USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 792 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 22 HIS : no HD1:sc= -9.31! C(o=-12!,f=-17!) USER MOD Set 1.2: A 81 SER OG : rot 144:sc= -2.39! USER MOD Set 2.1: A 29 ASN :FLIP amide:sc= -0.0505 X(o=-7.1,f=-7) USER MOD Set 2.2: A 74 GLN :FLIP amide:sc= -6.97! C(o=-11!,f=-7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0055 X(o=-0.0055,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.84) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.12 F(o=-3.7!,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 24 GLN : amide:sc= -1.81 K(o=-1.8,f=-2.7!) USER MOD Single : A 27 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 159:sc= -0.333 (180deg=-1.11) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.763 F(o=-4.4!,f=-0.76) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.301 K(o=-0.3,f=-0.85) USER MOD Single : A 36 HIS : no HD1:sc= -3.04! C(o=-3!,f=-4.7!) USER MOD Single : A 38 GLN : amide:sc= -0.061 X(o=-0.061,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.01 X(o=-1,f=-1.4!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 48 MET CE :methyl -165:sc=-0.00467 (180deg=-0.333) USER MOD Single : A 49 GLN :FLIP amide:sc= -5.53! C(o=-7.3!,f=-5.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0908) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.722 F(o=-2.6,f=-0.72) USER MOD Single : A 60 MET CE :methyl 153:sc= -1.38 (180deg=-3.32) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00569) USER MOD Single : A 65 GLN :FLIP amide:sc= -6.13! C(o=-9.8!,f=-6.1!) USER MOD Single : A 66 GLN : amide:sc= -0.0206 K(o=-0.021,f=-2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 80 ASN : amide:sc= -1.31 K(o=-1.3,f=-9.3!) USER MOD Single : A 83 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.57) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 86 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.28) USER MOD Single : A 88 ASN :FLIP amide:sc= -1.59! C(o=-2.3!,f=-1.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.1) USER MOD Single : A 95 HIS : no HD1:sc= -0.583 X(o=-0.58,f=-0.55) USER MOD Single : A 101 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 1.512 -13.991 -11.435 1.00 0.00 N ATOM 42 CA GLY A 3 2.281 -12.824 -11.950 1.00 0.00 C ATOM 43 C GLY A 3 1.479 -11.544 -11.713 1.00 0.00 C ATOM 44 O GLY A 3 1.987 -10.448 -11.838 1.00 0.00 O ATOM 0 HA2 GLY A 3 3.246 -12.760 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.483 -12.948 -13.014 1.00 0.00 H new ATOM 48 N LYS A 4 0.225 -11.675 -11.372 1.00 0.00 N ATOM 49 CA LYS A 4 -0.611 -10.467 -11.128 1.00 0.00 C ATOM 50 C LYS A 4 -0.015 -9.655 -9.985 1.00 0.00 C ATOM 51 O LYS A 4 -0.107 -8.446 -9.966 1.00 0.00 O ATOM 52 CB LYS A 4 -2.028 -10.890 -10.759 1.00 0.00 C ATOM 53 CG LYS A 4 -3.036 -10.143 -11.635 1.00 0.00 C ATOM 54 CD LYS A 4 -3.158 -10.845 -12.989 1.00 0.00 C ATOM 55 CE LYS A 4 -4.316 -11.843 -12.946 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.623 -12.305 -14.329 1.00 0.00 N ATOM 0 H LYS A 4 -0.255 -12.567 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.636 -9.860 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.143 -11.966 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.219 -10.677 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.008 -10.110 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.716 -9.111 -11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.326 -10.111 -13.777 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.228 -11.361 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.054 -12.693 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.196 -11.377 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.410 -12.984 -14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.890 -11.489 -14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.784 -12.765 -14.736 1.00 0.00 H new ATOM 70 N LEU A 5 0.599 -10.296 -9.027 1.00 0.00 N ATOM 71 CA LEU A 5 1.192 -9.511 -7.914 1.00 0.00 C ATOM 72 C LEU A 5 1.888 -8.316 -8.541 1.00 0.00 C ATOM 73 O LEU A 5 1.677 -7.188 -8.154 1.00 0.00 O ATOM 74 CB LEU A 5 2.220 -10.345 -7.143 1.00 0.00 C ATOM 75 CG LEU A 5 1.565 -11.543 -6.434 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.048 -11.361 -6.295 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.854 -12.815 -7.228 1.00 0.00 C ATOM 0 H LEU A 5 0.713 -11.308 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 5 0.415 -9.207 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.987 -10.703 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.721 -9.716 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 5 1.986 -11.615 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.378 -12.228 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.159 -10.463 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.399 -11.262 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.392 -13.668 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.445 -12.717 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.931 -12.970 -7.288 1.00 0.00 H new ATOM 89 N ASN A 6 2.697 -8.553 -9.534 1.00 0.00 N ATOM 90 CA ASN A 6 3.378 -7.423 -10.204 1.00 0.00 C ATOM 91 C ASN A 6 2.333 -6.348 -10.487 1.00 0.00 C ATOM 92 O ASN A 6 2.603 -5.166 -10.405 1.00 0.00 O ATOM 93 CB ASN A 6 3.999 -7.902 -11.519 1.00 0.00 C ATOM 94 CG ASN A 6 5.493 -7.574 -11.527 1.00 0.00 C ATOM 95 OD1 ASN A 6 5.944 -6.762 -12.310 1.00 0.00 O ATOM 96 ND2 ASN A 6 6.285 -8.174 -10.682 1.00 0.00 N ATOM 0 H ASN A 6 2.913 -9.478 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 6 4.170 -7.025 -9.570 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.851 -8.976 -11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.506 -7.420 -12.363 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.283 -7.961 -10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.907 -8.856 -10.024 1.00 0.00 H new ATOM 103 N ASP A 7 1.124 -6.749 -10.798 1.00 0.00 N ATOM 104 CA ASP A 7 0.061 -5.741 -11.057 1.00 0.00 C ATOM 105 C ASP A 7 -0.284 -5.052 -9.737 1.00 0.00 C ATOM 106 O ASP A 7 -0.561 -3.870 -9.690 1.00 0.00 O ATOM 107 CB ASP A 7 -1.181 -6.438 -11.613 1.00 0.00 C ATOM 108 CG ASP A 7 -1.967 -5.459 -12.486 1.00 0.00 C ATOM 109 OD1 ASP A 7 -2.612 -4.586 -11.929 1.00 0.00 O ATOM 110 OD2 ASP A 7 -1.909 -5.598 -13.698 1.00 0.00 O ATOM 0 H ASP A 7 0.834 -7.723 -10.882 1.00 0.00 H new ATOM 0 HA ASP A 7 0.409 -5.006 -11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.890 -7.311 -12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.807 -6.796 -10.796 1.00 0.00 H new ATOM 115 N LEU A 8 -0.249 -5.787 -8.658 1.00 0.00 N ATOM 116 CA LEU A 8 -0.551 -5.191 -7.328 1.00 0.00 C ATOM 117 C LEU A 8 0.695 -4.453 -6.838 1.00 0.00 C ATOM 118 O LEU A 8 0.632 -3.346 -6.342 1.00 0.00 O ATOM 119 CB LEU A 8 -0.886 -6.312 -6.338 1.00 0.00 C ATOM 120 CG LEU A 8 -2.391 -6.351 -6.068 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.855 -4.990 -5.551 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.137 -6.689 -7.360 1.00 0.00 C ATOM 0 H LEU A 8 -0.022 -6.781 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.395 -4.506 -7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.557 -7.271 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.346 -6.155 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.602 -7.114 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.928 -5.020 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.328 -4.753 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.641 -4.225 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.209 -6.716 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.924 -5.929 -8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.810 -7.663 -7.725 1.00 0.00 H new ATOM 134 N LEU A 9 1.826 -5.081 -6.980 1.00 0.00 N ATOM 135 CA LEU A 9 3.106 -4.470 -6.539 1.00 0.00 C ATOM 136 C LEU A 9 3.371 -3.178 -7.316 1.00 0.00 C ATOM 137 O LEU A 9 3.509 -2.116 -6.744 1.00 0.00 O ATOM 138 CB LEU A 9 4.237 -5.460 -6.816 1.00 0.00 C ATOM 139 CG LEU A 9 5.320 -5.309 -5.754 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.482 -6.242 -6.082 1.00 0.00 C ATOM 141 CD2 LEU A 9 5.820 -3.864 -5.738 1.00 0.00 C ATOM 0 H LEU A 9 1.918 -6.010 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 9 3.051 -4.238 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.851 -6.479 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.657 -5.281 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 9 4.910 -5.563 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.258 -6.136 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.128 -7.273 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.891 -5.984 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.594 -3.755 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.232 -3.611 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.991 -3.195 -5.509 1.00 0.00 H new ATOM 153 N GLU A 10 3.458 -3.265 -8.615 1.00 0.00 N ATOM 154 CA GLU A 10 3.732 -2.045 -9.426 1.00 0.00 C ATOM 155 C GLU A 10 2.674 -0.976 -9.139 1.00 0.00 C ATOM 156 O GLU A 10 2.968 0.202 -9.095 1.00 0.00 O ATOM 157 CB GLU A 10 3.706 -2.407 -10.914 1.00 0.00 C ATOM 158 CG GLU A 10 2.272 -2.727 -11.340 1.00 0.00 C ATOM 159 CD GLU A 10 1.638 -1.488 -11.975 1.00 0.00 C ATOM 160 OE1 GLU A 10 1.708 -0.433 -11.366 1.00 0.00 O ATOM 161 OE2 GLU A 10 1.095 -1.615 -13.060 1.00 0.00 O ATOM 0 H GLU A 10 3.351 -4.127 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 10 4.714 -1.652 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.096 -1.579 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.352 -3.265 -11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.269 -3.554 -12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.688 -3.045 -10.477 1.00 0.00 H new ATOM 168 N ASP A 11 1.447 -1.373 -8.944 1.00 0.00 N ATOM 169 CA ASP A 11 0.377 -0.373 -8.663 1.00 0.00 C ATOM 170 C ASP A 11 0.515 0.138 -7.227 1.00 0.00 C ATOM 171 O ASP A 11 0.358 1.312 -6.958 1.00 0.00 O ATOM 172 CB ASP A 11 -0.993 -1.030 -8.842 1.00 0.00 C ATOM 173 CG ASP A 11 -1.296 -1.181 -10.334 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.690 -2.036 -10.958 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.129 -0.439 -10.827 1.00 0.00 O ATOM 0 H ASP A 11 1.139 -2.345 -8.967 1.00 0.00 H new ATOM 0 HA ASP A 11 0.473 0.464 -9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.006 -2.006 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.763 -0.426 -8.363 1.00 0.00 H new ATOM 180 N LEU A 12 0.807 -0.734 -6.301 1.00 0.00 N ATOM 181 CA LEU A 12 0.953 -0.296 -4.884 1.00 0.00 C ATOM 182 C LEU A 12 2.186 0.596 -4.748 1.00 0.00 C ATOM 183 O LEU A 12 2.127 1.675 -4.193 1.00 0.00 O ATOM 184 CB LEU A 12 1.116 -1.524 -3.986 1.00 0.00 C ATOM 185 CG LEU A 12 1.614 -1.091 -2.607 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.698 0.002 -2.050 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.603 -2.297 -1.666 1.00 0.00 C ATOM 0 H LEU A 12 0.951 -1.731 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 12 0.066 0.262 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.164 -2.047 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.821 -2.224 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 12 2.629 -0.701 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.055 0.309 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.704 0.860 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.318 -0.384 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.957 -1.993 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.588 -2.684 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.256 -3.074 -2.063 1.00 0.00 H new ATOM 199 N GLN A 13 3.307 0.151 -5.244 1.00 0.00 N ATOM 200 CA GLN A 13 4.545 0.971 -5.136 1.00 0.00 C ATOM 201 C GLN A 13 4.368 2.276 -5.917 1.00 0.00 C ATOM 202 O GLN A 13 5.051 3.252 -5.676 1.00 0.00 O ATOM 203 CB GLN A 13 5.732 0.169 -5.688 1.00 0.00 C ATOM 204 CG GLN A 13 6.079 0.636 -7.104 1.00 0.00 C ATOM 205 CD GLN A 13 7.046 -0.362 -7.743 1.00 0.00 C ATOM 206 OE1 GLN A 13 6.924 -0.683 -8.909 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.010 -0.869 -7.025 1.00 0.00 N ATOM 0 H GLN A 13 3.419 -0.745 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 13 4.738 1.216 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.597 0.291 -5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.488 -0.893 -5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.173 0.718 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.530 1.628 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.113 -0.600 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.661 -1.534 -7.442 1.00 0.00 H