USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 ASN :FLIP amide:sc= -0.0293 X(o=-1.8,f=-1.5) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= -1.42 F(o=-3.8!,f=-1.5) USER MOD Set 2.1: A 3 GLN : amide:sc= -5.79! C(o=-5.8!,f=-8.2!) USER MOD Set 2.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 14 HIS : no HE2:sc= -4.56! C(o=-18!,f=-25!) USER MOD Set 3.2: A 60 HIS : no HE2:sc= -13.9! C(o=-18!,f=-38!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.578 (180deg=-1.4!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 116:sc= 0.921 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.104) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.231 (180deg=-1.44!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -2.26 F(o=-2.8!,f=-2.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -110:sc= -2.11 (180deg=-4.46!) USER MOD Single : A 30 ASN :FLIP amide:sc= 0.565 F(o=-3.7!,f=0.57) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.22) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.534 F(o=-2.5!,f=-0.53) USER MOD Single : A 45 ASN : amide:sc= -5.84! C(o=-5.8!,f=-6.5!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.103 F(o=-2.1!,f=-0.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.969 X(o=-0.97,f=-0.66) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00433) USER MOD Single : A 71 SER OG : rot 28:sc= 0.717 USER MOD Single : A 76 ASN : amide:sc= -1.72! C(o=-1.7!,f=-8.5!) USER MOD Single : A 78 GLN :FLIP amide:sc= -2.66! C(o=-3.7!,f=-2.7!) USER MOD Single : A 83 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.6) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.997 F(o=-2.2!,f=-1) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -31:sc= 1.09 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.821 K(o=-0.82,f=-5.2!) USER MOD Single : A 98 ASN : amide:sc= -0.415! X(o=-0.41!,f=-0.84) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0481 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.887 14.081 -7.279 1.00 0.00 N ATOM 2 CA MET A 1 -10.087 14.303 -6.422 1.00 0.00 C ATOM 3 C MET A 1 -10.538 12.971 -5.827 1.00 0.00 C ATOM 4 O MET A 1 -10.386 12.733 -4.629 1.00 0.00 O ATOM 5 CB MET A 1 -11.213 14.916 -7.268 1.00 0.00 C ATOM 6 CG MET A 1 -11.017 14.545 -8.740 1.00 0.00 C ATOM 7 SD MET A 1 -12.593 14.702 -9.617 1.00 0.00 S ATOM 8 CE MET A 1 -12.134 13.739 -11.080 1.00 0.00 C ATOM 0 H1 MET A 1 -8.749 14.902 -7.903 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.048 13.959 -6.677 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.026 13.227 -7.856 1.00 0.00 H new ATOM 0 HA MET A 1 -9.840 14.989 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.180 14.555 -6.918 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.217 16.000 -7.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.270 15.196 -9.194 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.643 13.525 -8.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.976 13.704 -11.771 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.281 14.207 -11.571 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.869 12.725 -10.780 1.00 0.00 H new ATOM 18 N GLU A 2 -11.093 12.106 -6.671 1.00 0.00 N ATOM 19 CA GLU A 2 -11.563 10.803 -6.214 1.00 0.00 C ATOM 20 C GLU A 2 -10.409 9.809 -6.145 1.00 0.00 C ATOM 21 O GLU A 2 -10.509 8.775 -5.484 1.00 0.00 O ATOM 22 CB GLU A 2 -12.638 10.273 -7.164 1.00 0.00 C ATOM 23 CG GLU A 2 -13.848 11.210 -7.140 1.00 0.00 C ATOM 24 CD GLU A 2 -15.044 10.532 -7.800 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.518 11.051 -8.797 1.00 0.00 O ATOM 26 OE2 GLU A 2 -15.469 9.504 -7.298 1.00 0.00 O ATOM 0 H GLU A 2 -11.227 12.282 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.985 10.921 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.240 10.201 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.937 9.268 -6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.092 11.476 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.611 12.137 -7.662 1.00 0.00 H new ATOM 33 N GLN A 3 -9.314 10.123 -6.831 1.00 0.00 N ATOM 34 CA GLN A 3 -8.150 9.243 -6.837 1.00 0.00 C ATOM 35 C GLN A 3 -7.764 8.868 -5.411 1.00 0.00 C ATOM 36 O GLN A 3 -7.895 7.715 -5.006 1.00 0.00 O ATOM 37 CB GLN A 3 -6.974 9.933 -7.537 1.00 0.00 C ATOM 38 CG GLN A 3 -5.693 9.110 -7.350 1.00 0.00 C ATOM 39 CD GLN A 3 -5.035 9.454 -6.016 1.00 0.00 C ATOM 40 OE1 GLN A 3 -5.075 10.605 -5.582 1.00 0.00 O ATOM 41 NE2 GLN A 3 -4.428 8.519 -5.338 1.00 0.00 N ATOM 0 H GLN A 3 -9.208 10.973 -7.385 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.401 8.333 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.190 10.048 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.835 10.934 -7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.927 8.046 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.001 9.311 -8.168 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.396 7.566 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.985 8.741 -4.446 1.00 0.00 H new ATOM 50 N PHE A 4 -7.309 9.850 -4.648 1.00 0.00 N ATOM 51 CA PHE A 4 -6.932 9.612 -3.264 1.00 0.00 C ATOM 52 C PHE A 4 -8.001 8.761 -2.585 1.00 0.00 C ATOM 53 O PHE A 4 -7.724 7.681 -2.064 1.00 0.00 O ATOM 54 CB PHE A 4 -6.809 10.961 -2.536 1.00 0.00 C ATOM 55 CG PHE A 4 -5.631 10.936 -1.589 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.403 9.814 -0.785 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.769 12.037 -1.514 1.00 0.00 C ATOM 58 CE1 PHE A 4 -4.313 9.791 0.093 1.00 0.00 C ATOM 59 CE2 PHE A 4 -3.678 12.014 -0.636 1.00 0.00 C ATOM 60 CZ PHE A 4 -3.451 10.890 0.168 1.00 0.00 C ATOM 0 H PHE A 4 -7.192 10.814 -4.962 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.977 9.088 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.685 11.765 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.725 11.170 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.068 8.965 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.945 12.904 -2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.138 8.924 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.012 12.862 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.610 10.872 0.846 1.00 0.00 H new ATOM 70 N ASN A 5 -9.219 9.282 -2.594 1.00 0.00 N ATOM 71 CA ASN A 5 -10.350 8.599 -1.976 1.00 0.00 C ATOM 72 C ASN A 5 -10.570 7.219 -2.598 1.00 0.00 C ATOM 73 O ASN A 5 -11.156 6.339 -1.969 1.00 0.00 O ATOM 74 CB ASN A 5 -11.618 9.451 -2.131 1.00 0.00 C ATOM 75 CG ASN A 5 -12.420 9.452 -0.832 1.00 0.00 C ATOM 76 OD1 ASN A 5 -11.921 9.890 0.205 1.00 0.00 O ATOM 77 ND2 ASN A 5 -13.639 8.986 -0.825 1.00 0.00 N ATOM 0 H ASN A 5 -9.452 10.178 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.129 8.462 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.347 10.472 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.230 9.059 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.179 8.984 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.051 8.623 -1.685 1.00 0.00 H new ATOM 84 N ALA A 6 -10.107 7.032 -3.832 1.00 0.00 N ATOM 85 CA ALA A 6 -10.278 5.748 -4.507 1.00 0.00 C ATOM 86 C ALA A 6 -9.202 4.756 -4.068 1.00 0.00 C ATOM 87 O ALA A 6 -9.508 3.703 -3.508 1.00 0.00 O ATOM 88 CB ALA A 6 -10.218 5.942 -6.023 1.00 0.00 C ATOM 0 H ALA A 6 -9.618 7.741 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.253 5.344 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.346 4.980 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.013 6.620 -6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.252 6.365 -6.298 1.00 0.00 H new ATOM 94 N PHE A 7 -7.943 5.104 -4.312 1.00 0.00 N ATOM 95 CA PHE A 7 -6.836 4.235 -3.925 1.00 0.00 C ATOM 96 C PHE A 7 -6.900 3.947 -2.426 1.00 0.00 C ATOM 97 O PHE A 7 -6.814 2.797 -1.997 1.00 0.00 O ATOM 98 CB PHE A 7 -5.500 4.907 -4.287 1.00 0.00 C ATOM 99 CG PHE A 7 -4.462 4.621 -3.224 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.681 3.463 -3.304 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.284 5.515 -2.163 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.720 3.198 -2.319 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.324 5.251 -1.179 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.542 4.093 -1.257 1.00 0.00 C ATOM 0 H PHE A 7 -7.665 5.972 -4.771 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.912 3.290 -4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.151 4.541 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.642 5.983 -4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.819 2.774 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.887 6.409 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.117 2.304 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.187 5.941 -0.360 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.801 3.890 -0.498 1.00 0.00 H new ATOM 114 N LYS A 8 -7.051 5.006 -1.639 1.00 0.00 N ATOM 115 CA LYS A 8 -7.125 4.877 -0.188 1.00 0.00 C ATOM 116 C LYS A 8 -8.295 4.000 0.240 1.00 0.00 C ATOM 117 O LYS A 8 -8.123 3.054 1.014 1.00 0.00 O ATOM 118 CB LYS A 8 -7.290 6.260 0.441 1.00 0.00 C ATOM 