.390 9.454 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.414 17.843 8.637 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.548 17.133 9.612 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.774 18.710 10.343 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.522 18.737 12.718 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.514 19.742 11.636 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.195 18.750 10.969 1.00 0.00 H new ATOM 643 N VAL A 40 20.029 18.078 7.655 1.00 0.00 N ATOM 644 CA VAL A 40 21.466 17.933 7.856 1.00 0.00 C ATOM 645 C VAL A 40 22.245 18.879 6.949 1.00 0.00 C ATOM 646 O VAL A 40 23.254 19.456 7.356 1.00 0.00 O ATOM 647 CB VAL A 40 21.926 16.488 7.590 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.713 16.409 6.291 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.754 15.969 8.757 1.00 0.00 C ATOM 0 H VAL A 40 19.589 17.293 7.175 1.00 0.00 H new ATOM 0 HA VAL A 40 21.668 18.184 8.897 1.00 0.00 H new ATOM 0 HB VAL A 40 21.043 15.856 7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.030 15.380 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.084 16.738 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.590 17.053 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.071 14.946 8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.632 16.601 8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.153 15.987 9.666 1.00 0.00 H new ATOM 659 N LYS A 41 21.771 19.034 5.718 1.00 0.00 N ATOM 660 CA LYS A 41 22.422 19.911 4.752 1.00 0.00 C ATOM 661 C LYS A 41 21.900 21.339 4.875 1.00 0.00 C ATOM 662 O LYS A 41 22.518 22.280 4.379 1.00 0.00 O ATOM 663 CB LYS A 41 22.195 19.395 3.329 1.00 0.00 C ATOM 664 CG LYS A 41 23.316 18.506 2.819 1.00 0.00 C ATOM 665 CD LYS A 41 24.660 19.211 2.882 1.00 0.00 C ATOM 666 CE LYS A 41 25.446 18.802 4.119 1.00 0.00 C ATOM 667 NZ LYS A 41 26.789 18.261 3.769 1.00 0.00 N ATOM 0 H LYS A 41 20.938 18.563 5.365 1.00 0.00 H new ATOM 0 HA LYS A 41 23.491 19.914 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.258 18.838 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.082 20.245 2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.355 17.592 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.107 18.210 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.238 18.976 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.506 20.290 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.562 19.663 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.885 18.050 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.293 17.994 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.679 17.424 3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.334 18.987 3.262 1.00 0.00 H new ATOM 681 N GLN A 42 20.759 21.491 5.541 1.00 0.00 N ATOM 682 CA GLN A 42 20.155 22.805 5.729 1.00 0.00 C ATOM 683 C GLN A 42 19.558 23.322 4.424 1.00 0.00 C ATOM 684 O GLN A 42 19.946 24.380 3.928 1.00 0.00 O ATOM 685 CB GLN A 42 21.194 23.797 6.256 1.00 0.00 C ATOM 686 CG GLN A 42 20.882 24.322 7.648 1.00 0.00 C ATOM 687 CD GLN A 42 21.753 23.692 8.718 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.175 24.359 9.663 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.025 22.401 8.575 1.00 0.00 N ATOM 0 H GLN A 42 20.235 20.722 5.959 1.00 0.00 H new ATOM 0 HA GLN A 42 19.353 22.706 6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.171 23.314 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.263 24.638 5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.019 25.403 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.834 24.130 7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.654 21.887 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.605 21.923 9.264 1.00 0.00 H new ATOM 698 N LEU A 43 18.612 22.569 3.873 1.00 0.00 N ATOM 699 CA LEU A 43 17.961 22.950 2.625 1.00 0.00 C ATOM 700 C LEU A 43 16.443 22.925 2.773 1.00 0.00 C ATOM 701 O LEU A 43 15.754 22.168 2.089 1.00 0.00 O ATOM 702 CB LEU A 43 18.390 22.012 1.496 1.00 0.00 C ATOM 703 CG LEU A 43 19.895 21.799 1.336 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.172 20.610 0.429 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.557 23.055 0.789 1.00 0.00 C ATOM 0 H LEU A 43 18.279 21.691 4.271 1.00 0.00 H new ATOM 0 HA LEU A 43 18.267 23.967 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.921 21.042 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.997 22.402 0.557 1.00 0.00 H new ATOM 0 HG LEU A 43 20.319 21.588 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.249 20.473 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.732 19.712 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.734 20.791 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.628 22.884 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.129 23.298 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.389 23.884 1.476 1.00 0.00 H new ATOM 717 N TYR A 44 15.927 23.759 3.670 1.00 0.00 N ATOM 718 CA TYR A 44 14.491 23.832 3.908 1.00 0.00 C ATOM 719 C TYR A 44 14.108 25.176 4.522 1.00 0.00 C ATOM 720 O TYR A 44 14.953 26.055 4.696 1.00 0.00 O ATOM 721 CB TYR A 44 14.046 22.694 4.828 1.00 0.00 C ATOM 722 CG TYR A 44 14.746 22.690 6.169 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.102 22.403 6.266 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.052 22.974 7.338 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.746 22.397 7.488 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.687 22.973 8.565 1.00 0.00 C ATOM 727 CZ TYR A 44 16.034 22.683 8.635 1.00 0.00 C ATOM 728 OH TYR A 44 16.671 22.680 9.854 1.00 0.00 O ATOM 0 H TYR A 44 16.482 24.394 4.244 1.00 0.00 H new ATOM 0 HA TYR A 44 13.984 23.733 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.971 22.768 4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.229 21.742 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.662 22.181 5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.997 23.200 7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.800 22.170 7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.132 23.198 9.464 1.00 0.00 H new ATOM 0 HH TYR A 44 16.028 22.902 10.560 1.00 0.00 H new ATOM 738 N ASP A 45 12.830 25.327 4.849 1.00 0.00 N ATOM 739 CA ASP A 45 12.334 26.562 5.445 1.00 0.00 C ATOM 740 C ASP A 45 12.071 26.378 6.936 1.00 0.00 C ATOM 741 O ASP A 45 11.107 25.721 7.329 1.00 0.00 O ATOM 742 CB ASP A 45 11.053 27.015 4.741 1.00 0.00 C ATOM 743 CG ASP A 45 10.287 28.049 5.542 1.00 0.00 C ATOM 744 OD1 ASP A 45 10.852 28.577 6.522 1.00 0.00 O ATOM 745 OD2 ASP A 45 9.122 28.328 5.189 1.00 0.00 O ATOM 0 H ASP A 45 12.118 24.610 4.712 1.00 0.00 H new ATOM 0 HA ASP A 45 13.098 27.329 