new ATOM 216 N GLU A 14 3.452 2.306 -6.847 1.00 0.00 N ATOM 217 CA GLU A 14 3.230 3.554 -7.633 1.00 0.00 C ATOM 218 C GLU A 14 2.496 4.571 -6.762 1.00 0.00 C ATOM 219 O GLU A 14 2.997 5.644 -6.491 1.00 0.00 O ATOM 220 CB GLU A 14 2.378 3.239 -8.858 1.00 0.00 C ATOM 221 CG GLU A 14 3.277 2.783 -10.009 1.00 0.00 C ATOM 222 CD GLU A 14 3.506 3.952 -10.969 1.00 0.00 C ATOM 223 OE1 GLU A 14 4.146 4.908 -10.565 1.00 0.00 O ATOM 224 OE2 GLU A 14 3.038 3.870 -12.092 1.00 0.00 O ATOM 0 H GLU A 14 2.849 1.522 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 14 4.190 3.961 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.654 2.460 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.811 4.121 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.230 2.425 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.815 1.949 -10.538 1.00 0.00 H new ATOM 231 N VAL A 15 1.315 4.241 -6.310 1.00 0.00 N ATOM 232 CA VAL A 15 0.569 5.195 -5.449 1.00 0.00 C ATOM 233 C VAL A 15 1.551 5.767 -4.433 1.00 0.00 C ATOM 234 O VAL A 15 1.536 6.943 -4.125 1.00 0.00 O ATOM 235 CB VAL A 15 -0.577 4.453 -4.739 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.654 3.020 -5.264 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.340 4.420 -3.225 1.00 0.00 C ATOM 0 H VAL A 15 0.840 3.358 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 15 0.136 6.002 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.511 4.978 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.465 2.492 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.840 3.035 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.288 2.509 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.160 3.891 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.598 3.906 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.289 5.439 -2.842 1.00 0.00 H new ATOM 247 N LEU A 16 2.418 4.937 -3.927 1.00 0.00 N ATOM 248 CA LEU A 16 3.427 5.409 -2.946 1.00 0.00 C ATOM 249 C LEU A 16 4.299 6.468 -3.622 1.00 0.00 C ATOM 250 O LEU A 16 4.702 7.438 -3.011 1.00 0.00 O ATOM 251 CB LEU A 16 4.280 4.213 -2.500 1.00 0.00 C ATOM 252 CG LEU A 16 5.714 4.655 -2.188 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.700 5.717 -1.085 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.519 3.441 -1.718 1.00 0.00 C ATOM 0 H LEU A 16 2.470 3.944 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 16 2.946 5.845 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.836 3.753 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.290 3.455 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 16 6.169 5.077 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.722 6.028 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.121 6.579 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.247 5.301 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.541 3.747 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.060 3.025 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.530 2.686 -2.504 1.00 0.00 H new ATOM 266 N LYS A 17 4.587 6.293 -4.885 1.00 0.00 N ATOM 267 CA LYS A 17 5.427 7.297 -5.599 1.00 0.00 C ATOM 268 C LYS A 17 4.571 8.507 -5.978 1.00 0.00 C ATOM 269 O LYS A 17 5.072 9.511 -6.443 1.00 0.00 O ATOM 270 CB LYS A 17 6.013 6.667 -6.867 1.00 0.00 C ATOM 271 CG LYS A 17 7.202 7.503 -7.347 1.00 0.00 C ATOM 272 CD LYS A 17 7.780 6.884 -8.622 1.00 0.00 C ATOM 273 CE LYS A 17 9.107 7.564 -8.966 1.00 0.00 C ATOM 274 NZ LYS A 17 9.611 7.041 -10.267 1.00 0.00 N ATOM 0 H LYS A 17 4.278 5.502 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 17 6.238 7.619 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.331 5.644 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.252 6.616 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.885 8.528 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.967 7.546 -6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.934 5.814 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.076 7.000 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.970 8.644 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.838 7.378 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.513 7.503 -10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.757 6.014 -10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.916 7.241 -11.014 1.00 0.00 H new ATOM 288 N HIS A 18 3.282 8.420 -5.792 1.00 0.00 N ATOM 289 CA HIS A 18 2.401 9.568 -6.150 1.00 0.00 C ATOM 290 C HIS A 18 2.038 10.358 -4.892 1.00 0.00 C ATOM 291 O HIS A 18 1.304 11.325 -4.946 1.00 0.00 O ATOM 292 CB HIS A 18 1.130 9.044 -6.813 1.00 0.00 C ATOM 293 CG HIS A 18 1.388 8.823 -8.279 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.254 9.839 -9.216 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.779 7.710 -8.983 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.561 9.322 -10.421 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.886 8.031 -10.332 1.00 0.00 N ATOM 0 H HIS A 18 2.802 7.606 -5.409 1.00 0.00 H new ATOM 0 HA HIS A 18 2.928 10.225 -6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.819 8.112 -6.342 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.316 9.756 -6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.973 6.737 -8.556 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.546 9.882 -11.344 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.156 7.409 -11.094 1.00 0.00 H new ATOM 306 N VAL A 19 2.546 9.958 -3.757 1.00 0.00 N ATOM 307 CA VAL A 19 2.227 10.694 -2.501 1.00 0.00 C ATOM 308 C VAL A 19 3.375 11.645 -2.166 1.00 0.00 C ATOM 309 O VAL A 19 3.171 12.814 -1.909 1.00 0.00 O ATOM 310 CB VAL A 19 2.042 9.700 -1.355 1.00 0.00 C ATOM 311 CG1 VAL A 19 0.863 10.141 -0.485 1.00 0.00 C ATOM 312 CG2 VAL A 19 1.760 8.309 -1.926 1.00 0.00 C ATOM 0 H VAL A 19 3.166 9.156 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 19 1.307 11.262 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 19 2.949 9.668 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.730 9.433 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.062 11.132 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.044 10.172 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.628 7.600 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.853 8.340 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.598 7.994 -2.548 1.00 0.00 H new ATOM 322 N ASN A 20 4.584 11.153 -2.166 1.00 0.00 N ATOM 323 CA ASN A 20 5.742 12.031 -1.848 1.00 0.00 C ATOM 324 C ASN A 20 5.625 13.331 -2.648 1.00 0.00 C ATOM 325 O ASN A 20 5.996 14.391 -2.186 1.00 0.00 O ATOM 326 CB ASN A 20 7.041 11.317 -2.222 1.00 0.00 C ATOM 327 CG ASN A 20 6.969 10.866 -3.681 1.00 0.00 C ATOM 328 OD1 ASN A 20 6.425 9.717 -3.968 1.00 0.00 O flip ATOM 329 ND2 ASN A 20 7.412 11.568 -4.568 1.00 0.00 N flip ATOM 0 H ASN A 20 4.818 10.182 -2.372 1.00 0.00 H new ATOM 0 HA ASN A 20 5.748 12.257 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.891 11.984 -2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.197 10.457 -1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.838 12.467 -4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.358 11.258 -5.538 1.00 0.00 H new ATOM 336 N GLN A 21 5.113 13.256 -3.847 1.00 0.00 N ATOM 337 CA GLN A 21 4.973 14.488 -4.677 1.00 0.00 C ATOM 338 C GLN A 21 3.617 15.142 -4.402 1.00 0.00 C ATOM 339 O GLN A 21 3.322 16.212 -4.899 1.00 0.00 O ATOM 340 CB GLN A 21 5.064 14.117 -6.158 1.00 0.00 C ATOM 341 CG GLN A 21 6.442 14.503 -6.699 1.00 0.00 C ATOM 342 CD GLN A 21 6.525 14.133 -8.181 1.00 0.00 C ATOM 343 OE1 GLN A 21 5.689 13.412 -8.688 1.00 0.00 O ATOM 344 NE2 GLN A 21 7.506 14.601 -8.904 1.00 0.00 N ATOM 0 H GLN A 21 4.786 12.396 -4.288 1.00 0.00 H new ATOM 0 HA GLN A 21 5.771 15.186 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.898 13.047 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.284 14.630 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.610 15.572 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.223 13.988 -6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.209 15.206 -8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.570 14.361 -9.893 1.00 0.00 H new ATOM 353 N HIS A 22 2.789 14.508 -3.620 1.00 0.00 N ATOM 354 CA HIS A 22 1.452 15.093 -3.320 1.00 0.00 C ATOM 355 C HIS A 22 1.171 14.990 -1.823 1.00 0.00 C ATOM 356 O HIS A 22 0.037 15.063 -1.391 1.00 0.00 O ATOM 357 CB HIS A 22 0.378 14.325 -4.089 1.00 0.00 C ATOM 358 CG HIS A 22 0.383 14.762 -5.528 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.207 15.948 -5.943 1.00 0.00 N ATOM 360 CD2 HIS A 22 0.902 14.184 -6.660 1.00 0.00 C ATOM 361 CE1 HIS A 22 -0.029 16.044 -7.274 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.639 14.996 -7.757 1.00 0.00 N ATOM 0 H HIS A 22 2.980 13.610 -3.175 1.00 0.00 H new ATOM 0 HA HIS A 22 1.441 16.141 -3.620 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.564 13.253 -4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.601 14.506 -3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.433 13.244 -6.693 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.383 16.868 -7.876 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.902 14.826 -8.728 1.00 0.00 H new ATOM 371 N TRP A 23 2.186 14.821 -1.024 1.00 0.00 N ATOM 372 CA TRP A 23 1.955 14.717 0.439 1.00 0.00 C ATOM 373 C TRP A 23 1.811 16.114 1.029 1.00 0.00 C ATOM 374 O TRP A 23 2.345 17.077 0.517 1.00 0.00 O ATOM 375 CB TRP A 23 3.133 14.014 1.106 1.00 0.00 C ATOM 376 CG TRP A 23 2.690 13.476 2.426 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.485 14.209 3.540 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.390 12.103 2.782 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.082 13.365 4.562 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.012 12.054 4.140 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.414 10.908 2.057 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.669 10.853 4.761 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.071 9.694 2.672 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.700 9.667 4.024 1.00 0.00 C ATOM 0 H TRP A 23 3.160 14.751 -1.320 1.00 0.00 H new ATOM 0 HA TRP A 23 1.045 14.143 0.614 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.497 13.205 0.472 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.960 14.711 1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.614 15.278 3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.864 13.675 5.509 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.699 10.919 1.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.382 10.840 5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.093 8.777 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.439 8.731 4.495 1.00 0.00 H new ATOM 395 N GLN A 24 1.093 16.230 2.106 1.00 0.00 N ATOM 396 CA GLN A 24 0.917 17.570 2.731 1.00 0.00 C ATOM 397 C GLN A 24 0.687 17.419 4.236 1.00 0.00 C ATOM 398 O GLN A 24 1.049 16.425 4.833 1.00 0.00 O ATOM 399 CB GLN A 24 -0.280 18.280 2.098 1.00 0.00 C ATOM 400 CG GLN A 24 0.123 19.704 1.709 1.00 0.00 C ATOM 401 CD GLN A 24 -1.023 20.370 0.947 1.00 0.00 C ATOM 402 OE1 GLN A 24 -1.439 19.892 -0.089 1.00 0.00 O ATOM 403 NE2 GLN A 24 -1.555 21.464 1.420 1.00 0.00 N ATOM 0 H GLN A 24 0.621 15.460 2.581 1.00 0.00 H new ATOM 0 HA GLN A 24 1.818 18.161 2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.618 17.733 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.115 18.305 2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.364 20.281 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.021 19.683 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.206 21.866 2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.320 21.917 0.920 1.00 0.00 H new ATOM 412 N GLY A 25 0.089 18.401 4.853 1.00 0.00 N ATOM 413 CA GLY A 25 -0.162 18.320 6.319 1.00 0.00 C ATOM 414 C GLY A 25 1.175 18.214 7.055 1.00 0.00 C ATOM 415 O GLY A 25 1.761 19.205 7.445 1.00 0.00 O ATOM 0 H GLY A 25 -0.237 19.257 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.707 19.202 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.785 17.455 6.546 1.00 0.00 H new ATOM 419 N GLY A 26 1.664 17.019 7.244 1.00 0.00 N ATOM 420 CA GLY A 26 2.966 16.847 7.949 1.00 0.00 C ATOM 421 C GLY A 26 3.940 16.105 7.034 1.00 0.00 C ATOM 422 O GLY A 26 3.933 14.892 6.958 1.00 0.00 O ATOM 0 H GLY A 26 1.218 16.153 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.375 17.819 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.821 16.289 8.874 1.00 0.00 H new ATOM 426 N GLN A 27 4.779 16.822 6.337 1.00 0.00 N ATOM 427 CA GLN A 27 5.750 16.153 5.426 1.00 0.00 C ATOM 428 C GLN A 27 6.655 15.223 6.236 1.00 0.00 C ATOM 429 O GLN A 27 7.509 14.547 5.697 1.00 0.00 O ATOM 430 CB GLN