119 CG LYS A 8 -7.056 6.163 1.954 1.00 0.00 C ATOM 120 CD LYS A 8 -6.933 7.568 2.557 1.00 0.00 C ATOM 121 CE LYS A 8 -8.328 8.149 2.809 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.220 9.618 3.035 1.00 0.00 N ATOM 0 H LYS A 8 -7.125 5.964 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.201 4.409 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.583 6.960 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.289 6.646 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.881 5.627 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.150 5.592 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.373 7.525 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.376 8.216 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.977 7.948 1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.783 7.669 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.167 10.013 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.615 9.799 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.803 10.069 2.195 1.00 0.00 H new ATOM 136 N SER A 9 -9.491 4.324 -0.240 1.00 0.00 N ATOM 137 CA SER A 9 -10.664 3.553 0.140 1.00 0.00 C ATOM 138 C SER A 9 -10.431 2.076 -0.143 1.00 0.00 C ATOM 139 O SER A 9 -11.039 1.213 0.490 1.00 0.00 O ATOM 140 CB SER A 9 -11.907 4.047 -0.601 1.00 0.00 C ATOM 141 OG SER A 9 -12.245 5.345 -0.132 1.00 0.00 O ATOM 0 H SER A 9 -9.670 5.098 -0.879 1.00 0.00 H new ATOM 0 HA SER A 9 -10.832 3.688 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.719 4.073 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.738 3.361 -0.439 1.00 0.00 H new ATOM 0 HG SER A 9 -12.154 5.991 -0.863 1.00 0.00 H new ATOM 147 N LEU A 10 -9.533 1.785 -1.079 1.00 0.00 N ATOM 148 CA LEU A 10 -9.223 0.400 -1.400 1.00 0.00 C ATOM 149 C LEU A 10 -8.569 -0.258 -0.190 1.00 0.00 C ATOM 150 O LEU A 10 -8.818 -1.427 0.105 1.00 0.00 O ATOM 151 CB LEU A 10 -8.283 0.330 -2.612 1.00 0.00 C ATOM 152 CG LEU A 10 -8.575 -0.937 -3.430 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.538 -1.075 -4.548 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.507 -2.169 -2.522 1.00 0.00 C ATOM 0 H LEU A 10 -9.016 2.478 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.143 -0.128 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.414 1.214 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.245 0.326 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.573 -0.861 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.746 -1.974 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.588 -0.203 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.541 -1.146 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.715 -3.065 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.511 -2.244 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.246 -2.076 -1.726 1.00 0.00 H new ATOM 166 N LEU A 11 -7.738 0.507 0.518 1.00 0.00 N ATOM 167 CA LEU A 11 -7.070 -0.018 1.701 1.00 0.00 C ATOM 168 C LEU A 11 -8.104 -0.324 2.779 1.00 0.00 C ATOM 169 O LEU A 11 -8.097 -1.410 3.348 1.00 0.00 O ATOM 170 CB LEU A 11 -6.034 0.979 2.235 1.00 0.00 C ATOM 171 CG LEU A 11 -4.789 0.984 1.336 1.00 0.00 C ATOM 172 CD1 LEU A 11 -4.072 2.331 1.470 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.834 -0.137 1.764 1.00 0.00 C ATOM 0 H LEU A 11 -7.516 1.477 0.295 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.548 -0.934 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.467 1.978 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.754 0.713 3.254 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.093 0.826 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.188 2.337 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.744 3.133 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.773 2.482 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.953 -0.129 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.531 0.019 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.339 -1.099 1.674 1.00 0.00 H new ATOM 185 N LYS A 12 -9.009 0.617 3.039 1.00 0.00 N ATOM 186 CA LYS A 12 -10.051 0.382 4.041 1.00 0.00 C ATOM 187 C LYS A 12 -10.514 -1.075 3.964 1.00 0.00 C ATOM 188 O LYS A 12 -10.471 -1.803 4.955 1.00 0.00 O ATOM 189 CB LYS A 12 -11.240 1.324 3.797 1.00 0.00 C ATOM 190 CG LYS A 12 -11.124 2.557 4.701 1.00 0.00 C ATOM 191 CD LYS A 12 -12.317 3.486 4.458 1.00 0.00 C ATOM 192 CE LYS A 12 -12.498 4.419 5.657 1.00 0.00 C ATOM 193 NZ LYS A 12 -13.155 3.675 6.769 1.00 0.00 N ATOM 0 H LYS A 12 -9.045 1.529 2.583 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.646 0.580 5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.264 1.630 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.176 0.802 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.095 2.252 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.192 3.084 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.157 4.070 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.222 2.898 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.531 4.802 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.103 5.280 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.507 4.350 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.951 3.120 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.466 3.035 7.213 1.00 0.00 H new ATOM 207 N LYS A 13 -10.930 -1.495 2.775 1.00 0.00 N ATOM 208 CA LYS A 13 -11.367 -2.872 2.568 1.00 0.00 C ATOM 209 C LYS A 13 -10.261 -3.836 2.988 1.00 0.00 C ATOM 210 O LYS A 13 -10.517 -4.863 3.617 1.00 0.00 O ATOM 211 CB LYS A 13 -11.704 -3.092 1.088 1.00 0.00 C ATOM 212 CG LYS A 13 -13.160 -2.689 0.819 1.00 0.00 C ATOM 213 CD LYS A 13 -14.096 -3.860 1.152 1.00 0.00 C ATOM 214 CE LYS A 13 -15.479 -3.323 1.532 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.763 -2.085 0.751 1.00 0.00 N ATOM 0 H LYS A 13 -10.974 -0.906 1.943 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.255 -3.058 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.033 -2.504 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.552 -4.138 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.423 -1.819 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.280 -2.402 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.178 -4.528 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.684 -4.445 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.241 -4.076 1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.517 -3.109 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.791 -1.937 0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.321 -1.269 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.376 -2.184 -0.209 1.00 0.00 H new ATOM 229 N HIS A 14 -9.031 -3.486 2.636 1.00 0.00 N ATOM 230 CA HIS A 14 -7.871 -4.303 2.973 1.00 0.00 C ATOM 231 C HIS A 14 -7.598 -4.281 4.476 1.00 0.00 C ATOM 232 O HIS A 14 -7.730 -5.300 5.155 1.00 0.00 O ATOM 233 CB HIS A 14 -6.642 -3.772 2.232 1.00 0.00 C ATOM 234 CG HIS A 14 -5.568 -4.826 2.228 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.368 -4.664 2.903 1.00 0.00 N ATOM 236 CD2 HIS A 14 -5.502 -6.063 1.637 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.637 -5.777 2.703 1.00 0.00 C ATOM 238 NE2 HIS A 14 -4.282 -6.661 1.937 1.00 0.00 N ATOM 0 H HIS A 14 -8.809 -2.638 2.115 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.079 -5.330 2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.908 -3.504 1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.276 -2.866 2.714 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.090 -3.850 3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.279 -6.505 1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.650 -5.936 3.112 1.00 0.00 H new ATOM 247 N TYR A 15 -7.209 -3.116 4.985 1.00 0.00 N ATOM 248 CA TYR A 15 -6.907 -2.962 6.403 1.00 0.00 C ATOM 249 C TYR A 15 -8.184 -2.929 7.237 1.00 0.00 C ATOM 250 O TYR A 15 -8.175 -2.458 8.374 1.00 0.00 O ATOM 251 CB TYR A 15 -6.125 -1.658 6.616 1.00 0.00 C ATOM 252 CG TYR A 15 -4.640 -1.919 6.485 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.122 -2.428 5.287 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.783 -1.656 7.561 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.749 -2.674 5.167 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.410 -1.901 7.439 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.893 -2.411 6.242 1.00 0.00 C ATOM 258 OH TYR A 15 -0.540 -2.655 6.123 1.00 0.00 O ATOM 0 H TYR A 15 -7.096 -2.264 4.435 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.310 -3.816 6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.438 -0.913 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.345 -1.249 7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.782 -2.631 4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.181 -1.264 8.485 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.350 -3.067 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.749 -1.697 8.269 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.090 -2.417 6.960 1.00 0.00 H new ATOM 268 N GLU A 16 -9.281 -3.432 6.681 1.00 0.00 N ATOM 269 