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.305 27.430 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.414 26.150 4.564 1.00 0.00 H new ATOM 750 N GLN A 46 12.935 26.961 7.761 1.00 0.00 N ATOM 751 CA GLN A 46 12.796 26.860 9.209 1.00 0.00 C ATOM 752 C GLN A 46 11.426 27.352 9.660 1.00 0.00 C ATOM 753 O GLN A 46 10.825 26.790 10.575 1.00 0.00 O ATOM 754 CB GLN A 46 13.895 27.664 9.905 1.00 0.00 C ATOM 755 CG GLN A 46 15.289 27.386 9.364 1.00 0.00 C ATOM 756 CD GLN A 46 15.672 28.317 8.231 1.00 0.00 C ATOM 757 OE1 GLN A 46 15.638 27.806 7.006 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 15.996 29.484 8.454 1.00 0.00 N flip ATOM 0 H GLN A 46 13.738 27.508 7.451 1.00 0.00 H new ATOM 0 HA GLN A 46 12.893 25.810 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.679 28.727 9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.877 27.440 10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.014 27.485 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.340 26.355 9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.008 29.836 9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.252 30.099 7.681 1.00 0.00 H new ATOM 767 N GLN A 47 10.938 28.406 9.013 1.00 0.00 N ATOM 768 CA GLN A 47 9.638 28.974 9.349 1.00 0.00 C ATOM 769 C GLN A 47 8.518 27.982 9.056 1.00 0.00 C ATOM 770 O GLN A 47 7.481 27.989 9.719 1.00 0.00 O ATOM 771 CB GLN A 47 9.406 30.269 8.569 1.00 0.00 C ATOM 772 CG GLN A 47 10.689 31.003 8.213 1.00 0.00 C ATOM 773 CD GLN A 47 11.719 30.951 9.325 1.00 0.00 C ATOM 774 OE1 GLN A 47 12.965 30.668 8.965 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 11.397 31.162 10.495 1.00 0.00 N flip ATOM 0 H GLN A 47 11.423 28.883 8.254 1.00 0.00 H new ATOM 0 HA GLN A 47 9.632 29.196 10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.863 30.039 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.771 30.930 9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.114 30.567 7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.457 32.044 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.427 31.376 10.726 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.100 31.123 11.233 1.00 0.00 H new ATOM 784 N GLU A 48 8.733 27.131 8.058 1.00 0.00 N ATOM 785 CA GLU A 48 7.740 26.134 7.676 1.00 0.00 C ATOM 786 C GLU A 48 8.411 24.828 7.263 1.00 0.00 C ATOM 787 O GLU A 48 8.800 24.656 6.108 1.00 0.00 O ATOM 788 CB GLU A 48 6.872 26.659 6.530 1.00 0.00 C ATOM 789 CG GLU A 48 5.434 26.937 6.934 1.00 0.00 C ATOM 790 CD GLU A 48 4.688 27.762 5.903 1.00 0.00 C ATOM 791 OE1 GLU A 48 4.178 27.171 4.928 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.614 28.997 6.071 1.00 0.00 O ATOM 0 H GLU A 48 9.586 27.112 7.499 1.00 0.00 H new ATOM 0 HA GLU A 48 7.107 25.939 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.315 27.576 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.878 25.932 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.913 25.991 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.424 27.461 7.890 1.00 0.00 H new ATOM 799 N GLN A 49 8.544 23.911 8.216 1.00 0.00 N ATOM 800 CA GLN A 49 9.170 22.620 7.952 1.00 0.00 C ATOM 801 C GLN A 49 8.509 21.928 6.764 1.00 0.00 C ATOM 802 O GLN A 49 9.088 21.026 6.157 1.00 0.00 O ATOM 803 CB GLN A 49 9.086 21.726 9.190 1.00 0.00 C ATOM 804 CG GLN A 49 10.076 22.101 10.280 1.00 0.00 C ATOM 805 CD GLN A 49 9.438 22.902 11.398 1.00 0.00 C ATOM 806 OE1 GLN A 49 8.296 22.651 11.783 1.00 0.00 O ATOM 807 NE2 GLN A 49 10.174 23.873 11.925 1.00 0.00 N ATOM 0 H GLN A 49 8.227 24.038 9.177 1.00 0.00 H new ATOM 0 HA GLN A 49 10.218 22.795 7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.076 21.776 9.596 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.260 20.692 8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.516 21.194 10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.890 22.679 9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.116 24.046 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.797 24.446 12.680 1.00 0.00 H new ATOM 816 N HIS A 50 7.294 22.356 6.437 1.00 0.00 N ATOM 817 CA HIS A 50 6.554 21.777 5.321 1.00 0.00 C ATOM 818 C HIS A 50 7.075 22.310 3.989 1.00 0.00 C ATOM 819 O HIS A 50 6.538 21.990 2.929 1.00 0.00 O ATOM 820 CB HIS A 50 5.062 22.083 5.457 1.00 0.00 C ATOM 821 CG HIS A 50 4.324 21.096 6.308 1.00 0.00 C ATOM 822 ND1 HIS A 50 3.924 19.829 6.050 1.00 0.00 N flip ATOM 823 CD2 HIS A 50 3.912 21.371 7.595 1.00 0.00 C flip ATOM 824 CE1 HIS A 50 3.284 19.367 7.173 1.00 0.00 C flip ATOM 825 NE2 HIS A 50 3.291 20.316 8.091 1.00 0.00 N flip ATOM 0 H HIS A 50 6.801 23.101 6.929 1.00 0.00 H new ATOM 0 HA HIS A 50 6.699 20.697 5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.941 23.079 5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.612 22.103 4.465 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.072 22.303 8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 50 2.846 18.386 7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.886 20.246 9.024 1.00 0.00 H new ATOM 833 N MET A 51 8.123 23.125 4.053 1.00 0.00 N ATOM 834 CA MET A 51 8.716 23.701 2.852 1.00 0.00 C ATOM 835 C MET A 51 10.199 23.355 2.757 1.00 0.00 C ATOM 836 O MET A 51 10.966 23.606 3.687 1.00 0.00 O ATOM 837 CB MET A 51 8.534 25.220 2.846 1.00 0.00 C ATOM 838 CG MET A 51 7.528 25.708 1.816 1.00 0.00 C ATOM 839 SD MET A 51 8.315 26.391 0.345 1.00 0.00 S ATOM 840 CE MET A 51 9.446 25.068 -0.079 1.00 0.00 C ATOM 0 H MET A 51 8.578 23.401 4.923 1.00 0.00 H new ATOM 0 HA MET A 51 8.206 23.277 1.987 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.213 25.543 3.836 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.497 25.692 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.881 24.880 1.526 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.891 26.468 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.768 25.182 -1.114 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.315 25.108 0.578 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.944 24.108 0.041 1.00 0.00 H new ATOM 850 N VAL A 52 10.596 22.776 1.628 1.00 0.00 N ATOM 851 CA VAL A 52 11.987 22.396 1.412 1.00 0.00 C ATOM 852 C VAL A 52 12.632 23.261 0.336 1.00 0.00 C ATOM 853 O VAL A 52 11.958 23.744 -0.574 1.00 0.00 O ATOM 854 CB VAL A 52 12.107 20.915 1.005 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.438 20.657 0.316 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.943 20.014 2.220 1.00 0.00 C ATOM 0 H VAL A 52 9.974 22.560 0.849 1.00 0.00 H new ATOM 0 HA VAL A 52 12.508 22.549 2.357 1.00 0.00 H new ATOM 0 HB VAL A 52 11.309 20.684 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.505 19.606 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.511 21.276 