A 27 6.598 17.211 4.716 1.00 0.00 C ATOM 431 CG GLN A 27 7.798 17.575 5.590 1.00 0.00 C ATOM 432 CD GLN A 27 8.361 18.926 5.145 1.00 0.00 C ATOM 433 OE1 GLN A 27 7.753 19.619 4.352 1.00 0.00 O ATOM 434 NE2 GLN A 27 9.503 19.335 5.625 1.00 0.00 N ATOM 0 H GLN A 27 4.834 17.840 6.359 1.00 0.00 H new ATOM 0 HA GLN A 27 5.208 15.569 4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.938 16.832 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.998 18.099 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.498 17.621 6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.566 16.805 5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.014 18.755 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.885 20.235 5.335 1.00 0.00 H new ATOM 443 N LYS A 28 6.474 15.182 7.528 1.00 0.00 N ATOM 444 CA LYS A 28 7.323 14.294 8.371 1.00 0.00 C ATOM 445 C LYS A 28 6.712 12.891 8.413 1.00 0.00 C ATOM 446 O LYS A 28 7.349 11.939 8.818 1.00 0.00 O ATOM 447 CB LYS A 28 7.394 14.859 9.793 1.00 0.00 C ATOM 448 CG LYS A 28 5.985 15.223 10.267 1.00 0.00 C ATOM 449 CD LYS A 28 5.933 15.198 11.796 1.00 0.00 C ATOM 450 CE LYS A 28 5.771 13.756 12.279 1.00 0.00 C ATOM 451 NZ LYS A 28 6.728 13.495 13.392 1.00 0.00 N ATOM 0 H LYS A 28 5.775 15.725 8.036 1.00 0.00 H new ATOM 0 HA LYS A 28 8.326 14.241 7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.838 14.125 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.036 15.740 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.712 16.212 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.260 14.520 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.845 15.630 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.102 15.807 12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.749 13.587 12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.954 13.063 11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.619 12.515 13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.701 13.640 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.533 14.148 14.178 1.00 0.00 H new ATOM 465 N ASN A 29 5.482 12.755 7.997 1.00 0.00 N ATOM 466 CA ASN A 29 4.835 11.413 8.016 1.00 0.00 C ATOM 467 C ASN A 29 5.167 10.666 6.722 1.00 0.00 C ATOM 468 O ASN A 29 5.339 9.463 6.716 1.00 0.00 O ATOM 469 CB ASN A 29 3.318 11.581 8.131 1.00 0.00 C ATOM 470 CG ASN A 29 2.998 12.581 9.244 1.00 0.00 C ATOM 471 OD1 ASN A 29 2.459 13.730 8.937 1.00 0.00 O flip ATOM 472 ND2 ASN A 29 3.239 12.314 10.403 1.00 0.00 N flip ATOM 0 H ASN A 29 4.898 13.514 7.645 1.00 0.00 H new ATOM 0 HA ASN A 29 5.205 10.844 8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.907 11.931 7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.850 10.620 8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.660 11.416 10.643 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.020 12.987 11.138 1.00 0.00 H new ATOM 479 N MET A 30 5.257 11.369 5.627 1.00 0.00 N ATOM 480 CA MET A 30 5.575 10.699 4.335 1.00 0.00 C ATOM 481 C MET A 30 6.732 9.716 4.537 1.00 0.00 C ATOM 482 O MET A 30 6.702 8.600 4.057 1.00 0.00 O ATOM 483 CB MET A 30 5.978 11.753 3.299 1.00 0.00 C ATOM 484 CG MET A 30 6.241 11.072 1.954 1.00 0.00 C ATOM 485 SD MET A 30 7.671 11.844 1.158 1.00 0.00 S ATOM 486 CE MET A 30 8.554 10.319 0.748 1.00 0.00 C ATOM 0 H MET A 30 5.124 12.379 5.571 1.00 0.00 H new ATOM 0 HA MET A 30 4.697 10.158 3.983 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.187 12.496 3.194 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.871 12.282 3.631 1.00 0.00 H new ATOM 0 HG2 MET A 30 6.424 10.008 2.103 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.364 11.158 1.313 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.263 10.514 -0.057 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.092 9.962 1.627 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.840 9.560 0.427 1.00 0.00 H new ATOM 496 N ASN A 31 7.750 10.122 5.244 1.00 0.00 N ATOM 497 CA ASN A 31 8.906 9.210 5.477 1.00 0.00 C ATOM 498 C ASN A 31 8.507 8.127 6.479 1.00 0.00 C ATOM 499 O ASN A 31 8.882 6.978 6.349 1.00 0.00 O ATOM 500 CB ASN A 31 10.083 10.011 6.037 1.00 0.00 C ATOM 501 CG ASN A 31 10.531 11.050 5.009 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.630 11.696 4.318 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 11.710 11.276 4.830 1.00 0.00 N flip ATOM 0 H ASN A 31 7.832 11.045 5.670 1.00 0.00 H new ATOM 0 HA ASN A 31 9.197 8.745 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.792 10.504 6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.910 9.342 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.414 10.772 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.997 11.970 4.140 1.00 0.00 H new ATOM 510 N LYS A 32 7.749 8.483 7.479 1.00 0.00 N ATOM 511 CA LYS A 32 7.325 7.473 8.490 1.00 0.00 C ATOM 512 C LYS A 32 6.483 6.392 7.808 1.00 0.00 C ATOM 513 O LYS A 32 6.796 5.220 7.867 1.00 0.00 O ATOM 514 CB LYS A 32 6.497 8.158 9.579 1.00 0.00 C ATOM 515 CG LYS A 32 7.327 9.268 10.229 1.00 0.00 C ATOM 516 CD LYS A 32 8.119 8.693 11.404 1.00 0.00 C ATOM 517 CE LYS A 32 7.248 8.700 12.661 1.00 0.00 C ATOM 518 NZ LYS A 32 8.004 8.099 13.794 1.00 0.00 N ATOM 0 H LYS A 32 7.405 9.430 7.640 1.00 0.00 H new ATOM 0 HA LYS A 32 8.206 7.015 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.586 8.575 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.192 7.430 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.007 9.704 9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.674 10.070 10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.440 7.676 11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.021 9.282 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.954 9.721 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.331 8.138 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.411 8.104 14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.263 7.120 13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.867 8.653 13.968 1.00 0.00 H new ATOM 532 N VAL A 33 5.417 6.777 7.159 1.00 0.00 N ATOM 533 CA VAL A 33 4.561 5.770 6.474 1.00 0.00 C ATOM 534 C VAL A 33 5.375 5.068 5.386 1.00 0.00 C ATOM 535 O VAL A 33 5.280 3.871 5.200 1.00 0.00 O ATOM 536 CB VAL A 33 3.360 6.472 5.836 1.00 0.00 C ATOM 537 CG1 VAL A 33 2.333 6.813 6.916 1.00 0.00 C ATOM 538 CG2 VAL A 33 3.829 7.758 5.148 1.00 0.00 C ATOM 0 H VAL A 33 5.104 7.744 7.074 1.00 0.00 H new ATOM 0 HA VAL A 33 4.211 5.036 7.199 1.00 0.00 H new ATOM 0 HB VAL A 33 2.902 5.812 5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.478 7.313 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.000 5.897 7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.788 7.473 7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.975 8.259 4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.287 8.418 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.559 7.513 4.377 1.00 0.00 H new ATOM 548 N ASP A 34 6.179 5.804 4.667 1.00 0.00 N ATOM 549 CA ASP A 34 7.000 5.177 3.594 1.00 0.00 C ATOM 550 C ASP A 34 7.591 3.865 4.109 1.00 0.00 C ATOM 551 O ASP A 34 7.521 2.844 3.457 1.00 0.00 O ATOM 552 CB ASP A 34 8.134 6.127 3.198 1.00 0.00 C ATOM 553 CG ASP A 34 9.224 5.341 2.468 1.00 0.00 C ATOM 554 OD1 ASP A 34 8.919 4.754 1.443 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.346 5.339 2.947 1.00 0.00 O ATOM 0 H ASP A 34 6.302 6.811 4.777 1.00 0.00 H new ATOM 0 HA ASP A 34 6.373 4.978 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.751 6.921 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.548 6.606 4.085 1.00 0.00 H new ATOM 560 N HIS A 35 8.173 3.884 5.277 1.00 0.00 N ATOM 561 CA HIS A 35 8.765 2.635 5.831 1.00 0.00 C ATOM 562 C HIS A 35 7.676 1.567 5.939 1.00 0.00 C ATOM 563 O HIS A 35 7.847 0.447 5.500 1.00 0.00 O ATOM 564 CB HIS A 35 9.348 2.912 7.217 1.00 0.00 C ATOM 565 CG HIS A 35 10.352 1.845 7.556 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.726 0.866 6.645 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.071 1.588 8.699 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.629 0.073 7.250 1.00 0.00 C ATOM 569 NE2 HIS A 35 11.873 0.471 8.500 1.00 0.00 N ATOM 0 H HIS A 35 8.264 4.709 5.870 1.00 0.00 H new ATOM 0 HA HIS A 35 9.559 2.285 5.171 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.823 3.893 7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.553 2.929 7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.020 2.165 9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.098 -0.780 6.782 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.514 0.045 9.169 1.00 0.00 H new ATOM 578 N HIS A 36 6.555 1.903 6.518 1.00 0.00 N ATOM 579 CA HIS A 36 5.457 0.904 6.647 1.00 0.00 C ATOM 580 C HIS A 36 5.129 0.343 5.264 1.00 0.00 C ATOM 581 O HIS A 36 5.224 -0.846 5.029 1.00 0.00 O ATOM 582 CB HIS A 36 4.217 1.581 7.239 1.00 0.00 C ATOM 583 CG HIS A 36 4.129 1.286 8.714 1.00 0.00 C ATOM 584 ND1 HIS A 36 5.076 0.517 9.378 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.211 1.654 9.668 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.710 0.447 10.670 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.582 1.122 10.898 1.00 0.00 N ATOM 0 H HIS A 36 6.353 2.824 6.906 1.00 0.00 H new ATOM 0 HA HIS A 36 5.769 0.093 7.305 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.267 2.658 7.077 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.320 1.224 6.733 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.337 2.262 9.490 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.261 -0.089 11.429 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.094 1.226 11.788 1.00 0.00 H new ATOM 596 N LEU A 37 4.753 1.188 4.345 1.00 0.00 N ATOM 597 CA LEU A 37 4.430 0.703 2.973 1.00 0.00 C ATOM 598 C LEU A 37 5.638 -0.051 2.415 1.00 0.00 C ATOM 599 O LEU A 37 5.556 -1.217 2.083 1.00 0.00 O ATOM 600 CB LEU A 37 4.111 1.899 2.074 1.00 0.00 C ATOM 601 CG LEU A 37 2.792 1.656 1.339 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.308 2.969 0.720 1.00 0.00 C ATOM 603 CD2 LEU A 37 3.008 0.620 0.231 1.00 0.00 C ATOM 0 H LEU A 37 4.655 2.194 4.484 1.00 0.00 H new ATOM 0 HA LEU A 37 3.567 0.039 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.043 2.808 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.916 2.050 1.355 1.00 0.00 H new ATOM 0 HG LEU A 37 2.046 1.286 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.368 2.799 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.156 3.708 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.055 3.337 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.068 0.446 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.753 0.990 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.357 -0.315 0.670 1.00 0.00 H new ATOM 615 N GLN A 38 6.765 0.602 2.317 1.00 0.00 N ATOM 616 CA GLN A 38 7.976 -0.086 1.791 1.00 0.00 C ATOM 617 C GLN A 38 8.085 -1.461 2.448 1.00 0.00 C ATOM 618 O GLN A 38 8.593 -2.401 1.869 1.00 0.00 O ATOM 619 CB GLN A 38 9.220 0.741 2.122 1.00 0.00 C ATOM 620 CG GLN A 38 10.387 0.289 1.241 1.00 0.00 C ATOM 621 CD GLN A 38 11.708 0.596 1.947 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.604 -0.224 1.967 1.00 0.00 O ATOM 623 NE2 GLN A 38 11.868 1.752 2.531 1.00 0.00 N ATOM 0 H GLN A 38 6.898 1.579 2.578 1.00 0.00 H new ATOM 0 HA GLN A 38 7.899 -0.197 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.018 1.800 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.478 0.622 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.311 -0.779 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.349 0.800 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.116 2.440 2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.746 1.967 3.004 1.00 0.00 H new ATOM 632 N ASN A 39 7.604 -1.584 3.655 1.00 0.00 N ATOM 633 CA ASN A 39 7.669 -2.896 4.356 1.00 0.00 C ATOM 634 C ASN A 39 6.571 -3.810 3.809 1.00 0.00 C ATOM 635 O ASN A 39 6.711 -5.017 3.781 1.00 0.00 O ATOM 636 CB ASN A 39 7.461 -2.685 5.856 1.00 0.00 C ATOM 637 CG ASN A 39 7.869 -3.952 6.609 1.00 0.00 C ATOM 638 OD1 ASN A 39 7.828 -5.036 6.064 1.00 0.00 O ATOM 639 ND2 ASN A 39 8.264 -3.861 7.849 1.00 0.00 N ATOM 0 H ASN A 39 7.168 -0.830 4.186 1.00 0.00 H new ATOM 0 HA ASN A 39 8.644 -3.354 4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.053 -1.837 6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.417 -2.448 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.538 -4.700 8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.299 -2.951 8.308 1.00 0.00 H new ATOM 646 N VAL A 40 5.478 -3.244 3.371 1.00 0.00 N ATOM 647 CA VAL A 40 4.376 -4.081 2.823 1.00 0.00 C ATOM 648 C VAL A 40 4.736 -4.527 1.406 1.00 0.00 C ATOM 649 O VAL A 40 4.781 -5.703 1.109 1.00 0.00 O ATOM 650 CB VAL A 40 3.082 -3.273 2.781 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.940 -4.158 2.273 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.750 -2.773 4.188 1.00 0.00 C ATOM 0 H VAL A 40 5.303 -2.239 3.370 1.00 0.00 H new ATOM 0 HA VAL A 40 4.236 -4.953 3.462 1.00 0.00 H new ATOM 0 HB VAL A 40 3.207 -2.423 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.017 -3.579 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.176 -4.516 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.814 -5.009 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.826 -2.196 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.626 -3.625 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.561 -2.142 4.551 1.00 0.00 H new ATOM 662 N ILE A 41 4.996 -3.596 0.527 1.00 0.00 N ATOM 663 CA ILE A 41 5.354 -3.978 -0.865 1.00 0.00 C ATOM 664 C ILE A 41 6.367 -5.120 -0.819 1.00 0.00 C ATOM 665 O ILE A 41 6.304 -6.051 -1.598 1.00 0.00 O ATOM 666 CB ILE A 41 5.955 -2.780 -1.598 1.00 0.00 C ATOM 667 CG1 ILE A 41 4.852 -1.764 -1.899 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.571 -3.254 -2.912 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.465 -0.383 -2.115 1.00 0.00 C ATOM 0 H ILE A 41 4.976 -2.593 0.714 1.00 0.00 H new ATOM 0 HA ILE A 41 4.459 -4.300 -1.398 1.00 0.00 H new ATOM 0 HB ILE A 41 6.721 -2.316 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.297 -2.068 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.140 -1.731 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.002 -2.403 -3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.352 -3.986 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.800 -3.712 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.675 0.336 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.000 -0.078 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.159 -0.420 -2.955 1.00 0.00 H new ATOM 681 N GLU A 42 7.294 -5.067 0.098 1.00 0.00 N ATOM 682 CA GLU A 42 8.295 -6.163 0.199 1.00 0.00 C ATOM 683 C GLU A 42 7.553 -7.478 0.425 1.00 0.00 C ATOM 684 O GLU A 42 8.003 -8.535 0.030 1.00 0.00 O ATOM 685 CB GLU A 42 9.233 -5.897 1.378 1.00 0.00 C ATOM 686 CG GLU A 42 10.685 -6.071 0.927 1.00 0.00 C ATOM 687 CD GLU A 42 11.589 -6.184 2.156 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.395 -7.108 2.928 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.461 -5.342 2.305 1.00 0.00 O ATOM 0 H GLU A 42 7.400 -4.315 0.779 1.00 0.00 H new ATOM 0 HA GLU A 42 8.883 -6.216 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.078 -4.887 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.010 -6.583 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.781 -6.963 0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.991 -5.223 0.314 1.00 0.00 H new ATOM 696 N ASP A 43 6.409 -7.415 1.050 1.00 0.00 N ATOM 697 CA ASP A 43 5.626 -8.657 1.295 1.00 0.00 C ATOM 698 C ASP A 43 5.053 -9.150 -0.033 1.00 0.00 C ATOM 699 O ASP A 43 5.125 -10.319 -0.358 1.00 0.00 O ATOM 700 CB ASP A 43 4.483 -8.354 2.264 1.00 0.00 C ATOM 701 CG ASP A 43 3.759 -9.654 2.620 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.006 -10.136 1.790 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.970 -10.146 3.716 1.00 0.00 O ATOM 0 H ASP A 43 5.984 -6.557 1.401 1.00 0.00 H new ATOM 0 HA ASP A 43 6.270 -9.423 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.872 -7.883 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.786 -7.649 1.812 1.00 0.00 H new ATOM 708 N ILE A 44 4.494 -8.263 -0.811 1.00 0.00 N ATOM 709 CA ILE A 44 3.927 -8.674 -2.124 1.00 0.00 C ATOM 710 C ILE A 44 5.020 -9.351 -2.945 1.00 0.00 C ATOM 711 O ILE A 44 4.848 -10.444 -3.445 1.00 0.00 O ATOM 712 CB ILE A 44 3.432 -7.438 -2.869 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.139 -6.936 -2.220 1.00 0.00 C ATOM 714 CG2 ILE A 44 3.162 -7.800 -4.331 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.195 -5.415 -2.041 1.00 0.00 C ATOM 0 H ILE A 44 4.406 -7.271 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 44 3.097 -9.364 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 44 4.190 -6.656 -2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.284 -7.206 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.997 -7.419 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.808 -6.918 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.082 -8.159 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.403 -8.581 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.271 -5.069 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.039 -5.155 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.315 -4.938 -3.014 1.00 0.00 H new ATOM 727 N HIS A 45 6.151 -8.713 -3.079 1.00 0.00 N ATOM 728 CA HIS A 45 7.256 -9.333 -3.856 1.00 0.00 C ATOM 729 C HIS A 45 7.498 -10.737 -3.308 1.00 0.00 C ATOM 730 O HIS A 45 7.912 -11.633 -4.016 1.00 0.00 O ATOM 731 CB HIS A 45 8.528 -8.494 -3.704 1.00 0.00 C ATOM 732 CG HIS A 45 9.461 -8.782 -4.849 1.00 0.00 C ATOM 733 ND1 HIS A 45 10.310 -9.880 -4.854 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.690 -8.125 -6.035 1.00 0.00 C ATOM 735 CE1 HIS A 45 11.005 -9.852 -6.007 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.664 -8.805 -6.759 1.00 0.00 N ATOM 0 H HIS A 45 6.355 -7.794 -2.686 1.00 0.00 H new ATOM 0 HA HIS A 45 6.991 -9.382 -4.912 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.276 -7.434 -3.684 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.016 -8.723 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.191 -7.222 -6.355 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.746 -10.586 -6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 45 11.039 -8.555 -7.674 1.00 0.00 H new ATOM 745 N ASP A 46 7.231 -10.933 -2.044 1.00 0.00 N ATOM 746 CA ASP A 46 7.431 -12.277 -1.438 1.00 0.00 C ATOM 747 C ASP A 46 6.186 -13.133 -1.679 1.00 0.00 C ATOM 748 O ASP A 46 6.150 -14.300 -1.343 1.00 0.00 O ATOM 749 CB ASP A 46 7.662 -12.130 0.069 1.00 0.00 C ATOM 750 CG ASP A 46 9.141 -12.365 0.384 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.950 -12.210 -0.515 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.438 -12.694 1.521 1.00 0.00 O ATOM 0 H ASP A 46 6.883 -10.218 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 46 8.298 -12.755 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.363 -11.135 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.045 -12.845 0.614 1.00 0.00 H new ATOM 757 N PHE A 47 5.161 -12.564 -2.259 1.00 0.00 N ATOM 758 CA PHE A 47 3.923 -13.352 -2.514 1.00 0.00 C ATOM 759 C PHE A 47 4.066 -14.110 -3.836 1.00 0.00 C ATOM 760 O PHE A 47 3.424 -15.116 -4.058 1.00 0.00 O ATOM 761 CB PHE A 47 2.723 -12.404 -2.586 1.00 0.00 C ATOM 762 CG PHE A 47 1.449 -13.210 -2.690 1.00 0.00 C ATOM 763 CD1 PHE A 47 1.095 -13.815 -3.902 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.624 -13.360 -1.568 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.081 -14.568 -3.992 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.553 -14.111 -1.660 1.00 0.00 C ATOM 767 CZ PHE A 47 -0.905 -14.717 -2.871 1.00 0.00 C ATOM 0 H PHE A 47 5.129 -11.592 -2.565 1.00 0.00 H new ATOM 0 HA PHE A 47 3.769 -14.066 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.693 -11.770 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.819 -11.743 -3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.730 -13.700 -4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.896 -12.896 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.353 -15.034 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.190 -14.223 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.812 -15.299 -2.940 1.00 0.00 H new ATOM 777 N MET A 48 4.913 -13.640 -4.714 1.00 0.00 N ATOM 778 CA MET A 48 5.104 -14.341 -6.016 1.00 0.00 C ATOM 779 C MET A 48 6.124 -15.466 -5.836 1.00 0.00 C ATOM 780 O MET A 48 6.394 -16.227 -6.744 1.00 0.00 O ATOM 781 CB MET A 48 5.616 -13.347 -7.064 1.00 0.00 C ATOM 782 CG MET A 48 5.528 -11.924 -6.508 1.00 0.00 C ATOM 783 SD MET A 48 5.783 -10.736 -7.850 1.00 0.00 S ATOM 784 CE MET A 48 7.566 -10.987 -8.041 1.00 0.00 C ATOM 0 H MET A 48 5.480 -12.802 -4.585 1.00 0.00 H new ATOM 0 HA MET A 48 4.154 -14.758 -6.350 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.647 -13.581 -7.329 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.026 -13.429 -7.977 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.555 -11.762 -6.045 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.279 -11.778 -5.731 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.987 -10.172 -8.629 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.038 -11.007 -7.059 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.748 -11.933 -8.550 1.00 0.00 H new ATOM 794 N GLN A 49 6.692 -15.577 -4.666 1.00 0.00 N ATOM 795 CA GLN A 49 7.696 -16.650 -4.417 1.00 0.00 C ATOM 796 C GLN A 49 7.254 -17.487 -3.217 1.00 0.00 C ATOM 797 O GLN A 49 7.400 -18.694 -3.201 1.00 0.00 O ATOM 798 CB GLN A 49 9.055 -16.014 -4.124 1.00 0.00 C ATOM 799 CG GLN A 49 8.894 -14.938 -3.049 1.00 0.00 C ATOM 800 CD GLN A 49 9.100 -15.562 -1.668 1.00 0.00 C ATOM 801 OE1 GLN A 49 8.416 -15.109 -0.652 1.00 0.00 O flip ATOM 802 NE2 GLN A 49 9.891 -16.471 -1.510 1.00 0.00 N flip ATOM 0 H GLN A 49 6.503 -14.969 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 49 7.776 -17.289 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.760 -16.775 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.467 -15.576 -5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.616 -14.138 -3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.902 -14.490 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.426 -16.825 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.020 -16.880 -0.584 1.00 0.00 H new ATOM 811 N GLY A 50 6.708 -16.857 -2.213 1.00 0.00 N ATOM 812 CA GLY A 50 6.249 -17.619 -1.018 1.00 0.00 C ATOM 813 C GLY A 50 5.325 -18.751 -1.466 1.00 0.00 C ATOM 814 O GLY A 50 4.834 -19.521 -0.663 1.00 0.00 O ATOM 0 H GLY A 50 6.560 -15.849 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.106 -18.025 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.724 -16.957 -0.329 1.00 0.00 H new ATOM 818 N GLY A 51 5.083 -18.860 -2.744 1.00 0.00 N ATOM 819 CA GLY A 51 4.191 -19.942 -3.246 1.00 0.00 C ATOM 820 C GLY A 51 2.731 -19.554 -3.011 1.00 0.00 C ATOM 821 O GLY A 51 1.893 -19.693 -3.879 1.00 0.00 O ATOM 0 H GLY A 51 5.465 -18.245 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.367 -20.108 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.416 -20.878 -2.735 1.00 0.00 H new ATOM 825 N GLY A 52 2.418 -19.069 -1.840 1.00 0.00 N ATOM 826 CA GLY A 52 1.010 -18.674 -1.550 1.00 0.00 C ATOM 827 C GLY A 52 0.779 -18.703 -0.040 1.00 0.00 C ATOM 828 O GLY A 52 -0.190 -19.256 0.440 1.00 0.00 O ATOM 0 H GLY A 52 3.075 -18.929 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.812 -17.676 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.319 -19.354 -2.048 1.00 0.00 H new ATOM 832 N SER A 53 1.666 -18.114 0.711 1.00 0.00 N ATOM 833 CA SER A 53 1.504 -18.108 2.191 1.00 0.00 C ATOM 834 C SER A 53 0.420 -17.103 2.585 1.00 0.00 C ATOM 835 O SER A 53 0.705 -16.031 3.080 1.00 0.00 O ATOM 836 CB SER A 53 2.828 -17.710 2.844 1.00 0.00 C ATOM 837 OG SER A 53 3.903 -18.110 2.004 1.00 0.00 O ATOM 0 H SER A 53 2.497 -17.636 0.364 1.00 0.00 H new ATOM 0 HA SER A 53 1.214 -19.103 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.858 -16.632 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.921 -18.181 3.822 1.00 0.00 H new ATOM 0 HG SER A 53 4.754 -17.855 2.418 1.00 0.00 H new ATOM 843 N GLY A 54 -0.822 -17.440 2.371 1.00 0.00 N ATOM 844 CA GLY A 54 -1.920 -16.504 2.739 1.00 0.00 C ATOM 845 C GLY A 54 -1.729 -16.044 4.184 1.00 0.00 C ATOM 846 O GLY A 54 -2.380 -15.129 4.647 1.00 0.00 O ATOM 0 H GLY A 54 -1.123 -18.322 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.920 -15.644 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.886 -16.996 2.627 1.00 0.00 H new ATOM 850 N GLY A 55 -0.835 -16.671 4.900 1.00 0.00 N ATOM 851 CA GLY A 55 -0.598 -16.270 6.315 1.00 0.00 C ATOM 852 C GLY A 55 0.449 -15.156 6.359 1.00 0.00 C ATOM 853 O GLY A 55 0.481 -14.356 7.272 1.00 0.00 O ATOM 0 H GLY A 55 -0.259 -17.443 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.528 -15.928 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.257 -17.127 6.895 1.00 0.00 H new ATOM 857 N LYS A 56 1.304 -15.096 5.375 1.00 0.00 N ATOM 858 CA LYS A 56 2.346 -14.032 5.359 1.00 0.00 C ATOM 859 C LYS A 56 1.712 -12.711 4.923 1.00 0.00 C ATOM 860 O LYS A 56 2.179 -11.643 5.266 1.00 0.00 O ATOM 861 CB LYS A 56 3.454 -14.416 4.377 1.00 0.00 C