CA GLU A 16 -10.544 -3.445 7.409 1.00 0.00 C ATOM 270 C GLU A 16 -10.344 -4.018 8.808 1.00 0.00 C ATOM 271 O GLU A 16 -10.826 -3.460 9.794 1.00 0.00 O ATOM 272 CB GLU A 16 -11.577 -4.286 6.651 1.00 0.00 C ATOM 273 CG GLU A 16 -12.988 -3.929 7.128 1.00 0.00 C ATOM 274 CD GLU A 16 -13.167 -4.342 8.585 1.00 0.00 C ATOM 275 OE1 GLU A 16 -12.915 -5.497 8.889 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.554 -3.499 9.377 1.00 0.00 O ATOM 0 H GLU A 16 -9.322 -3.830 5.743 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.906 -2.420 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.489 -4.107 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.386 -5.347 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.156 -2.857 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.729 -4.431 6.506 1.00 0.00 H new ATOM 283 N LYS A 17 -9.625 -5.134 8.886 1.00 0.00 N ATOM 284 CA LYS A 17 -9.361 -5.776 10.169 1.00 0.00 C ATOM 285 C LYS A 17 -8.078 -5.230 10.784 1.00 0.00 C ATOM 286 O LYS A 17 -7.526 -5.814 11.717 1.00 0.00 O ATOM 287 CB LYS A 17 -9.231 -7.289 9.976 1.00 0.00 C ATOM 288 CG LYS A 17 -10.586 -7.872 9.559 1.00 0.00 C ATOM 289 CD LYS A 17 -10.382 -9.249 8.911 1.00 0.00 C ATOM 290 CE LYS A 17 -10.119 -9.083 7.411 1.00 0.00 C ATOM 291 NZ LYS A 17 -11.404 -8.804 6.709 1.00 0.00 N ATOM 0 H LYS A 17 -9.217 -5.610 8.081 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.193 -5.564 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.481 -7.506 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.892 -7.756 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.237 -7.962 10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.081 -7.200 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.543 -9.762 9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.264 -9.869 9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.416 -8.268 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.661 -9.987 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.282 -8.958 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.142 -9.441 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.685 -7.817 6.879 1.00 0.00 H new ATOM 305 N THR A 18 -7.605 -4.106 10.254 1.00 0.00 N ATOM 306 CA THR A 18 -6.381 -3.487 10.755 1.00 0.00 C ATOM 307 C THR A 18 -6.532 -1.970 10.813 1.00 0.00 C ATOM 308 O THR A 18 -5.725 -1.235 10.242 1.00 0.00 O ATOM 309 CB THR A 18 -5.205 -3.854 9.845 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.259 -5.240 9.542 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.888 -3.536 10.555 1.00 0.00 C ATOM 0 H THR A 18 -8.047 -3.607 9.482 1.00 0.00 H new ATOM 0 HA THR A 18 -6.191 -3.858 11.762 1.00 0.00 H new ATOM 0 HB THR A 18 -5.265 -3.277 8.922 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.508 -5.477 8.958 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.052 -3.798 9.906 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.848 -2.472 10.787 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.824 -4.112 11.478 1.00 0.00 H new ATOM 319 N ILE A 19 -7.568 -1.506 11.505 1.00 0.00 N ATOM 320 CA ILE A 19 -7.808 -0.072 11.627 1.00 0.00 C ATOM 321 C ILE A 19 -6.793 0.560 12.576 1.00 0.00 C ATOM 322 O ILE A 19 -6.002 1.408 12.164 1.00 0.00 O ATOM 323 CB ILE A 19 -9.233 0.187 12.130 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.444 1.695 12.305 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.457 -0.522 13.471 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.937 1.985 12.465 1.00 0.00 C ATOM 0 H ILE A 19 -8.248 -2.095 11.985 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.694 0.382 10.643 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.945 -0.202 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.898 2.051 13.179 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.049 2.231 11.442 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.472 -0.331 13.818 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.313 -1.595 13.344 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.745 -0.145 14.205 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.088 3.057 12.590 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.471 1.644 11.578 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.318 1.461 13.342 1.00 0.00 H new ATOM 338 N GLY A 20 -6.824 0.152 13.847 1.00 0.00 N ATOM 339 CA GLY A 20 -5.902 0.692 14.846 1.00 0.00 C ATOM 340 C GLY A 20 -4.618 1.189 14.194 1.00 0.00 C ATOM 341 O GLY A 20 -4.306 2.378 14.247 1.00 0.00 O ATOM 0 H GLY A 20 -7.474 -0.547 14.206 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.381 1.510 15.383 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.666 -0.077 15.581 1.00 0.00 H new ATOM 345 N PHE A 21 -3.885 0.270 13.568 1.00 0.00 N ATOM 346 CA PHE A 21 -2.640 0.629 12.890 1.00 0.00 C ATOM 347 C PHE A 21 -2.786 2.008 12.257 1.00 0.00 C ATOM 348 O PHE A 21 -1.948 2.889 12.447 1.00 0.00 O ATOM 349 CB PHE A 21 -2.314 -0.405 11.811 1.00 0.00 C ATOM 350 CG PHE A 21 -0.931 -0.148 11.259 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.774 0.315 9.947 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.195 -0.375 12.061 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.509 0.550 9.437 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.476 -0.139 11.550 1.00 0.00 C ATOM 355 CZ PHE A 21 1.634 0.324 10.238 1.00 0.00 C ATOM 0 H PHE A 21 -4.128 -0.719 13.516 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.828 0.648 13.617 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.368 -1.410 12.229 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.051 -0.353 11.010 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.642 0.491 9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.074 -0.732 13.073 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.630 0.906 8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.344 -0.314 12.168 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.623 0.507 9.845 1.00 0.00 H new ATOM 365 N HIS A 22 -3.874 2.183 11.518 1.00 0.00 N ATOM 366 CA HIS A 22 -4.158 3.454 10.871 1.00 0.00 C ATOM 367 C HIS A 22 -4.292 4.557 11.919 1.00 0.00 C ATOM 368 O HIS A 22 -3.506 5.505 11.932 1.00 0.00 O ATOM 369 CB HIS A 22 -5.453 3.347 10.063 1.00 0.00 C ATOM 370 CG HIS A 22 -5.624 4.579 9.219 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.334 4.837 7.902 1.00 0.00 N flip ATOM 372 CD2 HIS A 22 -6.164 5.750 9.725 1.00 0.00 C flip ATOM 373 CE1 HIS A 22 -5.689 6.147 7.594 1.00 0.00 C flip ATOM 374 NE2 HIS A 22 -6.184 6.651 8.728 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.574 1.459 11.353 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.336 3.701 10.200 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.426 2.461 9.429 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.304 3.233 10.734 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.507 5.910 10.737 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.586 6.648 6.643 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.535 7.604 8.825 1.00 0.00 H new ATOM 383 N ASP A 23 -5.280 4.432 12.797 1.00 0.00 N ATOM 384 CA ASP A 23 -5.487 5.434 13.839 1.00 0.00 C ATOM 385 C ASP A 23 -4.215 5.609 14.669 1.00 0.00 C ATOM 386 O ASP A 23 -4.135 6.489 15.526 1.00 0.00 O ATOM 387 CB ASP A 23 -6.645 5.007 14.749 1.00 0.00 C ATOM 388 CG ASP A 23 -7.334 6.235 15.338 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.373 6.342 16.552 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.812 7.049 14.565 1.00 0.00 O ATOM 0 H ASP A 23 -5.944 3.658 12.810 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.732 6.385 13.366 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.363 4.415 14.182 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.271 4.371 15.551 1.00 0.00 H new ATOM 395 N LYS A 24 -3.230 4.757 14.407 1.00 0.00 N ATOM 396 CA LYS A 24 -1.963 4.805 15.128 1.00 0.00 C ATOM 397 C LYS A 24 -0.967 5.745 14.447 1.00 0.00 C ATOM 398 O LYS A 24 -0.742 6.858 14.924 1.00 0.00 O ATOM 399 CB LYS A 24 -1.365 3.390 15.224 1.00 0.00 C ATOM 400 CG LYS A 24 -1.156 3.012 16.696 1.00 0.00 C ATOM 401 CD LYS A 24 -0.091 3.927 17.326 1.00 0.00 C ATOM 402 CE LYS A 24 -0.599 4.473 18.665 1.00 0.00 C ATOM 403 NZ LYS A 24 0.392 5.439 19.217 1.00 0.00 N ATOM 0 H LYS A 24 -3.285 4.024 13.700 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.158 5.190 16.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.030 2.671 14.746 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.415 3.350 14.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.095 3.104 17.241 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.844 1.970 16.772 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.835 3.372 17.477 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.138 4.751 16.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.563 4.963 18.528 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.755 3.655 19.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.047 5.809 20.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.302 4.957 19.