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.253 20.904 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.031 18.971 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.718 20.244 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.963 20.180 2.666 1.00 0.00 H new ATOM 866 N TYR A 53 13.942 23.453 0.446 1.00 0.00 N ATOM 867 CA TYR A 53 14.680 24.263 -0.516 1.00 0.00 C ATOM 868 C TYR A 53 15.839 23.473 -1.117 1.00 0.00 C ATOM 869 O TYR A 53 17.006 23.761 -0.848 1.00 0.00 O ATOM 870 CB TYR A 53 15.206 25.534 0.152 1.00 0.00 C ATOM 871 CG TYR A 53 14.258 26.708 0.051 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.810 27.160 -1.185 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.811 27.366 1.190 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.944 28.232 -1.282 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.944 28.438 1.102 1.00 0.00 C ATOM 876 CZ TYR A 53 12.514 28.867 -0.136 1.00 0.00 C ATOM 877 OH TYR A 53 11.652 29.936 -0.228 1.00 0.00 O ATOM 0 H TYR A 53 14.515 23.059 1.192 1.00 0.00 H new ATOM 0 HA TYR A 53 13.997 24.540 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.403 25.327 1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 53 16.158 25.806 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.145 26.665 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.147 27.034 2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.606 28.571 -2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.605 28.937 1.998 1.00 0.00 H new ATOM 0 HH TYR A 53 11.446 30.268 0.671 1.00 0.00 H new ATOM 887 N CYS A 54 15.509 22.477 -1.931 1.00 0.00 N ATOM 888 CA CYS A 54 16.521 21.645 -2.571 1.00 0.00 C ATOM 889 C CYS A 54 17.498 22.498 -3.374 1.00 0.00 C ATOM 890 O CYS A 54 18.672 22.154 -3.510 1.00 0.00 O ATOM 891 CB CYS A 54 15.860 20.611 -3.483 1.00 0.00 C ATOM 892 SG CYS A 54 14.720 21.318 -4.696 1.00 0.00 S ATOM 0 H CYS A 54 14.548 22.226 -2.163 1.00 0.00 H new ATOM 0 HA CYS A 54 17.076 21.127 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.637 20.058 -4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.319 19.892 -2.867 1.00 0.00 H new ATOM 0 HG CYS A 54 15.042 22.557 -4.924 1.00 0.00 H new ATOM 898 N GLY A 55 17.005 23.613 -3.905 1.00 0.00 N ATOM 899 CA GLY A 55 17.848 24.496 -4.689 1.00 0.00 C ATOM 900 C GLY A 55 18.562 23.771 -5.812 1.00 0.00 C ATOM 901 O GLY A 55 17.941 23.365 -6.793 1.00 0.00 O ATOM 0 H GLY A 55 16.037 23.920 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.239 25.297 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.585 24.964 -4.036 1.00 0.00 H new ATOM 905 N GLY A 56 19.874 23.609 -5.669 1.00 0.00 N ATOM 906 CA GLY A 56 20.653 22.929 -6.687 1.00 0.00 C ATOM 907 C GLY A 56 21.513 21.819 -6.116 1.00 0.00 C ATOM 908 O GLY A 56 22.470 21.377 -6.750 1.00 0.00 O ATOM 0 H GLY A 56 20.411 23.937 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.980 22.513 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.290 23.652 -7.196 1.00 0.00 H new ATOM 912 N ASP A 57 21.172 21.369 -4.913 1.00 0.00 N ATOM 913 CA ASP A 57 21.920 20.304 -4.255 1.00 0.00 C ATOM 914 C ASP A 57 21.603 18.950 -4.882 1.00 0.00 C ATOM 915 O ASP A 57 20.809 18.859 -5.819 1.00 0.00 O ATOM 916 CB ASP A 57 21.599 20.275 -2.760 1.00 0.00 C ATOM 917 CG ASP A 57 22.847 20.279 -1.899 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.616 19.298 -1.965 1.00 0.00 O ATOM 919 OD2 ASP A 57 23.055 21.264 -1.159 1.00 0.00 O ATOM 0 H ASP A 57 20.383 21.725 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 57 22.983 20.505 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.984 21.138 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.009 19.386 -2.535 1.00 0.00 H new ATOM 924 N LEU A 58 22.230 17.902 -4.361 1.00 0.00 N ATOM 925 CA LEU A 58 22.017 16.552 -4.871 1.00 0.00 C ATOM 926 C LEU A 58 20.529 16.267 -5.051 1.00 0.00 C ATOM 927 O LEU A 58 20.086 15.885 -6.135 1.00 0.00 O ATOM 928 CB LEU A 58 22.633 15.523 -3.920 1.00 0.00 C ATOM 929 CG LEU A 58 24.156 15.394 -3.967 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.604 14.854 -5.317 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.814 16.736 -3.682 1.00 0.00 C ATOM 0 H LEU A 58 22.890 17.961 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 58 22.504 16.476 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.341 15.779 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.199 14.548 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 58 24.466 14.689 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.691 14.769 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.161 13.872 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.282 15.534 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.898 16.625 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.497 17.463 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.519 17.083 -2.692 1.00 0.00 H new ATOM 943 N LEU A 59 19.762 16.457 -3.984 1.00 0.00 N ATOM 944 CA LEU A 59 18.322 16.223 -4.024 1.00 0.00 C ATOM 945 C LEU A 59 17.657 17.106 -5.074 1.00 0.00 C ATOM 946 O LEU A 59 16.764 16.664 -5.797 1.00 0.00 O ATOM 947 CB LEU A 59 17.704 16.489 -2.651 1.00 0.00 C ATOM 948 CG LEU A 59 17.207 17.914 -2.403 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.321 17.963 -1.168 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.381 18.871 -2.258 1.00 0.00 C ATOM 0 H LEU A 59 20.113 16.773 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 59 18.155 15.180 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.867 15.805 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.444 16.246 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 59 16.614 18.226 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.977 18.985 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.461 17.309 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.889 17.631 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.008 19.880 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.001 18.561 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.976 18.858 -3.171 1.00 0.00 H new ATOM 962 N GLY A 60 18.099 18.357 -5.155 1.00 0.00 N ATOM 963 CA GLY A 60 17.537 19.282 -6.122 1.00 0.00 C ATOM 964 C GLY A 60 17.680 18.790 -7.548 1.00 0.00 C ATOM 965 O GLY A 60 16.686 18.537 -8.227 1.00 0.00 O ATOM 0 H GLY A 60 18.837 18.747 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.481 19.438 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.030 20.249 -6.024 1.00 0.00 H new ATOM 969 N GLU A 61 18.922 18.654 -8.003 1.00 0.00 N ATOM 970 CA GLU A 61 19.191 18.191 -9.359 1.00 0.00 C ATOM 971 C GLU A 61 18.456 16.884 -9.644 1.00 0.00 C ATOM 972 O GLU A 61 17.793 16.743 -10.672 1.00 0.00 O ATOM 