ATOM 862 CG LYS A 56 4.644 -13.468 4.551 1.00 0.00 C ATOM 863 CD LYS A 56 5.459 -13.876 5.784 1.00 0.00 C ATOM 864 CE LYS A 56 6.931 -14.029 5.395 1.00 0.00 C ATOM 865 NZ LYS A 56 7.098 -15.242 4.547 1.00 0.00 N ATOM 0 H LYS A 56 1.326 -15.737 4.582 1.00 0.00 H new ATOM 0 HA LYS A 56 2.771 -13.922 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.767 -15.445 4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.081 -14.365 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.274 -13.495 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.291 -12.443 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.355 -13.125 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.080 -14.814 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.269 -13.145 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.548 -14.110 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.097 -15.531 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.514 -16.014 4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.800 -15.029 3.574 1.00 0.00 H new ATOM 879 N LEU A 57 0.650 -12.775 4.168 1.00 0.00 N ATOM 880 CA LEU A 57 -0.013 -11.522 3.712 1.00 0.00 C ATOM 881 C LEU A 57 -0.722 -10.864 4.895 1.00 0.00 C ATOM 882 O LEU A 57 -0.440 -9.740 5.252 1.00 0.00 O ATOM 883 CB LEU A 57 -1.032 -11.846 2.622 1.00 0.00 C ATOM 884 CG LEU A 57 -1.353 -10.572 1.843 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.305 -10.902 0.697 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.011 -9.555 2.777 1.00 0.00 C ATOM 0 H LEU A 57 0.214 -13.640 3.848 1.00 0.00 H new ATOM 0 HA LEU A 57 0.737 -10.841 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.635 -12.607 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.940 -12.254 3.066 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.432 -10.151 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.534 -9.993 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.836 -11.626 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.226 -11.323 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.240 -8.646 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.932 -9.975 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.330 -9.319 3.595 1.00 0.00 H new ATOM 898 N GLN A 58 -1.636 -11.552 5.516 1.00 0.00 N ATOM 899 CA GLN A 58 -2.339 -10.946 6.678 1.00 0.00 C ATOM 900 C GLN A 58 -1.290 -10.365 7.629 1.00 0.00 C ATOM 901 O GLN A 58 -1.609 -9.698 8.593 1.00 0.00 O ATOM 902 CB GLN A 58 -3.167 -12.016 7.394 1.00 0.00 C ATOM 903 CG GLN A 58 -4.097 -12.700 6.388 1.00 0.00 C ATOM 904 CD GLN A 58 -4.667 -11.657 5.421 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.273 -11.652 4.176 1.00 0.00 O flip ATOM 906 NE2 GLN A 58 -5.478 -10.837 5.804 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.925 -12.499 5.272 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.010 -10.155 6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.509 -12.752 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.751 -11.563 8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.551 -13.464 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.908 -13.205 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.786 -10.840 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.850 -10.146 5.153 1.00 0.00 H new ATOM 915 N GLU A 59 -0.036 -10.606 7.349 1.00 0.00 N ATOM 916 CA GLU A 59 1.044 -10.062 8.217 1.00 0.00 C ATOM 917 C GLU A 59 1.268 -8.590 7.866 1.00 0.00 C ATOM 918 O GLU A 59 1.119 -7.716 8.697 1.00 0.00 O ATOM 919 CB GLU A 59 2.336 -10.847 7.977 1.00 0.00 C ATOM 920 CG GLU A 59 3.250 -10.714 9.197 1.00 0.00 C ATOM 921 CD GLU A 59 3.312 -12.052 9.936 1.00 0.00 C ATOM 922 OE1 GLU A 59 2.322 -12.413 10.551 1.00 0.00 O ATOM 923 OE2 GLU A 59 4.348 -12.693 9.875 1.00 0.00 O ATOM 0 H GLU A 59 0.285 -11.158 6.554 1.00 0.00 H new ATOM 0 HA GLU A 59 0.758 -10.153 9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.107 -11.897 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.842 -10.471 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.250 -10.412 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.876 -9.936 9.862 1.00 0.00 H new ATOM 930 N MET A 60 1.616 -8.305 6.638 1.00 0.00 N ATOM 931 CA MET A 60 1.834 -6.885 6.244 1.00 0.00 C ATOM 932 C MET A 60 0.500 -6.145 6.334 1.00 0.00 C ATOM 933 O MET A 60 0.452 -4.933 6.393 1.00 0.00 O ATOM 934 CB MET A 60 2.366 -6.818 4.810 1.00 0.00 C ATOM 935 CG MET A 60 1.428 -7.588 3.879 1.00 0.00 C ATOM 936 SD MET A 60 0.008 -6.550 3.457 1.00 0.00 S ATOM 937 CE MET A 60 -0.090 -7.010 1.709 1.00 0.00 C ATOM 0 H MET A 60 1.758 -8.991 5.896 1.00 0.00 H new ATOM 0 HA MET A 60 2.563 -6.423 6.910 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.443 -5.780 4.488 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.369 -7.241 4.763 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.959 -7.882 2.973 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.091 -8.505 4.363 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.116 -6.895 1.359 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.567 -6.365 1.126 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.220 -8.048 1.588 1.00 0.00 H new ATOM 947 N MET A 61 -0.587 -6.871 6.356 1.00 0.00 N ATOM 948 CA MET A 61 -1.919 -6.216 6.453 1.00 0.00 C ATOM 949 C MET A 61 -1.880 -5.179 7.575 1.00 0.00 C ATOM 950 O MET A 61 -2.311 -4.055 7.412 1.00 0.00 O ATOM 951 CB MET A 61 -2.985 -7.272 6.765 1.00 0.00 C ATOM 952 CG MET A 61 -4.145 -6.627 7.527 1.00 0.00 C ATOM 953 SD MET A 61 -3.710 -6.485 9.279 1.00 0.00 S ATOM 954 CE MET A 61 -4.629 -7.932 9.861 1.00 0.00 C ATOM 0 H MET A 61 -0.607 -7.890 6.311 1.00 0.00 H new ATOM 0 HA MET A 61 -2.163 -5.728 5.509 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.349 -7.719 5.840 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.551 -8.077 7.358 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.363 -5.642 7.114 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.048 -7.227 7.413 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.498 -8.037 10.938 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.688 -7.806 9.634 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.255 -8.826 9.361 1.00 0.00 H new ATOM 964 N LYS A 62 -1.356 -5.547 8.713 1.00 0.00 N ATOM 965 CA LYS A 62 -1.279 -4.581 9.842 1.00 0.00 C ATOM 966 C LYS A 62 -0.609 -3.298 9.354 1.00 0.00 C ATOM 967 O LYS A 62 -1.034 -2.204 9.669 1.00 0.00 O ATOM 968 CB LYS A 62 -0.448 -5.187 10.977 1.00 0.00 C ATOM 969 CG LYS A 62 -1.375 -5.873 11.985 1.00 0.00 C ATOM 970 CD LYS A 62 -0.538 -6.688 12.973 1.00 0.00 C ATOM 971 CE LYS A 62 -0.047 -5.778 14.100 1.00 0.00 C ATOM 972 NZ LYS A 62 -1.125 -5.621 15.116 1.00 0.00 N ATOM 0 H LYS A 62 -0.979 -6.474 8.908 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.282 -4.360 10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.264 -5.907 10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.131 -4.408 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.965 -5.128 12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.079 -6.523 11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.133 -7.504 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.311 -7.140 12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.844 -6.202 14.562 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.234 -4.804 13.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.944 -4.770 15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.043 -5.528 14.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.142 -6.456 15.736 1.00 0.00 H new ATOM 986 N GLU A 63 0.437 -3.425 8.583 1.00 0.00 N ATOM 987 CA GLU A 63 1.139 -2.222 8.068 1.00 0.00 C ATOM 988 C GLU A 63 0.325 -1.608 6.927 1.00 0.00 C ATOM 989 O GLU A 63 0.170 -0.406 6.839 1.00 0.00 O ATOM 990 CB GLU A 63 2.514 -2.637 7.546 1.00 0.00 C ATOM 991 CG GLU A 63 3.594 -2.196 8.535 1.00 0.00 C ATOM 992 CD GLU A 63 4.936 -2.807 8.127 1.00 0.00 C ATOM 993 OE1 GLU A 63 4.925 -3.741 7.343 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.952 -2.331 8.606 1.00 0.00 O ATOM 0 H GLU A 63 0.835 -4.317 8.288 1.00 0.00 H new ATOM 0 HA GLU A 63 1.252 -1.488 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.551 -3.718 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.695 -2.186 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.667 -1.109 8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.330 -2.512 9.544 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.194 -2.426 6.050 1.00 0.00 N ATOM 1002 CA PHE A 64 -0.996 -1.895 4.911 1.00 0.00 C ATOM 1003 C PHE A 64 -2.228 -1.162 5.449 1.00 0.00 C ATOM 1004 O PHE A 64 -2.528 -0.053 5.049 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.456 -3.061 4.031 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.334 -2.694 2.568 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.577 -1.382 2.139 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -0.972 -3.676 1.638 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.458 -1.059 0.780 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -0.855 -3.350 0.283 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.098 -2.041 -0.145 1.00 0.00 C ATOM 0 H PHE A 64 -0.096 -3.441 6.074 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.385 -1.206 4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.854 -3.945 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.490 -3.316 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.855 -0.622 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.783 -4.687 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.645 -0.049 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.577 -4.109 -0.433 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.007 -1.790 -1.191 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.951 -1.778 6.346 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.171 -1.125 6.904 1.00 0.00 C ATOM 1023 C GLN A 65 -3.771 -0.042 7.908 1.00 0.00 C ATOM 1024 O GLN A 65 -4.608 0.632 8.473 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.035 -2.173 7.606 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.127 -1.473 8.415 1.00 0.00 C ATOM 1027 CD GLN A 65 -5.605 -1.170 9.821 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -4.337 -1.329 10.081 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -6.359 -0.783 10.691 1.00 0.00 N flip ATOM 0 H GLN A 65 -2.749 -2.706 6.717 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.735 -0.669 6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.484 -2.842 6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.419 -2.788 8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.426 -0.549 7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.013 -2.105 8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.351 -0.658 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.000 -0.582 11.625 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.499 0.141 8.128 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.054 1.191 9.086 1.00 0.00 C ATOM 1040 C GLN A 66 -1.827 2.485 8.315 1.00 0.00 C ATOM 1041 O GLN A 66 -2.095 3.569 8.793 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.747 0.764 9.747 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.053 -0.007 11.029 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.261 0.981 12.179 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.426 2.163 11.955 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.262 0.543 13.408 1.00 0.00 N ATOM 0 H GLN A 66 -1.749 -0.391 7.686 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.813 1.336 9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.169 0.141 9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.138 1.640 9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.945 -0.619 10.894 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.233 -0.686 11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.123 -0.450 13.596 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.401 1.194 14.181 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.337 2.368 7.117 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.090 3.573 6.288 1.00 0.00 C ATOM 1057 C VAL A 67 -2.415 4.039 5.690 1.00 0.00 C ATOM 1058 O VAL A 67 -2.757 5.204 5.726 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.118 3.209 5.166 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.958 4.286 5.048 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.544 1.867 5.482 1.00 0.00 C ATOM 0 H VAL A 67 -1.095 1.482 6.674 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.663 4.371 6.895 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.664 3.137 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.649 