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.520 6.226 18.549 1.00 0.00 H new ATOM 417 N TYR A 25 -0.352 5.297 13.356 1.00 0.00 N ATOM 418 CA TYR A 25 0.637 6.125 12.665 1.00 0.00 C ATOM 419 C TYR A 25 0.059 6.765 11.405 1.00 0.00 C ATOM 420 O TYR A 25 -0.231 7.961 11.390 1.00 0.00 O ATOM 421 CB TYR A 25 1.861 5.279 12.306 1.00 0.00 C ATOM 422 CG TYR A 25 2.132 4.297 13.421 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.885 2.931 13.230 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.628 4.753 14.648 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.135 2.023 14.265 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.879 3.844 15.683 1.00 0.00 C ATOM 427 CZ TYR A 25 2.632 2.480 15.492 1.00 0.00 C ATOM 428 OH TYR A 25 2.880 1.584 16.514 1.00 0.00 O ATOM 0 H TYR A 25 -0.515 4.382 12.936 1.00 0.00 H new ATOM 0 HA TYR A 25 0.930 6.929 13.340 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.688 4.747 11.371 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.729 5.921 12.152 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.502 2.579 12.284 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.817 5.806 14.796 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.945 0.970 14.118 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.263 4.196 16.629 1.00 0.00 H new ATOM 0 HH TYR A 25 3.223 2.066 17.296 1.00 0.00 H new ATOM 438 N ILE A 26 -0.093 5.970 10.351 1.00 0.00 N ATOM 439 CA ILE A 26 -0.626 6.480 9.089 1.00 0.00 C ATOM 440 C ILE A 26 -1.713 7.519 9.348 1.00 0.00 C ATOM 441 O ILE A 26 -1.911 8.432 8.546 1.00 0.00 O ATOM 442 CB ILE A 26 -1.191 5.325 8.249 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.038 4.576 7.572 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.135 5.874 7.176 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.915 4.027 8.636 1.00 0.00 C ATOM 0 H ILE A 26 0.143 4.978 10.343 1.00 0.00 H new ATOM 0 HA ILE A 26 0.185 6.956 8.538 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.741 4.646 8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.429 3.760 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.499 5.246 6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.532 5.049 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.957 6.407 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.589 6.557 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.734 3.495 8.151 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.316 4.852 9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.375 3.343 9.290 1.00 0.00 H new ATOM 457 N LYS A 27 -2.406 7.372 10.477 1.00 0.00 N ATOM 458 CA LYS A 27 -3.475 8.297 10.857 1.00 0.00 C ATOM 459 C LYS A 27 -3.981 9.088 9.651 1.00 0.00 C ATOM 460 O LYS A 27 -4.378 8.506 8.642 1.00 0.00 O ATOM 461 CB LYS A 27 -2.970 9.258 11.938 1.00 0.00 C ATOM 462 CG LYS A 27 -4.162 9.899 12.656 1.00 0.00 C ATOM 463 CD LYS A 27 -3.698 11.148 13.410 1.00 0.00 C ATOM 464 CE LYS A 27 -2.670 10.757 14.475 1.00 0.00 C ATOM 465 NZ LYS A 27 -1.329 10.613 13.841 1.00 0.00 N ATOM 0 H LYS A 27 -2.246 6.619 11.146 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.307 7.712 11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.348 8.721 12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.345 10.030 11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.934 10.164 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.606 9.187 13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.260 11.863 12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.551 11.640 13.878 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.635 11.515 15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.962 9.821 14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.056 9.609 13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.366 10.973 12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.628 11.156 14.384 1.00 0.00 H new ATOM 479 N ASP A 28 -3.967 10.414 9.761 1.00 0.00 N ATOM 480 CA ASP A 28 -4.430 11.270 8.670 1.00 0.00 C ATOM 481 C ASP A 28 -3.335 12.239 8.234 1.00 0.00 C ATOM 482 O ASP A 28 -3.334 13.406 8.624 1.00 0.00 O ATOM 483 CB ASP A 28 -5.659 12.061 9.122 1.00 0.00 C ATOM 484 CG ASP A 28 -5.329 12.867 10.373 1.00 0.00 C ATOM 485 OD1 ASP A 28 -6.232 13.487 10.912 1.00 0.00 O ATOM 486 OD2 ASP A 28 -4.177 12.853 10.777 1.00 0.00 O ATOM 0 H ASP A 28 -3.643 10.917 10.587 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.689 10.635 7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.985 12.729 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.485 11.380 9.326 1.00 0.00 H new ATOM 491 N ILE A 29 -2.409 11.749 7.412 1.00 0.00 N ATOM 492 CA ILE A 29 -1.317 12.587 6.917 1.00 0.00 C ATOM 493 C ILE A 29 -1.714 13.217 5.583 1.00 0.00 C ATOM 494 O ILE A 29 -2.896 13.277 5.247 1.00 0.00 O ATOM 495 CB ILE A 29 -0.033 11.752 6.744 1.00 0.00 C ATOM 496 CG1 ILE A 29 -0.277 10.317 7.227 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.105 12.370 7.563 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.002 9.492 7.062 1.00 0.00 C ATOM 0 H ILE A 29 -2.392 10.786 7.077 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.122 13.376 7.644 1.00 0.00 H new ATOM 0 HB ILE A 29 0.241 11.742 5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.585 10.322 8.272 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.089 9.865 6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.009 11.775 7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.289 13.388 7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.827 12.387 8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.825 8.473 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.291 9.475 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.802 9.940 7.651 1.00 0.00 H new ATOM 510 N ASN A 30 -0.725 13.681 4.825 1.00 0.00 N ATOM 511 CA ASN A 30 -1.004 14.298 3.533 1.00 0.00 C ATOM 512 C ASN A 30 0.282 14.523 2.743 1.00 0.00 C ATOM 513 O ASN A 30 0.440 15.555 2.091 1.00 0.00 O ATOM 514 CB ASN A 30 -1.718 15.636 3.736 1.00 0.00 C ATOM 515 CG ASN A 30 -0.962 16.479 4.757 1.00 0.00 C ATOM 516 OD1 ASN A 30 0.226 16.931 4.464 1.00 0.00 O flip ATOM 517 ND2 ASN A 30 -1.468 16.732 5.851 1.00 0.00 N flip ATOM 0 H ASN A 30 0.262 13.643 5.078 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.645 13.622 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.784 16.170 2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.739 15.465 4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.397 16.377 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.958 17.296 6.531 1.00 0.00 H new ATOM 524 N ARG A 31 1.193 13.553 2.793 1.00 0.00 N ATOM 525 CA ARG A 31 2.454 13.669 2.061 1.00 0.00 C ATOM 526 C ARG A 31 2.755 12.381 1.298 1.00 0.00 C ATOM 527 O ARG A 31 3.235 11.398 1.865 1.00 0.00 O ATOM 528 CB ARG A 31 3.604 13.992 3.020 1.00 0.00 C ATOM 529 CG ARG A 31 4.787 14.578 2.235 1.00 0.00 C ATOM 530 CD ARG A 31 4.418 15.951 1.655 1.00 0.00 C ATOM 531 NE ARG A 31 3.402 16.599 2.478 1.00 0.00 N ATOM 532 CZ ARG A 31 3.729 17.259 3.584 1.00 0.00 C ATOM 533 NH1 ARG A 31 4.980 17.340 3.949 1.00 0.00 N ATOM 534 NH2 ARG A 31 2.802 17.826 4.306 1.00 0.00 N ATOM 0 H ARG A 31 1.085 12.689 3.325 1.00 0.00 H new ATOM 0 HA ARG A 31 2.356 14.484 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.270 14.702 3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.916 13.089 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.654 14.674 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.069 13.900 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.306 16.580 1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.049 15.834 0.636 1.00 0.00 H new ATOM 0 HE ARG A 31 2.422 16.544 2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.705 16.897 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.232 17.846 4.798 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.824 17.763 4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.055 18.332 5.155 1.00 0.00 H new ATOM 548 N PHE A 32 2.469 12.415 0.002 1.00 0.00 N ATOM 549 CA PHE A 32 2.696 11.276 -0.879 1.00 0.00 C ATOM 550 C PHE A 32 3.085 11.776 -2.267 1.00 0.00 C ATOM 551 O PHE A 32 2.701 12.876 -2.665 1.00 0.00 O ATOM 552 CB PHE A 32 1.427 10.421 -0.971 1.00 0.00 C ATOM 553 CG PHE A 32 0.428 11.078 -1.899 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.164 12.295 -1.544 1.00 0.00 C ATOM 555 CD2 PHE A 32 0.098 10.467 -3.117 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.088 12.902 -2.405 1.00 0.00 C ATOM 557 CE2 PHE A 32 -0.824 11.074 -3.977 1.00 0.00 C ATOM 558 CZ PHE A 32 -1.417 12.291 -3.621 1.00 0.00 C ATOM 0 H PHE A 32 2.074 13.230 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 32 3.503 10.665 -0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.675 9.425 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.989 10.297 0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.091 12.767 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.555 9.528 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.546 13.841 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.078 