973 CB GLU A 61 20.695 17.999 -9.567 1.00 0.00 C ATOM 974 CG GLU A 61 21.356 17.158 -8.487 1.00 0.00 C ATOM 975 CD GLU A 61 21.268 15.671 -8.770 1.00 0.00 C ATOM 976 OE1 GLU A 61 20.889 15.304 -9.902 1.00 0.00 O ATOM 977 OE2 GLU A 61 21.579 14.874 -7.860 1.00 0.00 O ATOM 0 H GLU A 61 19.756 18.858 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 61 18.829 18.950 -10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.862 17.528 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.176 18.976 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 61 22.404 17.446 -8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.885 17.370 -7.527 1.00 0.00 H new ATOM 984 N LEU A 62 18.579 15.932 -8.726 1.00 0.00 N ATOM 985 CA LEU A 62 17.927 14.635 -8.878 1.00 0.00 C ATOM 986 C LEU A 62 16.437 14.805 -9.157 1.00 0.00 C ATOM 987 O LEU A 62 15.884 14.155 -10.046 1.00 0.00 O ATOM 988 CB LEU A 62 18.128 13.791 -7.618 1.00 0.00 C ATOM 989 CG LEU A 62 18.622 12.361 -7.840 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.732 11.638 -8.839 1.00 0.00 C ATOM 991 CD2 LEU A 62 20.068 12.364 -8.314 1.00 0.00 C ATOM 0 H LEU A 62 19.123 16.033 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 62 18.381 14.124 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.840 14.304 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.182 13.748 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 62 18.574 11.828 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.099 10.622 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.711 11.604 -8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.747 12.169 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.403 11.338 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.142 12.914 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.696 12.843 -7.563 1.00 0.00 H new ATOM 1003 N LEU A 63 15.793 15.682 -8.396 1.00 0.00 N ATOM 1004 CA LEU A 63 14.367 15.939 -8.563 1.00 0.00 C ATOM 1005 C LEU A 63 14.093 16.649 -9.885 1.00 0.00 C ATOM 1006 O LEU A 63 13.217 16.244 -10.649 1.00 0.00 O ATOM 1007 CB LEU A 63 13.841 16.782 -7.400 1.00 0.00 C ATOM 1008 CG LEU A 63 12.788 16.118 -6.512 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.789 16.742 -5.125 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.410 16.226 -7.147 1.00 0.00 C ATOM 0 H LEU A 63 16.236 16.228 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 63 13.849 14.980 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.686 17.069 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.418 17.701 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 63 13.038 15.062 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.033 16.257 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.770 16.611 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.564 17.806 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.673 15.748 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.151 17.277 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.417 15.731 -8.118 1.00 0.00 H new ATOM 1022 N GLY A 64 14.850 17.709 -10.150 1.00 0.00 N ATOM 1023 CA GLY A 64 14.675 18.457 -11.381 1.00 0.00 C ATOM 1024 C GLY A 64 14.008 19.799 -11.155 1.00 0.00 C ATOM 1025 O GLY A 64 13.915 20.616 -12.071 1.00 0.00 O ATOM 0 H GLY A 64 15.582 18.063 -9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.647 18.612 -11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.076 17.870 -12.077 1.00 0.00 H new ATOM 1029 N ARG A 65 13.542 20.027 -9.932 1.00 0.00 N ATOM 1030 CA ARG A 65 12.877 21.279 -9.588 1.00 0.00 C ATOM 1031 C ARG A 65 13.792 22.168 -8.752 1.00 0.00 C ATOM 1032 O ARG A 65 14.994 21.920 -8.653 1.00 0.00 O ATOM 1033 CB ARG A 65 11.582 21.000 -8.824 1.00 0.00 C ATOM 1034 CG ARG A 65 10.974 19.641 -9.130 1.00 0.00 C ATOM 1035 CD ARG A 65 10.967 19.358 -10.624 1.00 0.00 C ATOM 1036 NE ARG A 65 10.943 20.586 -11.414 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.899 21.405 -11.467 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.800 21.129 -10.779 1.00 0.00 N ATOM 1039 NH2 ARG A 65 9.954 22.504 -12.209 1.00 0.00 N ATOM 0 H ARG A 65 13.612 19.362 -9.162 1.00 0.00 H new ATOM 0 HA ARG A 65 12.639 21.801 -10.514 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.780 21.067 -7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.855 21.776 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.538 18.864 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.954 19.603 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.850 18.775 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.098 18.749 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 65 11.773 20.828 -11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.755 20.286 -10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.000 21.760 -10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.798 22.720 -12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.152 23.133 -12.249 1.00 0.00 H new ATOM 1053 N GLN A 66 13.215 23.206 -8.154 1.00 0.00 N ATOM 1054 CA GLN A 66 13.980 24.133 -7.328 1.00 0.00 C ATOM 1055 C GLN A 66 13.636 23.957 -5.852 1.00 0.00 C ATOM 1056 O GLN A 66 14.492 24.117 -4.982 1.00 0.00 O ATOM 1057 CB GLN A 66 13.708 25.575 -7.758 1.00 0.00 C ATOM 1058 CG GLN A 66 13.824 25.794 -9.258 1.00 0.00 C ATOM 1059 CD GLN A 66 12.488 25.692 -9.967 1.00 0.00 C ATOM 1060 OE1 GLN A 66 11.596 26.515 -9.756 1.00 0.00 O ATOM 1061 NE2 GLN A 66 12.342 24.680 -10.814 1.00 0.00 N ATOM 0 H GLN A 66 12.222 23.426 -8.226 1.00 0.00 H new ATOM 0 HA GLN A 66 15.039 23.914 -7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.707 25.859 -7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.408 26.236 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.257 26.777 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.511 25.058 -9.677 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.107 24.021 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.464 24.561 -11.320 1.00 0.00 H new ATOM 1070 N SER A 67 12.379 23.626 -5.577 1.00 0.00 N ATOM 1071 CA SER A 67 11.921 23.433 -4.206 1.00 0.00 C ATOM 1072 C SER A 67 10.673 22.555 -4.169 1.00 0.00 C ATOM 1073 O SER A 67 10.224 22.051 -5.198 1.00 0.00 O ATOM 1074 CB SER A 67 11.629 24.782 -3.549 1.00 0.00 C ATOM 1075 OG SER A 67 11.041 25.683 -4.471 1.00 0.00 O ATOM 0 H SER A 67 11.659 23.486 -6.286 1.00 0.00 H new ATOM 0 HA SER A 67 12.714 22.931 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.961 24.639 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.554 25.208 -3.159 1.00 0.00 H new ATOM 0 HG SER A 67 10.863 26.537 -4.025 1.00 0.00 H new ATOM 1081 N PHE A 68 10.119 22.377 -2.975 1.00 0.00 N ATOM 1082 CA PHE A 68 8.923 21.560 -2.801 1.00 