4.023 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.490 5.245 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.504 4.360 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.237 1.606 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.088 1.942 6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.221 1.095 5.565 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.168 3.125 5.146 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.479 3.485 4.542 1.00 0.00 C ATOM 1073 C LEU A 68 -5.135 4.608 5.351 1.00 0.00 C ATOM 1074 O LEU A 68 -5.567 5.604 4.807 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.379 2.243 4.547 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.763 2.585 3.983 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.599 3.297 5.050 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.619 3.498 2.760 1.00 0.00 C ATOM 0 H LEU A 68 -2.928 2.135 5.094 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.333 3.833 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.922 1.452 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.477 1.861 5.563 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.260 1.661 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.581 3.537 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.715 2.645 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.097 4.216 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.607 3.736 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.113 4.418 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.035 2.989 1.993 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.221 4.456 6.645 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.859 5.518 7.475 1.00 0.00 C ATOM 1092 C ASP A 69 -4.852 6.636 7.756 1.00 0.00 C ATOM 1093 O ASP A 69 -5.209 7.793 7.852 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.336 4.917 8.798 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.594 5.652 9.267 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.799 6.772 8.828 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -8.329 5.083 10.056 1.00 0.00 O ATOM 0 H ASP A 69 -4.879 3.646 7.162 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.710 5.930 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.548 3.855 8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.552 4.999 9.551 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.597 6.304 7.891 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.580 7.357 8.168 1.00 0.00 C ATOM 1104 C GLU A 70 -2.620 8.408 7.061 1.00 0.00 C ATOM 1105 O GLU A 70 -2.873 9.570 7.306 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.188 6.725 8.226 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.246 7.640 9.010 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.385 7.354 10.506 1.00 0.00 C ATOM 1109 OE1 GLU A 70 0.184 6.372 10.956 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -1.058 8.118 11.176 1.00 0.00 O ATOM 0 H GLU A 70 -3.233 5.354 7.822 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.800 7.830 9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.241 5.746 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.805 6.569 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.784 7.478 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.482 8.684 8.805 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.377 8.012 5.842 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.410 8.999 4.729 1.00 0.00 C ATOM 1119 C ILE A 71 -3.790 9.655 4.682 1.00 0.00 C ATOM 1120 O ILE A 71 -3.915 10.841 4.452 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.128 8.298 3.402 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.326 7.019 3.659 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.323 9.233 2.499 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.570 6.624 2.390 1.00 0.00 C ATOM 0 H ILE A 71 -2.158 7.053 5.570 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.647 9.759 4.895 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.070 8.042 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.624 7.176 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.995 6.213 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.119 8.736 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.894 10.144 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.381 9.487 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.000 5.714 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.281 6.449 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.110 7.427 2.107 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.831 8.897 4.908 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.195 9.493 4.884 1.00 0.00 C ATOM 1138 C LYS A 72 -6.195 10.741 5.764 1.00 0.00 C ATOM 1139 O LYS A 72 -6.867 11.713 5.485 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.214 8.487 5.422 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.621 9.072 5.290 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.635 8.122 5.931 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.962 8.857 6.143 1.00 0.00 C ATOM 1144 NZ LYS A 72 -12.035 8.179 5.362 1.00 0.00 N ATOM 0 H LYS A 72 -4.794 7.897 5.107 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.466 9.754 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.144 7.550 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.000 8.258 6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.667 10.048 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.865 9.225 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.787 7.252 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.254 7.756 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.219 8.867 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.869 9.896 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.936 8.677 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.789 8.191 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.129 7.194 5.683 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.435 10.722 6.825 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.378 11.908 7.720 1.00 0.00 C ATOM 1160 C GLN A 73 -4.731 13.067 6.962 1.00 0.00 C ATOM 1161 O GLN A 73 -5.147 14.204 7.070 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.542 11.570 8.957 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.989 12.440 10.133 1.00 0.00 C ATOM 1164 CD GLN A 73 -4.137 12.112 11.362 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -3.203 12.823 11.674 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -4.422 11.058 12.075 1.00 0.00 N ATOM 0 H GLN A 73 -4.852 9.935 7.109 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.384 12.189 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.656 10.515 9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.485 11.736 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.888 13.495 9.878 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.043 12.264 10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.207 10.461 11.812 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.860 10.830 12.895 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.715 12.785 6.190 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.040 13.869 5.418 1.00 0.00 C ATOM 1177 C GLN A 74 -4.078 14.638 4.597 1.00 0.00 C ATOM 1178 O GLN A 74 -3.945 15.823 4.366 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.000 13.255 4.474 1.00 0.00 C ATOM 1180 CG GLN A 74 -0.680 14.017 4.605 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.033 13.687 5.951 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.755 14.562 6.514 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 -0.246 12.623 6.497 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.324 11.852 6.061 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.547 14.551 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.850 12.203 4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.357 13.298 3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.009 13.746 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.858 15.090 4.528 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.862 11.939 6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.191 12.414 7.395 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.112 13.975 4.152 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.153 14.675 3.345 1.00 0.00 C ATOM 1194 C LEU A 75 -6.681 15.880 4.126 1.00 0.00 C ATOM 1195 O LEU A 75 -7.081 16.875 3.555 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.308 13.714 3.050 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.926 12.790 1.893 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.667 13.622 0.637 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.661 12.011 2.258 1.00 0.00 C ATOM 0 H LEU A 75 -5.280 12.982 4.312 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.714 15.013 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.540 13.125 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.207 14.277 2.797 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.741 12.092 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.395 12.962 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.568 14.176 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.853 14.322 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.389 11.352 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.846 12.709 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.846 11.416 3.152 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.689 15.797 5.427 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.192 16.936 6.244 1.00 0.00 C ATOM 1213 C GLN A 76 -6.531 18.234 5.775 1.00 0.00 C ATOM 1214 O GLN A 76 -7.002 19.319 6.055 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.856 16.695 7.715 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.605 17.706 8.585 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.515 17.283 10.051 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -6.689 16.467 10.410 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -8.335 17.806 10.921 1.00 0.00 N ATOM 0 H GLN A 76 -6.369 14.989 5.960 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.273 17.017 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.132 15.680 8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.782 16.789 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.178 18.700 8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.649 17.765 8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.029 18.491 10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.282 17.530 11.902 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.441 18.133 5.065 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.751 19.362 4.580 1.00 0.00 C ATOM 1230 C GLY A 77 -5.174 19.648 3.138 1.00 0.00 C ATOM 1231 O GLY A 77 -6.303 19.412 2.754 1.00 0.00 O ATOM 0 H GLY A 77 -4.998 17.253 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.002 20.209 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.670 19.231 4.634 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.278 20.156 2.338 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.628 20.456 0.921 1.00 0.00 C ATOM 1237 C GLY A 78 -4.148 19.315 0.020 1.00 0.00 C ATOM 1238 O GLY A 78 -3.972 19.485 -1.170 1.00 0.00 O ATOM 0 H GLY A 78 -3.318 20.376 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.706 20.583 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.167 21.394 0.613 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.937 18.154 0.578 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.471 17.000 -0.245 1.00 0.00 C ATOM 1244 C ASP A 79 -4.590 16.572 -1.197 1.00 0.00 C ATOM 1245 O ASP A 79 -4.828 15.399 -1.402 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.116 15.831 0.676 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.481 16.368 1.959 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -3.051 17.273 2.545 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -1.435 15.866 2.335 1.00 0.00 O ATOM 0 H ASP A 79 -4.067 17.954 1.570 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.593 17.293 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.011 15.256 0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.427 15.153 0.172 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.280 17.515 -1.778 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.385 17.161 -2.714 1.00 0.00 C ATOM 1256 C ASN A 80 -5.870 16.174 -3.765 1.00 0.00 C ATOM 1257 O ASN A 80 -6.639 15.554 -4.473 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.893 18.429 -3.403 1.00 0.00 C ATOM 1259 CG ASN A 80 -5.707 19.216 -3.965 