10.604 -4.915 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.129 12.759 -4.285 1.00 0.00 H new ATOM 568 N VAL A 33 3.854 10.974 -2.998 1.00 0.00 N ATOM 569 CA VAL A 33 4.288 11.368 -4.334 1.00 0.00 C ATOM 570 C VAL A 33 4.118 10.240 -5.340 1.00 0.00 C ATOM 571 O VAL A 33 4.709 9.166 -5.205 1.00 0.00 O ATOM 572 CB VAL A 33 5.752 11.793 -4.310 1.00 0.00 C ATOM 573 CG1 VAL A 33 5.926 12.976 -3.355 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.623 10.622 -3.842 1.00 0.00 C ATOM 0 H VAL A 33 4.186 10.059 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 33 3.660 12.204 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 33 6.058 12.089 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.973 13.279 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.312 13.810 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.617 12.682 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.669 10.930 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.319 10.320 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.502 9.782 -4.527 1.00 0.00 H new ATOM 584 N PHE A 34 3.296 10.505 -6.350 1.00 0.00 N ATOM 585 CA PHE A 34 3.020 9.535 -7.406 1.00 0.00 C ATOM 586 C PHE A 34 3.402 10.130 -8.759 1.00 0.00 C ATOM 587 O PHE A 34 2.946 11.216 -9.118 1.00 0.00 O ATOM 588 CB PHE A 34 1.524 9.173 -7.393 1.00 0.00 C ATOM 589 CG PHE A 34 1.001 9.027 -8.807 1.00 0.00 C ATOM 590 CD1 PHE A 34 -0.014 9.875 -9.271 1.00 0.00 C ATOM 591 CD2 PHE A 34 1.530 8.043 -9.652 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.498 9.739 -10.578 1.00 0.00 C ATOM 593 CE2 PHE A 34 1.045 7.908 -10.959 1.00 0.00 C ATOM 594 CZ PHE A 34 0.032 8.755 -11.421 1.00 0.00 C ATOM 0 H PHE A 34 2.805 11.392 -6.460 1.00 0.00 H new ATOM 0 HA PHE A 34 3.607 8.633 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.374 8.242 -6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.961 9.946 -6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.423 10.634 -8.620 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.312 7.389 -9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.280 10.393 -10.935 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.453 7.150 -11.611 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.341 8.650 -12.429 1.00 0.00 H new ATOM 604 N LYS A 35 4.233 9.411 -9.504 1.00 0.00 N ATOM 605 CA LYS A 35 4.667 9.875 -10.820 1.00 0.00 C ATOM 606 C LYS A 35 4.254 8.876 -11.892 1.00 0.00 C ATOM 607 O LYS A 35 3.536 9.223 -12.830 1.00 0.00 O ATOM 608 CB LYS A 35 6.188 10.051 -10.841 1.00 0.00 C ATOM 609 CG LYS A 35 6.604 10.814 -12.107 1.00 0.00 C ATOM 610 CD LYS A 35 6.477 12.329 -11.875 1.00 0.00 C ATOM 611 CE LYS A 35 7.835 12.908 -11.466 1.00 0.00 C ATOM 612 NZ LYS A 35 8.668 13.125 -12.683 1.00 0.00 N ATOM 0 H LYS A 35 4.619 8.510 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 35 4.192 10.835 -11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.513 10.595 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.677 9.077 -10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.631 10.563 -12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.976 10.513 -12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.122 12.817 -12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.739 12.526 -11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.696 13.849 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.342 12.227 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.590 13.518 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.811 12.218 -13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.185 13.790 -13.320 1.00 0.00 H new ATOM 626 N ASN A 36 4.712 7.638 -11.743 1.00 0.00 N ATOM 627 CA ASN A 36 4.391 6.584 -12.700 1.00 0.00 C ATOM 628 C ASN A 36 5.326 5.396 -12.512 1.00 0.00 C ATOM 629 O ASN A 36 5.005 4.273 -12.898 1.00 0.00 O ATOM 630 CB ASN A 36 4.524 7.116 -14.132 1.00 0.00 C ATOM 631 CG ASN A 36 4.697 5.963 -15.116 1.00 0.00 C ATOM 632 OD1 ASN A 36 5.685 5.913 -15.848 1.00 0.00 O ATOM 633 ND2 ASN A 36 3.791 5.026 -15.175 1.00 0.00 N ATOM 0 H ASN A 36 5.306 7.339 -10.970 1.00 0.00 H new ATOM 0 HA ASN A 36 3.364 6.261 -12.527 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.639 7.696 -14.394 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.378 7.790 -14.198 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.901 4.251 -15.828 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.973 5.069 -14.568 1.00 0.00 H new ATOM 640 N ASN A 37 6.491 5.656 -11.927 1.00 0.00 N ATOM 641 CA ASN A 37 7.473 4.602 -11.707 1.00 0.00 C ATOM 642 C ASN A 37 7.343 4.010 -10.314 1.00 0.00 C ATOM 643 O ASN A 37 7.406 2.794 -10.140 1.00 0.00 O ATOM 644 CB ASN A 37 8.886 5.160 -11.899 1.00 0.00 C ATOM 645 CG ASN A 37 9.870 4.019 -12.135 1.00 0.00 C ATOM 646 OD1 ASN A 37 9.782 2.933 -11.417 1.00 0.00 O flip ATOM 647 ND2 ASN A 37 10.742 4.119 -12.999 1.00 0.00 N flip ATOM 0 H ASN A 37 6.776 6.579 -11.600 1.00 0.00 H new ATOM 0 HA ASN A 37 7.288 3.811 -12.433 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.903 5.847 -12.745 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.183 5.731 -11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.810 4.969 -13.559 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.397 3.352 -13.154 1.00 0.00 H new ATOM 654 N VAL A 38 7.178 4.874 -9.327 1.00 0.00 N ATOM 655 CA VAL A 38 7.060 4.423 -7.941 1.00 0.00 C ATOM 656 C VAL A 38 6.217 5.385 -7.109 1.00 0.00 C ATOM 657 O VAL A 38 5.971 6.524 -7.506 1.00 0.00 O ATOM 658 CB VAL A 38 8.454 4.315 -7.312 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.341 3.709 -5.910 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.346 3.426 -8.181 1.00 0.00 C ATOM 0 H VAL A 38 7.122 5.885 -9.452 1.00 0.00 H new ATOM 0 HA VAL A 38 6.570 3.450 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 38 8.893 5.310 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.333 3.633 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.712 4.346 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.897 2.716 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.336 3.352 -7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.906 2.432 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.433 3.860 -9.177 1.00 0.00 H new ATOM 670 N LEU A 39 5.791 4.910 -5.940 1.00 0.00 N ATOM 671 CA LEU A 39 4.987 5.715 -5.024 1.00 0.00 C ATOM 672 C LEU A 39 5.634 5.715 -3.640 1.00 0.00 C ATOM 673 O LEU A 39 5.902 4.653 -3.079 1.00 0.00 O ATOM 674 CB LEU A 39 3.569 5.130 -4.919 1.00 0.00 C ATOM 675 CG LEU A 39 2.623 5.840 -5.895 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.862 5.337 -7.323 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.174 5.550 -5.494 1.00 0.00 C ATOM 0 H LEU A 39 5.991 3.968 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 39 4.930 6.735 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.592 4.062 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.199 5.239 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 39 2.813 6.913 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.185 5.848 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.893 5.541 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.679 4.263 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.498 6.053 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.995 4.475 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.996 5.915 -4.482 1.00 0.00 H new ATOM 689 N LEU A 40 5.886 6.904 -3.092 1.00 0.00 N ATOM 690 CA LEU A 40 6.504 7.005 -1.767 1.00 0.00 C ATOM 691 C LEU A 40 5.579 7.746 -0.806 1.00 0.00 C ATOM 692 O LEU A 40 4.820 8.626 -1.213 1.00 0.00 O ATOM 693 CB LEU A 40 7.856 7.729 -1.874 1.00 0.00 C ATOM 694 CG LEU A 40 8.742 7.400 -0.657 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.215 7.579 -1.043 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.407 8.335 0.521 1.00 0.00 C ATOM 0 H LEU A 40 5.676 7.798 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 40 6.672 6.001 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.363 7.431 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.695 8.805 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 40 8.557 6.370 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.847 7.347 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.460 6.907 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.387 8.610 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.042 8.089 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.581 9.370 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.361 8.209 0.800 1.00 0.00 H new ATOM 708 N ILE A 41 5.640 7.374 0.474 1.00 0.00 N ATOM 709 CA ILE A 41 4.793 8.002 1.489 1.00 0.00 C ATOM 710 C ILE A 41 5.563 8.214 2.794 1.00 0.00 C ATOM 711 O ILE A 41 6.306 7.337 3.245 1.00 0.00 O ATOM 712 CB ILE A 41 3.566 7.123 1.760 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.621 7.172 0.556 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.828 7.633 3.001 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.551 6.090 0.701 1.00 0.00 C ATOM 0 H ILE A 41 6.261 6.648 