0.00 C ATOM 1083 C PHE A 68 8.511 21.505 -1.333 1.00 0.00 C ATOM 1084 O PHE A 68 9.355 21.553 -0.438 1.00 0.00 O ATOM 1085 CB PHE A 68 9.167 20.145 -3.328 1.00 0.00 C ATOM 1086 CG PHE A 68 10.303 19.438 -2.646 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.148 18.918 -1.371 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.527 19.294 -3.279 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.192 18.267 -0.740 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.574 18.644 -2.654 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.407 18.131 -1.383 1.00 0.00 C ATOM 0 H PHE A 68 10.479 22.787 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 68 8.114 22.018 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.257 19.558 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.370 20.195 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.200 19.022 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.664 19.694 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.058 17.866 0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.522 18.537 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.225 17.624 -0.892 1.00 0.00 H new ATOM 1101 N SER A 69 7.207 21.404 -1.094 1.00 0.00 N ATOM 1102 CA SER A 69 6.681 21.347 0.265 1.00 0.00 C ATOM 1103 C SER A 69 6.521 19.901 0.725 1.00 0.00 C ATOM 1104 O SER A 69 6.087 19.039 -0.039 1.00 0.00 O ATOM 1105 CB SER A 69 5.336 22.071 0.345 1.00 0.00 C ATOM 1106 OG SER A 69 5.513 23.477 0.340 1.00 0.00 O ATOM 0 H SER A 69 6.496 21.360 -1.824 1.00 0.00 H new ATOM 0 HA SER A 69 7.392 21.844 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.710 21.777 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.811 21.771 1.252 1.00 0.00 H new ATOM 0 HG SER A 69 4.639 23.917 0.390 1.00 0.00 H new ATOM 1112 N VAL A 70 6.876 19.643 1.980 1.00 0.00 N ATOM 1113 CA VAL A 70 6.771 18.303 2.544 1.00 0.00 C ATOM 1114 C VAL A 70 5.325 17.961 2.885 1.00 0.00 C ATOM 1115 O VAL A 70 5.012 16.828 3.252 1.00 0.00 O ATOM 1116 CB VAL A 70 7.633 18.159 3.812 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.651 19.286 3.897 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.754 18.128 5.053 1.00 0.00 C ATOM 0 H VAL A 70 7.239 20.345 2.625 1.00 0.00 H new ATOM 0 HA VAL A 70 7.135 17.611 1.785 1.00 0.00 H new ATOM 0 HB VAL A 70 8.176 17.215 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.251 19.167 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.301 19.256 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.132 20.244 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.380 18.026 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.182 19.054 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.069 17.282 4.993 1.00 0.00 H new ATOM 1128 N LYS A 71 4.444 18.949 2.760 1.00 0.00 N ATOM 1129 CA LYS A 71 3.029 18.754 3.053 1.00 0.00 C ATOM 1130 C LYS A 71 2.279 18.272 1.815 1.00 0.00 C ATOM 1131 O LYS A 71 1.208 17.675 1.921 1.00 0.00 O ATOM 1132 CB LYS A 71 2.409 20.057 3.563 1.00 0.00 C ATOM 1133 CG LYS A 71 1.308 19.846 4.588 1.00 0.00 C ATOM 1134 CD LYS A 71 0.687 21.164 5.018 1.00 0.00 C ATOM 1135 CE LYS A 71 1.194 21.600 6.384 1.00 0.00 C ATOM 1136 NZ LYS A 71 0.272 22.573 7.033 1.00 0.00 N ATOM 0 H LYS A 71 4.686 19.893 2.458 1.00 0.00 H new ATOM 0 HA LYS A 71 2.945 17.991 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.192 20.674 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.005 20.613 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.537 19.200 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.714 19.333 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.917 21.933 4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.398 21.064 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.309 20.726 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.181 22.050 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.653 22.846 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.182 23.418 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.663 22.135 7.157 1.00 0.00 H new ATOM 1150 N ASP A 72 2.849 18.533 0.644 1.00 0.00 N ATOM 1151 CA ASP A 72 2.235 18.123 -0.614 1.00 0.00 C ATOM 1152 C ASP A 72 3.115 17.113 -1.343 1.00 0.00 C ATOM 1153 O ASP A 72 4.065 17.469 -2.040 1.00 0.00 O ATOM 1154 CB ASP A 72 1.988 19.341 -1.505 1.00 0.00 C ATOM 1155 CG ASP A 72 0.940 20.275 -0.933 1.00 0.00 C ATOM 1156 OD1 ASP A 72 -0.263 19.958 -1.045 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.323 21.323 -0.371 1.00 0.00 O ATOM 0 H ASP A 72 3.735 19.027 0.539 1.00 0.00 H new ATOM 0 HA ASP A 72 1.280 17.649 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.923 19.886 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.672 19.006 -2.493 1.00 0.00 H new ATOM 1162 N PRO A 73 2.793 15.821 -1.180 1.00 0.00 N ATOM 1163 CA PRO A 73 3.542 14.732 -1.815 1.00 0.00 C ATOM 1164 C PRO A 73 3.339 14.693 -3.326 1.00 0.00 C ATOM 1165 O PRO A 73 2.935 13.672 -3.882 1.00 0.00 O ATOM 1166 CB PRO A 73 2.959 13.475 -1.165 1.00 0.00 C ATOM 1167 CG PRO A 73 1.588 13.870 -0.738 1.00 0.00 C ATOM 1168 CD PRO A 73 1.673 15.324 -0.364 1.00 0.00 C ATOM 0 HA PRO A 73 4.617 14.841 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.930 12.643 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.561 13.153 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.869 13.716 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.254 13.269 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.746 15.852 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.863 15.454 0.701 1.00 0.00 H new ATOM 1176 N SER A 74 3.621 15.812 -3.986 1.00 0.00 N ATOM 1177 CA SER A 74 3.466 15.907 -5.432 1.00 0.00 C ATOM 1178 C SER A 74 4.796 15.660 -6.138 1.00 0.00 C ATOM 1179 O SER A 74 4.995 14.645 -6.806 1.00 0.00 O ATOM 1180 CB SER A 74 2.918 17.281 -5.819 1.00 0.00 C ATOM 1181 OG SER A 74 1.526 17.220 -6.080 1.00 0.00 O ATOM 0 H SER A 74 3.958 16.666 -3.541 1.00 0.00 H new ATOM 0 HA SER A 74 2.759 15.140 -5.748 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.110 17.992 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.441 17.649 -6.702 1.00 0.00 H new ATOM 0 HG SER A 74 1.199 18.111 -6.324 1.00 0.00 H new ATOM 1187 N PRO A 75 5.730 16.611 -5.988 1.00 0.00 N ATOM 1188 CA PRO A 75 7.058 16.521 -6.603 1.00 0.00 C ATOM 1189 C PRO A 75 7.919 15.437 -5.965 1.00 0.00 C ATOM 1190 O PRO A 75 8.810 14.879 -6.608 1.00 0.00 O ATOM 1191 CB PRO A 75 7.662 17.904 -6.346 1.00 0.00 C ATOM 1192 CG PRO A 75 6.956 18.407 -5.135 1.00 0.00 C ATOM 1193 CD PRO A 75 5.562 17.848 -5.206 1.00 0.00 C ATOM 0 HA PRO A 75 7.002 16.255 -7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.737 17.842 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.509 