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -4.623 18.684 -4.104 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -5.866 20.468 -4.296 1.00 0.00 N ATOM 0 H ASN A 80 -5.127 18.515 -1.645 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.201 16.700 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.583 18.168 -4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.447 19.044 -2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.081 21.000 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.776 20.915 -4.180 1.00 0.00 H new ATOM 1268 N SER A 81 -4.580 16.003 -3.859 1.00 0.00 N ATOM 1269 CA SER A 81 -4.033 15.036 -4.845 1.00 0.00 C ATOM 1270 C SER A 81 -4.114 13.648 -4.226 1.00 0.00 C ATOM 1271 O SER A 81 -4.500 12.689 -4.864 1.00 0.00 O ATOM 1272 CB SER A 81 -2.576 15.372 -5.160 1.00 0.00 C ATOM 1273 OG SER A 81 -2.519 16.159 -6.342 1.00 0.00 O ATOM 0 H SER A 81 -3.884 16.491 -3.296 1.00 0.00 H new ATOM 0 HA SER A 81 -4.604 15.080 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.128 15.914 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.000 14.456 -5.291 1.00 0.00 H new ATOM 0 HG SER A 81 -1.801 16.821 -6.260 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.779 13.541 -2.969 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.868 12.223 -2.298 1.00 0.00 C ATOM 1281 C LEU A 82 -5.300 11.726 -2.450 1.00 0.00 C ATOM 1282 O LEU A 82 -5.551 10.554 -2.643 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.527 12.375 -0.820 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.114 11.853 -0.577 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.155 12.487 -1.585 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.671 12.214 0.839 1.00 0.00 C ATOM 0 H LEU A 82 -3.449 14.309 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.168 11.516 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.597 13.422 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.242 11.822 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.104 10.770 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.146 12.114 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.468 12.229 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.167 13.570 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.662 11.840 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.682 13.297 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.353 11.762 1.560 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.242 12.627 -2.385 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.663 12.225 -2.549 1.00 0.00 C ATOM 1300 C HIS A 83 -7.739 11.259 -3.728 1.00 0.00 C ATOM 1301 O HIS A 83 -8.598 10.402 -3.796 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.514 13.465 -2.840 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.569 13.616 -1.780 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.220 12.525 -1.223 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.102 14.725 -1.166 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.099 12.995 -0.318 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.065 14.326 -0.246 1.00 0.00 N ATOM 0 H HIS A 83 -6.087 13.622 -2.226 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.037 11.749 -1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.883 14.353 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.981 13.376 -3.821 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.817 15.747 -1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.751 12.371 0.276 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.628 14.926 0.358 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.829 11.392 -4.654 1.00 0.00 N ATOM 1317 CA ASN A 84 -6.821 10.483 -5.832 1.00 0.00 C ATOM 1318 C ASN A 84 -5.881 9.309 -5.548 1.00 0.00 C ATOM 1319 O ASN A 84 -6.123 8.192 -5.960 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.326 11.241 -7.064 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.092 12.558 -7.198 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -6.627 13.592 -6.762 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -8.255 12.564 -7.789 1.00 0.00 N ATOM 0 H ASN A 84 -6.089 12.094 -4.644 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.830 10.115 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.257 11.437 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.467 10.634 -7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.774 13.437 -7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.645 11.696 -8.155 1.00 0.00 H new ATOM 1330 N VAL A 85 -4.807 9.555 -4.844 1.00 0.00 N ATOM 1331 CA VAL A 85 -3.855 8.460 -4.533 1.00 0.00 C ATOM 1332 C VAL A 85 -4.350 7.691 -3.309 1.00 0.00 C ATOM 1333 O VAL A 85 -4.438 6.480 -3.316 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.482 9.058 -4.237 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.407 8.010 -4.498 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.248 10.266 -5.147 1.00 0.00 C ATOM 0 H VAL A 85 -4.552 10.470 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.783 7.782 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.437 9.373 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.426 8.435 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.575 7.148 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.450 7.696 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.268 10.695 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.291 9.950 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.019 11.015 -4.963 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.678 8.388 -2.257 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.171 7.700 -1.032 1.00 0.00 C ATOM 1348 C HIS A 86 -6.324 6.766 -1.411 1.00 0.00 C ATOM 1349 O HIS A 86 -6.682 5.874 -0.668 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.654 8.751 -0.024 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.817 8.212 0.766 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -8.129 8.571 0.487 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.882 7.342 1.826 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.920 7.924 1.363 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -8.209 7.165 2.198 1.00 0.00 N ATOM 0 H HIS A 86 -4.626 9.405 -2.193 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.369 7.115 -0.582 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.841 9.021 0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.950 9.660 -0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.033 6.869 2.298 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.996 8.009 1.387 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -8.565 6.577 2.952 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.906 6.963 -2.562 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.031 6.087 -2.988 1.00 0.00 C ATOM 1366 C GLU A 87 -7.469 4.793 -3.578 1.00 0.00 C ATOM 1367 O GLU A 87 -8.177 3.821 -3.759 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.868 6.809 -4.047 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.817 7.795 -3.362 1.00 0.00 C ATOM 1370 CD GLU A 87 -10.966 7.026 -2.706 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.074 5.836 -2.954 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -11.718 7.640 -1.967 1.00 0.00 O ATOM 0 H GLU A 87 -6.650 7.694 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.658 5.854 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.216 7.338 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.437 6.086 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.278 8.374 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.209 8.504 -4.091 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.199 4.773 -3.877 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.589 3.543 -4.454 1.00 0.00 C ATOM 1381 C ASN A 88 -5.448 2.485 -3.357 1.00 0.00 C ATOM 1382 O ASN A 88 -6.066 1.442 -3.411 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.212 3.881 -5.032 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.382 4.841 -6.212 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -3.354 5.521 -6.644 1.00 0.00 O flip ATOM 1386 ND2 ASN A 88 -5.464 4.976 -6.748 1.00 0.00 N flip ATOM 0 H ASN A 88 -5.558 5.555 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.225 3.154 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.585 4.336 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.708 2.971 -5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.269 4.446 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.568 5.619 -7.533 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.649 2.744 -2.358 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.488 1.743 -1.264 1.00 0.00 C ATOM 1395 C ILE A 89 -5.841 1.086 -0.988 1.00 0.00 C ATOM 1396 O ILE A 89 -5.969 -0.121 -1.009 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.974 2.447 0.002 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.484 2.774 -0.178 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.159 1.545 1.234 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.786 2.805 1.184 1.00 0.00 C ATOM 0 H ILE A 89 -4.104 3.599 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.769 0.979 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.542 3.364 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.015 2.028 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.372 3.738 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.789 2.060 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.217 1.316 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.602 0.619 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.730 3.038 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.247 3.568 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.883 1.832 1.665 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.853 1.867 -0.731 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.194 1.280 -0.449 1.00 0.00 C ATOM 1414 C LYS A 90 -8.460 0.124 -1.416 1.00 0.00 C ATOM 1415 O LYS A 90 -8.603 -1.013 -1.012 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.266 2.357 -0.629 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.653 1.742 -0.424 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.717 2.832 -0.557 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.304 3.145 0.820 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.397 4.148 0.678 1.00 0.00 N ATOM 0 H LYS A 90 -6.810 2.886 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.221 0.907 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.107 3.165 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.194 2.793 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.827 0.957 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.715 1.276 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.279 3.731 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.506 2.504 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.689 2.234 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.526 3.530 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.796 4.361 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.016 5.020 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.143 3.764 0.063 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.525 0.399 -2.689 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.779 -0.690 -3.673 1.00 0.00 C ATOM 1436 C GLU A 91 -7.524 -1.556 -3.808 1.00 0.00 C ATOM 1437 O GLU A 91 -7.586 -2.769 -3.777 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.123 -0.077 -5.034 1.00 0.00 C ATOM 1439 CG GLU A 91 -9.500 -1.187 -6.016 1.00 0.00 C ATOM 1440 CD GLU A 91 -9.618 -0.603 -7.426 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -9.524 0.606 -7.554 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -9.796 -1.376 -8.353 1.00 0.00 O ATOM 0 H GLU A 91 -8.413 1.330 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.611 -1.305 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.950 0.626 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.272 0.487 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.746 -1.974 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.444 -1.644 -5.720 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.388 -0.938 -3.959 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.122 -1.711 -4.099 1.00 0.00 C ATOM 1451 C ILE A 92 -4.949 -2.644 -2.895 1.00 0.00 C ATOM 1452 O ILE A 92 -4.893 -3.850 -3.033 1.00 0.00 O ATOM 1453 CB ILE A 92 -3.942 -0.735 -4.163 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.625 -0.415 -5.628 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.710 -1.362 -3.501 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.818 -1.562 -6.239 1.00 0.00 C ATOM 0 