0.830 1.00 0.00 H new ATOM 0 HA ILE A 41 4.476 8.974 1.111 1.00 0.00 H new ATOM 0 HB ILE A 41 3.893 6.097 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.153 8.154 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.182 7.022 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.957 7.006 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.495 7.596 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.506 8.661 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.879 6.126 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.028 5.111 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.982 6.261 1.615 1.00 0.00 H new ATOM 727 N LEU A 42 5.380 9.389 3.391 1.00 0.00 N ATOM 728 CA LEU A 42 6.055 9.718 4.643 1.00 0.00 C ATOM 729 C LEU A 42 5.667 8.738 5.746 1.00 0.00 C ATOM 730 O LEU A 42 4.508 8.339 5.862 1.00 0.00 O ATOM 731 CB LEU A 42 5.686 11.143 5.075 1.00 0.00 C ATOM 732 CG LEU A 42 6.534 12.168 4.312 1.00 0.00 C ATOM 733 CD1 LEU A 42 7.986 12.131 4.806 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.496 11.854 2.812 1.00 0.00 C ATOM 0 H LEU A 42 4.773 10.125 3.030 1.00 0.00 H new ATOM 0 HA LEU A 42 7.130 9.649 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.628 11.325 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.843 11.257 6.148 1.00 0.00 H new ATOM 0 HG LEU A 42 6.125 13.163 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.576 12.864 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.015 12.367 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.400 11.136 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.099 12.584 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.895 10.854 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.467 11.900 2.457 1.00 0.00 H new ATOM 746 N LEU A 43 6.650 8.358 6.554 1.00 0.00 N ATOM 747 CA LEU A 43 6.422 7.425 7.653 1.00 0.00 C ATOM 748 C LEU A 43 7.549 7.533 8.684 1.00 0.00 C ATOM 749 O LEU A 43 8.709 7.257 8.380 1.00 0.00 O ATOM 750 CB LEU A 43 6.341 6.004 7.097 1.00 0.00 C ATOM 751 CG LEU A 43 5.911 5.027 8.195 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.442 5.267 8.567 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.077 3.595 7.676 1.00 0.00 C ATOM 0 H LEU A 43 7.614 8.681 6.469 1.00 0.00 H new ATOM 0 HA LEU A 43 5.483 7.671 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.630 5.969 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.310 5.707 6.696 1.00 0.00 H new ATOM 0 HG LEU A 43 6.529 5.180 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.146 4.567 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.320 6.288 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.815 5.116 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.774 2.890 8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.455 3.454 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.121 3.421 7.416 1.00 0.00 H new ATOM 765 N GLU A 44 7.203 7.960 9.898 1.00 0.00 N ATOM 766 CA GLU A 44 8.198 8.131 10.959 1.00 0.00 C ATOM 767 C GLU A 44 8.426 6.839 11.749 1.00 0.00 C ATOM 768 O GLU A 44 9.490 6.229 11.657 1.00 0.00 O ATOM 769 CB GLU A 44 7.749 9.247 11.915 1.00 0.00 C ATOM 770 CG GLU A 44 6.221 9.354 11.902 1.00 0.00 C ATOM 771 CD GLU A 44 5.757 10.104 10.658 1.00 0.00 C ATOM 772 OE1 GLU A 44 6.594 10.387 9.815 1.00 0.00 O ATOM 773 OE2 GLU A 44 4.574 10.384 10.565 1.00 0.00 O ATOM 0 H GLU A 44 6.248 8.193 10.171 1.00 0.00 H new ATOM 0 HA GLU A 44 9.142 8.400 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.100 9.037 12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.192 10.196 11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.779 8.358 11.921 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.878 9.872 12.797 1.00 0.00 H new ATOM 780 N ASN A 45 7.432 6.445 12.543 1.00 0.00 N ATOM 781 CA ASN A 45 7.541 5.238 13.367 1.00 0.00 C ATOM 782 C ASN A 45 8.395 4.167 12.687 1.00 0.00 C ATOM 783 O ASN A 45 7.891 3.369 11.896 1.00 0.00 O ATOM 784 CB ASN A 45 6.144 4.676 13.652 1.00 0.00 C ATOM 785 CG ASN A 45 5.480 5.473 14.772 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.353 4.981 15.893 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.050 6.681 14.533 1.00 0.00 N ATOM 0 H ASN A 45 6.545 6.940 12.635 1.00 0.00 H new ATOM 0 HA ASN A 45 8.028 5.515 14.302 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.533 4.722 12.750 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.216 3.626 13.935 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.607 7.221 15.276 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.157 7.086 13.603 1.00 0.00 H new ATOM 794 N GLU A 46 9.689 4.158 13.009 1.00 0.00 N ATOM 795 CA GLU A 46 10.615 3.191 12.438 1.00 0.00 C ATOM 796 C GLU A 46 9.996 1.793 12.400 1.00 0.00 C ATOM 797 O GLU A 46 10.280 1.002 11.499 1.00 0.00 O ATOM 798 CB GLU A 46 11.909 3.187 13.264 1.00 0.00 C ATOM 799 CG GLU A 46 11.846 2.114 14.358 1.00 0.00 C ATOM 800 CD GLU A 46 12.947 2.356 15.386 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.833 3.145 15.102 1.00 0.00 O ATOM 802 OE2 GLU A 46 12.888 1.748 16.441 1.00 0.00 O ATOM 0 H GLU A 46 10.116 4.813 13.664 1.00 0.00 H new ATOM 0 HA GLU A 46 10.840 3.477 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.763 3.000 12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.062 4.167 13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.871 2.135 14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.960 1.124 13.916 1.00 0.00 H new ATOM 809 N PHE A 47 9.141 1.497 13.371 1.00 0.00 N ATOM 810 CA PHE A 47 8.488 0.196 13.415 1.00 0.00 C ATOM 811 C PHE A 47 7.537 0.052 12.233 1.00 0.00 C ATOM 812 O PHE A 47 7.741 -0.787 11.355 1.00 0.00 O ATOM 813 CB PHE A 47 7.713 0.041 14.725 1.00 0.00 C ATOM 814 CG PHE A 47 8.650 0.237 15.892 1.00 0.00 C ATOM 815 CD1 PHE A 47 8.766 1.495 16.493 1.00 0.00 C ATOM 816 CD2 PHE A 47 9.405 -0.841 16.373 1.00 0.00 C ATOM 817 CE1 PHE A 47 9.636 1.678 17.576 1.00 0.00 C ATOM 818 CE2 PHE A 47 10.274 -0.659 17.455 1.00 0.00 C ATOM 819 CZ PHE A 47 10.390 0.600 18.056 1.00 0.00 C ATOM 0 H PHE A 47 8.886 2.131 14.129 1.00 0.00 H new ATOM 0 HA PHE A 47 9.249 -0.582 13.359 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.903 0.769 14.769 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.256 -0.947 14.774 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.184 2.326 16.122 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.316 -1.812 15.909 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.725 2.649 18.040 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.855 -1.490 17.826 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.061 0.740 18.890 1.00 0.00 H new ATOM 829 N ALA A 48 6.490 0.872 12.224 1.00 0.00 N ATOM 830 CA ALA A 48 5.500 0.834 11.154 1.00 0.00 C ATOM 831 C ALA A 48 6.161 0.626 9.793 1.00 0.00 C ATOM 832 O ALA A 48 5.576 0.014 8.900 1.00 0.00 O ATOM 833 CB ALA A 48 4.708 2.142 11.137 1.00 0.00 C ATOM 0 H ALA A 48 6.306 1.570 12.945 1.00 0.00 H new ATOM 0 HA ALA A 48 4.831 -0.005 11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.969 2.110 10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.201 2.273 12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.388 2.977 10.970 1.00 0.00 H new ATOM 839 N ARG A 49 7.383 1.133 9.638 1.00 0.00 N ATOM 840 CA ARG A 49 8.096 0.985 8.371 1.00 0.00 C ATOM 841 C ARG A 49 8.705 -0.409 8.266 1.00 0.00 C ATOM 842 O ARG A 49 8.821 -0.964 7.173 1.00 0.00 O ATOM 843 CB ARG A 49 9.207 2.040 8.236 1.00 0.00 C ATOM 844 CG ARG A 49 9.050 3.114 9.306 1.00 0.00 C ATOM 845 CD ARG A 49 10.063 4.231 9.054 1.00 0.00 C ATOM 846 NE ARG A 49 11.418 3.691 9.050 1.00 0.00 N ATOM 847 CZ ARG A 49 12.472 4.475 9.255 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.305 5.752 9.461 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.673 3.966 9.251 1.00 0.00 N ATOM 0 H ARG A 49 7.893 1.641 10.360 1.00 0.00 H new ATOM 0 HA ARG A 49 7.377 1.129 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.183 1.564 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.168 2.495 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.037 3.516 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.205 2.683 10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.853 4.713 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.971 4.996 9.825 1.00 0.00 H new ATOM 0 HE ARG A 49 11.559 2.694 8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.366 6.149 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.114 6.353 9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.803 2.967 9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.482 4.567 9.408 1.00 0.00 H new ATOM 863 N ASN A 50 9.096 -0.971 9.406 1.00 0.00 N ATOM 864 CA ASN A 50 9.694 -2.299 9.415 1.00 0.00 C ATOM 865 C ASN A 50 8.727 -3.310 8.809 1.00 0.00 C ATOM 866 O ASN A 50 9.051 -4.025 7.861 1.00 0.00 O ATOM 867 CB ASN A 50 10.023 -2.709 10.852 1.00 0.00 C ATOM 868 CG ASN A 50 10.928 -3.938 10.852 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.290 -4.468 9.717 1.00 0.00 O flip ATOM 870 ND2 ASN A 50 11.313 -4.426 11.913 1.00 