18.567 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.461 18.082 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.939 19.497 -5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.160 17.645 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.875 18.541 -5.692 1.00 0.00 H new ATOM 1201 N LEU A 76 7.649 15.142 -4.698 1.00 0.00 N ATOM 1202 CA LEU A 76 8.400 14.123 -3.973 1.00 0.00 C ATOM 1203 C LEU A 76 8.283 12.767 -4.662 1.00 0.00 C ATOM 1204 O LEU A 76 9.287 12.163 -5.040 1.00 0.00 O ATOM 1205 CB LEU A 76 7.898 14.020 -2.532 1.00 0.00 C ATOM 1206 CG LEU A 76 8.758 13.190 -1.579 1.00 0.00 C ATOM 1207 CD1 LEU A 76 9.889 14.032 -1.009 1.00 0.00 C ATOM 1208 CD2 LEU A 76 7.906 12.610 -0.459 1.00 0.00 C ATOM 0 H LEU A 76 6.916 15.594 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 76 9.450 14.417 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.811 15.028 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.895 13.595 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 76 9.195 12.365 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.490 13.424 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.516 14.398 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.473 14.878 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.535 12.022 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.440 13.421 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.132 11.971 -0.884 1.00 0.00 H new ATOM 1220 N TYR A 77 7.052 12.296 -4.823 1.00 0.00 N ATOM 1221 CA TYR A 77 6.804 11.011 -5.467 1.00 0.00 C ATOM 1222 C TYR A 77 7.281 11.026 -6.916 1.00 0.00 C ATOM 1223 O TYR A 77 7.829 10.041 -7.411 1.00 0.00 O ATOM 1224 CB TYR A 77 5.314 10.669 -5.413 1.00 0.00 C ATOM 1225 CG TYR A 77 4.880 10.060 -4.099 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.151 8.729 -3.804 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.198 10.814 -3.152 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.756 8.168 -2.605 1.00 0.00 C ATOM 1229 CE2 TYR A 77 3.800 10.262 -1.950 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.081 8.938 -1.681 1.00 0.00 C ATOM 1231 OH TYR A 77 3.686 8.384 -0.485 1.00 0.00 O ATOM 0 H TYR A 77 6.210 12.784 -4.517 1.00 0.00 H new ATOM 0 HA TYR A 77 7.365 10.249 -4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.735 11.575 -5.593 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.079 9.975 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.680 8.123 -4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.975 11.850 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.975 7.132 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.272 10.863 -1.225 1.00 0.00 H new ATOM 0 HH TYR A 77 3.224 9.061 0.052 1.00 0.00 H new ATOM 1241 N ASP A 78 7.069 12.151 -7.590 1.00 0.00 N ATOM 1242 CA ASP A 78 7.478 12.297 -8.982 1.00 0.00 C ATOM 1243 C ASP A 78 8.955 11.956 -9.153 1.00 0.00 C ATOM 1244 O ASP A 78 9.342 11.295 -10.116 1.00 0.00 O ATOM 1245 CB ASP A 78 7.212 13.724 -9.467 1.00 0.00 C ATOM 1246 CG ASP A 78 6.760 13.769 -10.913 1.00 0.00 C ATOM 1247 OD1 ASP A 78 7.631 13.799 -11.807 1.00 0.00 O ATOM 1248 OD2 ASP A 78 5.534 13.773 -11.150 1.00 0.00 O ATOM 0 H ASP A 78 6.616 12.975 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 78 6.891 11.602 -9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.450 14.183 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.119 14.318 -9.354 1.00 0.00 H new ATOM 1253 N MET A 79 9.775 12.411 -8.211 1.00 0.00 N ATOM 1254 CA MET A 79 11.210 12.153 -8.258 1.00 0.00 C ATOM 1255 C MET A 79 11.515 10.708 -7.875 1.00 0.00 C ATOM 1256 O MET A 79 12.236 10.006 -8.586 1.00 0.00 O ATOM 1257 CB MET A 79 11.952 13.109 -7.323 1.00 0.00 C ATOM 1258 CG MET A 79 13.207 12.508 -6.711 1.00 0.00 C ATOM 1259 SD MET A 79 12.892 11.702 -5.129 1.00 0.00 S ATOM 1260 CE MET A 79 12.553 13.121 -4.089 1.00 0.00 C ATOM 0 H MET A 79 9.471 12.960 -7.407 1.00 0.00 H new ATOM 0 HA MET A 79 11.551 12.319 -9.280 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.222 14.008 -7.876 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.279 13.417 -6.523 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.634 11.783 -7.405 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.951 13.293 -6.573 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.740 12.862 -3.047 1.00 0.00 H new ATOM 0 HE2 MET A 79 13.201 13.948 -4.379 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.511 13.418 -4.207 1.00 0.00 H new ATOM 1270 N LEU A 80 10.963 10.271 -6.749 1.00 0.00 N ATOM 1271 CA LEU A 80 11.177 8.909 -6.271 1.00 0.00 C ATOM 1272 C LEU A 80 10.797 7.890 -7.341 1.00 0.00 C ATOM 1273 O LEU A 80 11.462 6.867 -7.503 1.00 0.00 O ATOM 1274 CB LEU A 80 10.363 8.659 -5.001 1.00 0.00 C ATOM 1275 CG LEU A 80 10.596 9.640 -3.851 1.00 0.00 C ATOM 1276 CD1 LEU A 80 9.447 9.578 -2.855 1.00 0.00 C ATOM 1277 CD2 LEU A 80 11.919 9.346 -3.159 1.00 0.00 C ATOM 0 H LEU A 80 10.364 10.839 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 80 12.237 8.793 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.305 8.680 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.583 7.653 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 80 10.640 10.648 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.630 10.283 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.515 9.838 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.371 8.569 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.068 10.054 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.904 8.331 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.734 9.442 -3.876 1.00 0.00 H new ATOM 1289 N ARG A 81 9.723 8.179 -8.070 1.00 0.00 N ATOM 1290 CA ARG A 81 9.255 7.288 -9.125 1.00 0.00 C ATOM 1291 C ARG A 81 10.430 6.630 -9.842 1.00 0.00 C ATOM 1292 O ARG A 81 10.532 5.404 -9.894 1.00 0.00 O ATOM 1293 CB ARG A 81 8.399 8.061 -10.131 1.00 0.00 C ATOM 1294 CG ARG A 81 6.959 8.253 -9.683 1.00 0.00 C ATOM 1295 CD ARG A 81 6.308 9.432 -10.390 1.00 0.00 C ATOM 1296 NE ARG A 81 5.417 9.002 -11.464 1.00 0.00 N ATOM 1297 CZ ARG A 81 4.275 8.356 -11.257 1.00 0.00 C ATOM 1298 NH1 ARG A 81 3.887 8.068 -10.023 1.00 0.00 N ATOM 1299 NH2 ARG A 81 3.518 7.998 -12.287 1.00 0.00 N ATOM 0 H ARG A 81 9.162 9.022 -7.949 1.00 0.00 H new ATOM 0 HA ARG A 81 8.649 6.508 -8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.850 9.038 -10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.407 7.532 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.390 7.346 -9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.930 8.413 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.745 10.023 -9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.082 