H ILE A 92 -6.280 0.076 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.158 -2.307 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.206 0.181 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.549 -0.268 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.061 0.516 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.875 -0.663 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.933 -1.588 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.445 -2.281 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.593 -1.334 -7.281 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.887 -1.687 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.398 -2.483 -6.186 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.846 -2.092 -1.717 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.655 -2.941 -0.508 1.00 0.00 C ATOM 1470 C PHE A 93 -5.718 -4.039 -0.468 1.00 0.00 C ATOM 1471 O PHE A 93 -5.466 -5.141 -0.022 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.763 -2.070 0.746 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.876 -2.939 1.975 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.041 -4.051 2.135 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.816 -2.623 2.961 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.149 -4.847 3.278 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.925 -3.417 4.105 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.091 -4.531 4.266 1.00 0.00 C ATOM 0 H PHE A 93 -4.886 -1.088 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.669 -3.405 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.888 -1.425 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.633 -1.418 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.313 -4.294 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.459 -1.764 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.506 -5.706 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.652 -3.172 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.174 -5.145 5.150 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.902 -3.755 -0.929 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.966 -4.794 -0.913 1.00 0.00 C ATOM 1490 C HIS A 94 -7.863 -5.643 -2.178 1.00 0.00 C ATOM 1491 O HIS A 94 -8.658 -6.533 -2.405 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.339 -4.125 -0.859 1.00 0.00 C ATOM 1493 CG HIS A 94 -9.734 -3.896 0.575 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -10.423 -2.760 0.977 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -9.546 -4.644 1.712 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -10.625 -2.856 2.304 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -10.109 -3.983 2.798 1.00 0.00 N ATOM 0 H HIS A 94 -7.178 -2.852 -1.315 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.840 -5.428 -0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.314 -3.177 -1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.080 -4.752 -1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.040 -5.597 1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.140 -2.114 2.895 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.124 -4.294 3.769 1.00 0.00 H new ATOM 1506 N HIS A 95 -6.885 -5.384 -3.001 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.735 -6.188 -4.244 1.00 0.00 C ATOM 1508 C HIS A 95 -5.825 -7.379 -3.953 1.00 0.00 C ATOM 1509 O HIS A 95 -5.972 -8.440 -4.526 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.125 -5.329 -5.354 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.135 -5.139 -6.454 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -7.983 -6.159 -6.862 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.449 -4.054 -7.234 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -8.759 -5.671 -7.848 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.473 -4.396 -8.111 1.00 0.00 N ATOM 0 H HIS A 95 -6.186 -4.653 -2.867 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.713 -6.540 -4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.821 -4.362 -4.954 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.228 -5.808 -5.748 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.975 -3.085 -7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.519 -6.242 -8.362 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -8.913 -3.797 -8.809 1.00 0.00 H new ATOM 1524 N LEU A 96 -4.893 -7.219 -3.054 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.992 -8.353 -2.719 1.00 0.00 C ATOM 1526 C LEU A 96 -4.801 -9.413 -1.975 1.00 0.00 C ATOM 1527 O LEU A 96 -4.886 -10.550 -2.399 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.843 -7.862 -1.840 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.530 -8.497 -2.311 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.453 -8.284 -1.248 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.728 -9.999 -2.532 1.00 0.00 C ATOM 0 H LEU A 96 -4.718 -6.355 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.574 -8.778 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.772 -6.775 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.032 -8.122 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.223 -8.031 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.482 -8.735 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.304 -7.216 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.767 -8.749 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.791 -10.444 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.038 -10.466 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.496 -10.157 -3.289 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.416 -9.057 -0.878 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.230 -10.058 -0.145 1.00 0.00 C ATOM 1545 C GLU A 97 -7.204 -10.693 -1.136 1.00 0.00 C ATOM 1546 O GLU A 97 -7.912 -11.628 -0.823 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.009 -9.367 0.978 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.504 -10.413 1.982 1.00 0.00 C ATOM 1549 CD GLU A 97 -9.032 -10.390 2.033 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -9.589 -9.305 2.030 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.621 -11.459 2.073 1.00 0.00 O ATOM 0 H GLU A 97 -5.388 -8.125 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.588 -10.821 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.372 -8.639 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.855 -8.818 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.154 -11.404 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.094 -10.206 2.970 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.234 -10.182 -2.339 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.148 -10.738 -3.373 1.00 0.00 C ATOM 1560 C GLU A 98 -7.431 -11.858 -4.126 1.00 0.00 C ATOM 1561 O GLU A 98 -8.034 -12.836 -4.520 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.537 -9.631 -4.357 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.971 -9.858 -4.844 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.946 -9.112 -3.929 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.485 -8.464 -3.004 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -12.139 -9.202 -4.171 1.00 0.00 O ATOM 0 H GLU A 98 -6.660 -9.398 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.046 -11.132 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.456 -8.657 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.851 -9.626 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.078 -9.506 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.201 -10.923 -4.846 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.146 -11.729 -4.328 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.405 -12.794 -5.052 1.00 0.00 C ATOM 1575 C LEU A 99 -5.196 -13.980 -4.112 1.00 0.00 C ATOM 1576 O LEU A 99 -4.641 -14.995 -4.483 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.053 -12.252 -5.519 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.247 -11.465 -6.818 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.500 -10.133 -6.727 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.699 -12.279 -7.992 1.00 0.00 C ATOM 0 H LEU A 99 -5.583 -10.935 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.975 -13.116 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.621 -11.610 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.354 -13.073 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.309 -11.274 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.639 -9.574 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.890 -9.553 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.438 -10.321 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.836 -11.720 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.637 -12.470 -7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.233 -13.227 -8.058 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.642 -13.854 -2.893 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.482 -14.963 -1.915 1.00 0.00 C ATOM 1594 C VAL A 100 -6.861 -15.465 -1.484 1.00 0.00 C ATOM 1595 O VAL A 100 -7.067 -16.643 -1.271 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.700 -14.456 -0.702 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.913 -13.208 -1.095 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.663 -14.099 0.427 1.00 0.00 C ATOM 0 H VAL A 100 -6.113 -13.025 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.935 -15.786 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.019 -15.238 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.354 -12.844 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.220 -13.453 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.603 -12.435 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.098 -13.739 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.346 -13.320 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.233 -14.983 0.712 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.807 -14.577 -1.347 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.169 -15.000 -0.922 1.00 0.00 C ATOM 1610 C HIS A 101 -9.625 -16.190 -1.770 1.00 0.00 C ATOM 1611 O HIS A 101 -10.453 -16.978 -1.356 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.146 -13.839 -1.109 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.541 -14.302 -0.791 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.215 -15.215 -1.589 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.400 -13.991 0.234 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -13.425 -15.420 -1.036 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.586 -14.699 0.074 1.00 0.00 N ATOM 0 H HIS A 101 -7.695 -13.577 -1.511 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.145 -15.291 0.128 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.870 -13.009 -0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.098 -13.471 -2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.188 -13.303 1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.173 -16.086 -1.441 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.407 -14.672 0.679 1.00 0.00 H new ATOM 1626 N ARG A 102 -9.095 -16.325 -2.954 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.502 -17.463 -3.827 1.00 0.00 C ATOM 1628 C ARG A 102 -8.625 -18.679 -3.523 1.00 0.00 C ATOM 1629 O ARG A 102 -8.853 -19.715 -4.127 1.00 0.00 O ATOM 1630 CB ARG A 102 -9.334 -17.065 -5.295 1.00 0.00 C ATOM 1631 CG ARG A 102 -7.920 -16.526 -5.522 1.00 0.00 C ATOM 1632 CD ARG A 102 -7.328 -17.159 -6.781 1.00 0.00 C ATOM 1633 NE ARG A 102 -6.106 -16.410 -7.189 1.00 0.00 N ATOM 1634 CZ ARG A 102 -5.589 -16.599 -8.372 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -6.139 -17.452 -9.194 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -4.524 -15.939 -8.733 1.00 0.00 N ATOM 1637 OXT ARG A 102 -7.742 -18.556 -2.691 1.00 0.00 O ATOM 0 H ARG A 102 -8.398 -15.697 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.546 -17.712 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.513 -17.926 -5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.070 -16.307 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.945 -15.441 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.292 -16.750 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.081 -18.204 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.062 -17.145 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.674 -15.749 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.971 -17.969 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.736 -17.601 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.094 -15.274 -8.090 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.121 -16.088 -9.658 1.00 0.00 H new