10.082 -10.799 1.00 0.00 H new ATOM 0 HE ARG A 81 5.686 9.209 -12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.466 8.343 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.010 7.572 -9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.813 8.219 -13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.641 7.502 -12.127 1.00 0.00 H new ATOM 1313 N LYS A 82 11.316 7.452 -10.395 1.00 0.00 N ATOM 1314 CA LYS A 82 12.484 6.951 -11.108 1.00 0.00 C ATOM 1315 C LYS A 82 13.759 7.200 -10.308 1.00 0.00 C ATOM 1316 O LYS A 82 14.852 6.827 -10.731 1.00 0.00 O ATOM 1317 CB LYS A 82 12.594 7.618 -12.481 1.00 0.00 C ATOM 1318 CG LYS A 82 13.483 8.849 -12.490 1.00 0.00 C ATOM 1319 CD LYS A 82 12.941 9.936 -11.578 1.00 0.00 C ATOM 1320 CE LYS A 82 11.551 10.381 -12.006 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.477 11.854 -12.207 1.00 0.00 N ATOM 0 H LYS A 82 11.247 8.469 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 82 12.363 5.876 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.983 6.894 -13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.597 7.898 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.489 8.575 -12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.564 9.233 -13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.907 9.568 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.617 10.791 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.276 9.874 -12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.825 10.081 -11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.514 12.185 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.153 12.325 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.712 12.082 -13.194 1.00 0.00 H new ATOM 1335 N ASN A 83 13.609 7.831 -9.147 1.00 0.00 N ATOM 1336 CA ASN A 83 14.749 8.128 -8.287 1.00 0.00 C ATOM 1337 C ASN A 83 14.968 7.012 -7.270 1.00 0.00 C ATOM 1338 O ASN A 83 16.081 6.508 -7.116 1.00 0.00 O ATOM 1339 CB ASN A 83 14.534 9.459 -7.563 1.00 0.00 C ATOM 1340 CG ASN A 83 15.620 9.744 -6.544 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.646 10.343 -6.865 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.398 9.314 -5.307 1.00 0.00 N ATOM 0 H ASN A 83 12.711 8.146 -8.781 1.00 0.00 H new ATOM 0 HA ASN A 83 15.637 8.203 -8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.505 10.267 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.565 9.446 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.093 9.476 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.533 8.822 -5.086 1.00 0.00 H new ATOM 1349 N LEU A 84 13.900 6.631 -6.579 1.00 0.00 N ATOM 1350 CA LEU A 84 13.975 5.574 -5.576 1.00 0.00 C ATOM 1351 C LEU A 84 13.899 4.198 -6.230 1.00 0.00 C ATOM 1352 O LEU A 84 12.812 3.684 -6.495 1.00 0.00 O ATOM 1353 CB LEU A 84 12.845 5.730 -4.557 1.00 0.00 C ATOM 1354 CG LEU A 84 13.275 6.012 -3.117 1.00 0.00 C ATOM 1355 CD1 LEU A 84 12.058 6.186 -2.221 1.00 0.00 C ATOM 1356 CD2 LEU A 84 14.166 4.893 -2.597 1.00 0.00 C ATOM 0 H LEU A 84 12.972 7.038 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 84 14.933 5.660 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.195 6.541 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.247 4.819 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 84 13.846 6.940 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.383 6.386 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.458 7.022 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.460 5.275 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.462 5.111 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.620 3.950 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.055 4.815 -3.223 1.00 0.00 H new ATOM 1368 N VAL A 85 15.061 3.604 -6.484 1.00 0.00 N ATOM 1369 CA VAL A 85 15.127 2.286 -7.104 1.00 0.00 C ATOM 1370 C VAL A 85 14.005 1.385 -6.599 1.00 0.00 C ATOM 1371 O VAL A 85 13.683 1.382 -5.410 1.00 0.00 O ATOM 1372 CB VAL A 85 16.480 1.604 -6.829 1.00 0.00 C ATOM 1373 CG1 VAL A 85 16.347 0.092 -6.931 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.541 2.120 -7.790 1.00 0.00 C ATOM 0 H VAL A 85 15.970 4.015 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 85 15.015 2.435 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 85 16.791 1.849 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.313 -0.372 -6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.619 -0.259 -6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.013 -0.177 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.491 1.628 -7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.238 1.906 -8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.655 3.197 -7.663 1.00 0.00 H new ATOM 1499 N PHE B 119 10.502 19.158 12.125 1.00 0.00 N ATOM 1500 CA PHE B 119 10.578 18.370 10.901 1.00 0.00 C ATOM 1501 C PHE B 119 10.674 16.880 11.218 1.00 0.00 C ATOM 1502 O PHE B 119 10.253 16.037 10.426 1.00 0.00 O ATOM 1503 CB PHE B 119 11.782 18.803 10.063 1.00 0.00 C ATOM 1504 CG PHE B 119 11.726 18.324 8.640 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.519 18.264 7.963 1.00 0.00 C ATOM 1506 CD2 PHE B 119 12.881 17.935 7.981 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.465 17.822 6.654 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.833 17.493 6.672 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.624 17.438 6.008 1.00 0.00 C ATOM 0 HA PHE B 119 9.666 18.544 10.330 1.00 0.00 H new ATOM 0 HB2 PHE B 119 11.846 19.891 10.069 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.693 18.427 10.529 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.610 18.566 8.463 1.00 0.00 H new ATOM 0 HD2 PHE B 119 13.829 17.978 8.496 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.518 17.777 6.137 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.740 17.191 6.170 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.584 17.095 4.985 1.00 0.00 H new ATOM 1519 N SER B 120 11.232 16.564 12.383 1.00 0.00 N ATOM 1520 CA SER B 120 11.388 15.177 12.804 1.00 0.00 C ATOM 1521 C SER B 120 10.029 14.510 12.992 1.00 0.00 C ATOM 1522 O SER B 120 9.830 13.360 12.599 1.00 0.00 O ATOM 1523 CB SER B 120 12.189 15.105 14.106 1.00 0.00 C ATOM 1524 OG SER B 120 13.001 13.944 14.141 1.00 0.00 O ATOM 0 H SER B 120 11.583 17.250 13.051 1.00 0.00 H new ATOM 0 HA SER B 120 11.929 14.644 12.022 1.00 0.00 H new ATOM 0 HB2 SER B 120 12.814 15.993 14.202 1.00 0.00 H new ATOM 0 HB3 SER B 120 11.507 15.102 14.956 1.00 0.00 H new ATOM 0 HG SER B 120 13.504 13.922 14.982 1.00 0.00 H new ATOM 1530 N ASP B 121 9.098 15.240 13.595 1.00 0.00 N ATOM 1531 CA ASP B 121 7.756 14.721 13.835 1.00 0.00 C ATOM 1532 C ASP B 121 6.854 14.968 12.629 1.00 0.00 C ATOM 1533 O ASP B 121 5.980 14.157 12.318 1.00 0.00 O ATOM 1534 CB ASP B 121 7.151 15.368 15.081 1.00 0.00 C ATOM 1535 CG ASP B 121 6.158 14.461 15.781 1.00 0.00 C ATOM 1536 OD1 ASP B 121 6.001 13.302 15.342 1.00 0.00 O ATOM 1537 OD2 ASP B 121 5.540 14.909 16.769 1.00 0.00 O ATOM 0 H ASP B 121 9.247 16.193 13.927 1.00 0.00 H new ATOM 0 HA ASP B 121 7.832 13.645 13.995 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.950 15.631 15.774 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.655 16.297 14.800 1.00 0.00 H new ATOM 1542 N LEU B 122 7.071 16.092 11.956 1.00 0.00 N ATOM 1543 CA LEU B 122 6.277 16.447 10.784 1.00 0.00 C ATOM 1544 C LEU B 122 6.661 15.587 9.585 1.00 0.00 C ATOM 1545 O LEU B 122 5.808 14.949 8.967 1.00 0.00 O ATOM 1546 CB LEU B 122 6.465 17.927 10.446 1.00 0.00 C ATOM 1547 CG LEU B 122 5.395 18.551 9.549 1.00 0.00 C ATOM 1548 CD1 LEU B 122 4.054 18.589 10.265 1.00 0.00 C ATOM 1549 CD2 LEU B 122 5.811 19.950 9.118 1.00 0.00 C ATOM 0 H LEU B 122 7.789 16.773 12.201 1.00 0.00 H new ATOM 0 HA LEU B 122 5.228 16.264 11.017 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.503 18.490 11.378 1.00 0.00 H new ATOM 0 HB3 LEU B 122 7.434 18.048 9.961 1.00 0.00 H new ATOM 0 HG LEU B 122 5.290 17.933 8.657 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.305 19.036 9.611 1.00 0.00 H new ATOM 0 HD12 LEU B 122 3.751 17.574 10.524 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.144 19.184 11.174 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.038 20.379 8.480 1.00 0.00 H new ATOM 0 HD22 LEU B 122 5.944 20.578 9.999 1.00 0.00 H new ATOM 0 HD23 LEU B 122 6.749 19.897 8.565 1.00 0.00 H new ATOM 1561 N TRP B 123 7.949 15.572 9.263 1.00 0.00 N ATOM 1562 CA TRP B 123 8.447 14.787 8.138 1.00 0.00 C ATOM 1563 C TRP B 123 7.709 13.457 8.034 1.00 0.00 C ATOM 1564 O TRP B 123 7.109 13.148 7.004 1.00 0.00 O ATOM 1565 CB TRP B 123 9.949 14.541 8.287 1.00 0.00 C ATOM 1566 CG TRP B 123 10.524 13.699 7.188 1.00 0.00 C ATOM 1567 CD1 TRP B 123 11.107 12.471 7.317 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.574 14.025 5.795 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.516 12.013 6.087 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.199 12.948 5.137 1.00 0.00 C ATOM 1571 CE3 TRP B 123 10.149 15.121 5.039 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.410 12.938 3.761 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.358 15.109 3.673 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.983 14.024 3.045 1.00 0.00 C ATOM 0 H TRP B 123 8.668 16.094 9.764 1.00 0.00 H new ATOM 0 HA TRP B 123 8.268 15.353 7.224 1.00 0.00 H new ATOM 0 HB2 TRP B 123 10.467 15.500 8.309 1.00 0.00 H new ATOM 0 HB3 TRP B 123 10.137 14.055 9.244 1.00 0.00 H new ATOM 0 HD1 TRP B 123 11.229 11.938 8.248 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.980 11.122 5.910 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.666 15.962 5.514 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.893 12.103 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 10.034 15.951 3.079 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.131 14.045 1.975 1.00 0.00 H new ATOM 1585 N LYS B 124 7.757 12.673 9.105 1.00 0.00 N ATOM 1586 CA LYS B 124 7.092 11.376 9.135 1.00 0.00 C ATOM 1587 C LYS B 124 5.609 11.517 8.808 1.00 0.00 C ATOM 1588 O LYS B 124 5.019 10.648 8.165 1.00 0.00 O ATOM 1589 CB LYS B 124 7.262 10.724 10.509 1.00 0.00 C ATOM 1590 CG LYS B 124 7.791 9.302 10.447 1.00 0.00 C ATOM 1591 CD LYS B 124 7.485 8.536 11.723 1.00 0.00 C ATOM 1592 CE LYS B 124 6.015 8.157 11.807 1.00 0.00 C ATOM 1593 NZ LYS B 124 5.757 7.171 12.893 1.00 0.00 N ATOM 0 H LYS B 124 8.250 12.913 9.965 1.00 0.00 H new ATOM 0 HA LYS B 124 7.554 10.742 8.379 1.00 0.00 H new ATOM 0 HB2 LYS B 124 7.942 11.330 11.107 1.00 0.00 H new ATOM 0 HB3 LYS B 124 6.301 10.723 11.023 1.00 0.00 H new ATOM 0 HG2 LYS B 124 7.348 8.785 9.596 1.00 0.00 H new ATOM 0 HG3 LYS B 124 8.868 9.321 10.282 1.00 0.00 H new ATOM 0 HD2 LYS B 124 8.097 7.635 11.763 1.00 0.00 H new ATOM 0 HD3 LYS B 124 7.755 9.143 12.587 1.00 0.00 H new ATOM 0 HE2 LYS B 124 5.419 9.053 11.981 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.693 7.739 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.744 6.939 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 6.306 6.306 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 6.041 7.579 13.807 1.00 0.00 H new ATOM 1607 N LEU B 125 5.012 12.618 9.252 1.00 0.00 N ATOM 1608 CA LEU B 125 3.597 12.874 9.005 1.00 0.00 C ATOM 1609 C LEU B 125 3.304 12.914 7.509 1.00 0.00 C ATOM 1610 O LEU B 125 2.148 12.854 7.089 1.00 0.00 O ATOM 1611 CB LEU B 125 3.177 14.194 9.654 1.00 0.00 C ATOM 1612 CG LEU B 125 1.808 14.201 10.335 1.00 0.00 C ATOM 1613 CD1 LEU B 125 1.888 14.889 11.689 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.775 14.882 9.449 1.00 0.00 C ATOM 0 H LEU B 125 5.486 13.348 9.785 1.00 0.00 H new ATOM 0 HA LEU B 125 3.023 12.060 9.447 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.930 14.468 10.393 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.184 14.970 8.889 1.00 0.00 H new ATOM 0 HG LEU B 125 1.498 13.168 10.493 1.00 0.00 H new ATOM 0 HD11 LEU B 125 0.904 14.884 12.158 1.00 0.00 H new ATOM 0 HD12 LEU B 125 2.596 14.358 12.325 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.221 15.918 11.555 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.193 14.878 9.950 1.00 0.00 H new ATOM 0 HD22 LEU B 125 1.081 15.911 9.259 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.697 14.346 8.503 1.00 0.00 H new ATOM 1626 N LEU B 126 4.359 13.014 6.707 1.00 0.00 N ATOM 1627 CA LEU B 126 4.216 13.059 5.256 1.00 0.00 C ATOM 1628 C LEU B 126 3.063 12.173 4.795 1.00 0.00 C ATOM 1629 O LEU B 126 3.104 10.948 4.912 1.00 0.00 O ATOM 1630 CB LEU B 126 5.516 12.616 4.582 1.00 0.00 C ATOM 1631 CG LEU B 126 6.452 13.737 4.128 1.00 0.00 C ATOM 1632 CD1 LEU B 126 7.901 13.369 4.410 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.253 14.033 2.649 1.00 0.00 C ATOM 0 H LEU B 126 5.323 13.065 7.037 1.00 0.00 H new ATOM 0 HA LEU B 126 3.997 14.087 4.969 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.060 11.973 5.274 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.263 12.007 3.714 1.00 0.00 H new ATOM 0 HG LEU B 126 6.210 14.637 4.693 1.00 0.00 H new ATOM 0 HD11 LEU B 126 8.553 14.178 4.080 1.00 0.00 H new ATOM 0 HD12 LEU B 126 8.034 13.209 5.480 1.00 0.00 H new ATOM 0 HD13 LEU B 126 8.156 12.456 3.872 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.927 14.833 2.344 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.467 13.137 2.067 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.222 14.341 2.475 1.00 0.00 H new