0.00 N flip ATOM 0 H ASN A 50 9.011 -0.533 10.323 1.00 0.00 H new ATOM 0 HA ASN A 50 10.610 -2.278 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.515 -1.886 11.370 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.104 -2.925 11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.028 -4.009 12.799 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.917 -5.248 11.907 1.00 0.00 H new ATOM 877 N SER A 51 7.528 -3.342 9.387 1.00 0.00 N ATOM 878 CA SER A 51 6.462 -4.241 8.953 1.00 0.00 C ATOM 879 C SER A 51 5.972 -3.899 7.548 1.00 0.00 C ATOM 880 O SER A 51 5.919 -4.761 6.668 1.00 0.00 O ATOM 881 CB SER A 51 5.288 -4.123 9.929 1.00 0.00 C ATOM 882 OG SER A 51 4.683 -5.400 10.093 1.00 0.00 O ATOM 0 H SER A 51 7.268 -2.744 10.171 1.00 0.00 H new ATOM 0 HA SER A 51 6.858 -5.256 8.937 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.636 -3.747 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.557 -3.407 9.552 1.00 0.00 H new ATOM 0 HG SER A 51 3.932 -5.328 10.719 1.00 0.00 H new ATOM 888 N LEU A 52 5.604 -2.641 7.347 1.00 0.00 N ATOM 889 CA LEU A 52 5.105 -2.202 6.050 1.00 0.00 C ATOM 890 C LEU A 52 6.030 -2.669 4.932 1.00 0.00 C ATOM 891 O LEU A 52 5.582 -3.267 3.954 1.00 0.00 O ATOM 892 CB LEU A 52 4.987 -0.674 6.024 1.00 0.00 C ATOM 893 CG LEU A 52 3.663 -0.245 6.671 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.656 1.274 6.852 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.478 -0.660 5.781 1.00 0.00 C ATOM 0 H LEU A 52 5.641 -1.911 8.059 1.00 0.00 H new ATOM 0 HA LEU A 52 4.120 -2.642 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.825 -0.226 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.034 -0.314 4.996 1.00 0.00 H new ATOM 0 HG LEU A 52 3.566 -0.733 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.717 1.581 7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.487 1.568 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.760 1.757 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.544 -0.350 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.570 -0.181 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.479 -1.743 5.655 1.00 0.00 H new ATOM 907 N ASN A 53 7.320 -2.387 5.078 1.00 0.00 N ATOM 908 CA ASN A 53 8.287 -2.785 4.063 1.00 0.00 C ATOM 909 C ASN A 53 8.514 -4.292 4.099 1.00 0.00 C ATOM 910 O ASN A 53 9.088 -4.861 3.170 1.00 0.00 O ATOM 911 CB ASN A 53 9.612 -2.049 4.267 1.00 0.00 C ATOM 912 CG ASN A 53 10.463 -2.141 3.003 1.00 0.00 C ATOM 913 OD1 ASN A 53 11.245 -3.171 2.829 1.00 0.00 O flip ATOM 914 ND2 ASN A 53 10.412 -1.252 2.154 1.00 0.00 N flip ATOM 0 H ASN A 53 7.716 -1.892 5.877 1.00 0.00 H new ATOM 0 HA ASN A 53 7.884 -2.517 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.422 -1.004 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.151 -2.481 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.800 -0.448 2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.982 -1.319 1.311 1.00 0.00 H new ATOM 921 N ASP A 54 8.042 -4.942 5.159 1.00 0.00 N ATOM 922 CA ASP A 54 8.190 -6.389 5.266 1.00 0.00 C ATOM 923 C ASP A 54 7.251 -7.059 4.272 1.00 0.00 C ATOM 924 O ASP A 54 7.528 -8.143 3.757 1.00 0.00 O ATOM 925 CB ASP A 54 7.859 -6.856 6.686 1.00 0.00 C ATOM 926 CG ASP A 54 8.443 -8.245 6.926 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.573 -8.469 6.522 1.00 0.00 O ATOM 928 OD2 ASP A 54 7.752 -9.064 7.508 1.00 0.00 O ATOM 0 H ASP A 54 7.562 -4.499 5.943 1.00 0.00 H new ATOM 0 HA ASP A 54 9.222 -6.662 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.263 -6.152 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.779 -6.877 6.829 1.00 0.00 H new ATOM 933 N ASN A 55 6.136 -6.382 4.010 1.00 0.00 N ATOM 934 CA ASN A 55 5.133 -6.877 3.073 1.00 0.00 C ATOM 935 C ASN A 55 4.395 -5.700 2.440 1.00 0.00 C ATOM 936 O ASN A 55 3.170 -5.605 2.519 1.00 0.00 O ATOM 937 CB ASN A 55 4.136 -7.781 3.801 1.00 0.00 C ATOM 938 CG ASN A 55 3.058 -8.256 2.832 1.00 0.00 C ATOM 939 OD1 ASN A 55 1.868 -8.084 3.092 1.00 0.00 O ATOM 940 ND2 ASN A 55 3.407 -8.849 1.722 1.00 0.00 N ATOM 0 H ASN A 55 5.904 -5.485 4.436 1.00 0.00 H new ATOM 0 HA ASN A 55 5.630 -7.453 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.655 -8.639 4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.679 -7.239 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.692 -9.170 1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.394 -8.991 1.508 1.00 0.00 H new ATOM 947 N SER A 56 5.156 -4.803 1.818 1.00 0.00 N ATOM 948 CA SER A 56 4.579 -3.625 1.179 1.00 0.00 C ATOM 949 C SER A 56 3.859 -4.007 -0.106 1.00 0.00 C ATOM 950 O SER A 56 4.026 -3.361 -1.141 1.00 0.00 O ATOM 951 CB SER A 56 5.678 -2.609 0.865 1.00 0.00 C ATOM 952 OG SER A 56 6.767 -3.275 0.237 1.00 0.00 O ATOM 0 H SER A 56 6.171 -4.870 1.743 1.00 0.00 H new ATOM 0 HA SER A 56 3.859 -3.182 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.290 -1.826 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.013 -2.123 1.781 1.00 0.00 H new ATOM 0 HG SER A 56 7.473 -2.627 0.033 1.00 0.00 H new ATOM 958 N GLU A 57 3.049 -5.054 -0.030 1.00 0.00 N ATOM 959 CA GLU A 57 2.296 -5.511 -1.191 1.00 0.00 C ATOM 960 C GLU A 57 1.194 -4.510 -1.534 1.00 0.00 C ATOM 961 O GLU A 57 0.240 -4.845 -2.233 1.00 0.00 O ATOM 962 CB GLU A 57 1.673 -6.885 -0.899 1.00 0.00 C ATOM 963 CG GLU A 57 2.126 -7.900 -1.954 1.00 0.00 C ATOM 964 CD GLU A 57 3.622 -8.165 -1.813 1.00 0.00 C ATOM 965 OE1 GLU A 57 3.981 -8.996 -0.995 1.00 0.00 O ATOM 966 OE2 GLU A 57 4.385 -7.533 -2.525 1.00 0.00 O ATOM 0 H GLU A 57 2.897 -5.600 0.818 1.00 0.00 H new ATOM 0 HA GLU A 57 2.975 -5.594 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.968 -7.224 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.586 -6.808 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.571 -8.831 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.908 -7.521 -2.953 1.00 0.00 H new ATOM 973 N ILE A 58 1.325 -3.288 -1.030 1.00 0.00 N ATOM 974 CA ILE A 58 0.322 -2.258 -1.281 1.00 0.00 C ATOM 975 C ILE A 58 -0.009 -2.158 -2.771 1.00 0.00 C ATOM 976 O ILE A 58 -0.905 -1.410 -3.167 1.00 0.00 O ATOM 977 CB ILE A 58 0.812 -0.905 -0.758 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.276 -1.049 0.697 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.318 0.126 -0.836 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.175 -1.703 1.538 1.00 0.00 C ATOM 0 H ILE A 58 2.108 -2.987 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.588 -2.538 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 58 1.647 -0.568 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.183 -1.651 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.524 -0.070 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.039 1.086 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.639 0.237 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.159 -0.210 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.514 -1.801 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.722 -1.084 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.052 -2.690 1.136 1.00 0.00 H new ATOM 992 N ILE A 59 0.703 -2.923 -3.592 1.00 0.00 N ATOM 993 CA ILE A 59 0.461 -2.917 -5.031 1.00 0.00 C ATOM 994 C ILE A 59 -0.607 -3.952 -5.394 1.00 0.00 C ATOM 995 O ILE A 59 -1.314 -3.805 -6.389 1.00 0.00 O ATOM 996 CB ILE A 59 1.765 -3.223 -5.774 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.464 -3.571 -7.235 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.470 -4.404 -5.105 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.759 -3.528 -8.047 1.00 0.00 C ATOM 0 H ILE A 59 1.447 -3.551 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 59 0.103 -1.931 -5.327 1.00 0.00 H new ATOM 0 HB ILE A 59 2.410 -2.345 -5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.015 -4.562 -7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.741 -2.867 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.398 -4.621 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.694 -4.154 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.821 -5.280 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.545 -3.776 -9.087 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.189 -2.528 -7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.467 -4.250 -7.641 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.722 -4.992 -4.572 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.711 -6.045 -4.803 1.00 0.00 C ATOM 1013 C HIS A 60 -3.128 -5.484 -4.819 1.00 0.00 C ATOM 1014 O HIS A 60 -4.062 -6.171 -5.235 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.567 -7.152 -3.754 1.00 0.00 C ATOM 1016 CG HIS A 60 -2.228 -6.779 -2.456 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -1.651 -5.894 -1.561 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -3.390 -7.209 -1.863 1.00 0.00 C ATOM 1019 CE1 HIS A 60 -2.453 -5.822 -0.485 1.00 0.00 C ATOM 1020 NE2 HIS A 60 -3.529 -6.603 -0.617 1.00 0.00 N ATOM 0 H HIS A 60 -0.145 -5.129 -3.742 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.522 -6.476 -5.786 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.007 -8.073 -4.135 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.510 -7.352 -3.579 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -0.775 -5.388 -1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.088 -7.909 -2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.252 -5.208 0.380 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.286 -4.230 -4.419 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.602 -3.585 -4.450 1.00 0.00 C ATOM 1031 C LEU A 61 -4.529 -2.337 -5.323 1.00 0.00 C ATOM 1032 O LEU A 61 -5.376 -2.118 -6.189 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.072 -3.193 -3.040 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.214 -3.894 -1.985 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -2.864 -3.177 -1.837 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -4.953 -3.883 -0.643 1.00 0.00 C ATOM 0 H LEU A 61 -2.531 -3.639 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.320 -4.295 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.006 -2.112 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.119 -3.466 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.033 -4.923 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.263 -3.685 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.338 -3.191 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.032 -2.144 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.345 -4.382 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.137 -2.853 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.903 -4.406 -0.747 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.507 -1.522 -5.080 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.322 -0.292 -5.838 1.00 0.00 C ATOM 1050 C ALA A 62 -3.018 -0.589 -7.303 1.00 0.00 C ATOM 1051 O ALA A 62 -2.712 0.320 -8.074 1.00 0.00 O ATOM 1052 CB ALA A 62 -2.179 0.525 -5.236 1.00 0.00 C ATOM 0 H ALA A 62 -2.798 -1.691 -4.367 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.249 0.279 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.047 1.443 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.415 0.773 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.259 -0.058 -5.268 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.107 -1.858 -7.691 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.838 -2.237 -9.076 1.00 0.00 C ATOM 1060 C GLU A 63 -4.092 -2.066 -9.927 1.00 0.00 C ATOM 1061 O GLU A 63 -4.057 -2.252 -11.144 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.371 -3.693 -9.146 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.377 -4.590 -8.421 1.00 0.00 C ATOM 1064 CD GLU A 63 -3.025 -6.057 -8.645 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -1.867 -6.401 -8.475 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -3.919 -6.815 -8.985 1.00 0.00 O ATOM 0 H GLU A 63 -3.360 -2.632 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.052 -1.587 -9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.274 -4.005 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.386 -3.792 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.374 -4.366 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.384 -4.389 -8.786 1.00 0.00 H new ATOM 1073 N SER A 64 -5.199 -1.715 -9.280 1.00 0.00 N ATOM 1074 CA SER A 64 -6.462 -1.526 -9.987 1.00 0.00 C ATOM 1075 C SER A 64 -6.623 -0.072 -10.421 1.00 0.00 C ATOM 1076 O SER A 64 -6.617 0.233 -11.612 1.00 0.00 O ATOM 1077 CB SER A 64 -7.631 -1.924 -9.085 1.00 0.00 C ATOM 1078 OG SER A 64 -7.453 -3.264 -8.649 1.00 0.00 O ATOM 0 H SER A 64 -5.248 -1.556 -8.274 1.00 0.00 H new ATOM 0 HA SER A 64 -6.457 -2.159 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.687 -1.255 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.572 -1.828 -9.626 1.00 0.00 H new ATOM 0 HG SER A 64 -8.200 -3.521 -8.069 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.767 0.820 -9.446 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.930 2.238 -9.746 1.00 0.00 C ATOM 1086 C LEU A 65 -5.841 2.703 -10.706 1.00 0.00 C ATOM 1087 O LEU A 65 -6.010 3.690 -11.422 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.863 3.057 -8.454 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.063 4.545 -8.765 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.426 4.761 -9.437 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -7.004 5.344 -7.462 1.00 0.00 C ATOM 0 H LEU A 65 -6.774 0.590 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.903 2.386 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.629 2.716 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.900 2.905 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.276 4.881 -9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.560 5.821 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.468 4.192 -10.365 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.219 4.424 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.146 6.403 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.791 5.002 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.033 5.197 -6.989 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.719 1.992 -10.703 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.593 2.338 -11.565 1.00 0.00 C ATOM 1105 C TYR A 66 -3.310 1.208 -12.550 1.00 0.00 C ATOM 1106 O TYR A 66 -3.536 0.036 -12.246 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.347 2.570 -10.709 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.484 3.849 -9.916 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -1.965 5.046 -10.426 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.116 3.836 -8.666 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.080 6.230 -9.686 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.232 5.020 -7.927 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.713 6.217 -8.437 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.826 7.383 -7.709 1.00 0.00 O ATOM 0 H TYR A 66 -4.564 1.173 -10.114 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.844 3.243 -12.118 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.201 1.728 -10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.464 2.623 -11.347 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.476 5.056 -11.389 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.514 2.913 -8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.680 7.153 -10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.721 5.010 -6.964 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.877 8.147 -8.321 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.815 1.567 -13.729 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.506 0.575 -14.752 1.00 0.00 C ATOM 1126 C GLU A 67 -1.757 -0.606 -14.143 1.00 0.00 C ATOM 1127 O GLU A 67 -2.243 -1.737 -14.158 1.00 0.00 O ATOM 1128 CB GLU A 67 -1.653 1.207 -15.854 1.00 0.00 C ATOM 1129 CG GLU A 67 -2.494 2.218 -16.635 1.00 0.00 C ATOM 1130 CD GLU A 67 -1.707 2.735 -17.834 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -1.172 1.917 -18.564 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -1.652 3.942 -18.006 1.00 0.00 O ATOM 0 H GLU A 67 -2.620 2.531 -13.999 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.443 0.218 -15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.784 1.700 -15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.277 0.435 -16.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.420 1.751 -16.971 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.773 3.049 -15.987 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.571 -0.335 -13.606 1.00 0.00 N ATOM 1140 CA GLY A 68 0.236 -1.384 -12.995 1.00 0.00 C ATOM 1141 C GLY A 68 1.412 -0.791 -12.226 1.00 0.00 C ATOM 1142 O GLY A 68 2.529 -0.719 -12.739 1.00 0.00 O ATOM 0 H GLY A 68 -0.151 0.594 -13.582 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.382 -1.977 -12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.605 -2.060 -13.767 1.00 0.00 H new ATOM 1146 N ILE A 69 1.154 -0.365 -10.994 1.00 0.00 N ATOM 1147 CA ILE A 69 2.200 0.220 -10.162 1.00 0.00 C ATOM 1148 C ILE A 69 3.415 -0.697 -10.113 1.00 0.00 C ATOM 1149 O ILE A 69 3.294 -1.912 -10.270 1.00 0.00 O ATOM 1150 CB ILE A 69 1.675 0.442 -8.740 1.00 0.00 C ATOM 1151 CG1 ILE A 69 0.424 1.333 -8.782 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.762 1.108 -7.888 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.824 2.813 -8.784 1.00 0.00 C ATOM 0 H ILE A 69 0.236 -0.413 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 69 2.492 1.176 -10.597 1.00 0.00 H new ATOM 0 HB ILE A 69 1.413 -0.519 -8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.162 1.107 -9.673 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.210 1.122 -7.921 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.386 1.265 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.641 0.465 -7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.032 2.068 -8.328 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.073 3.432 -8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.390 3.038 -7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.439 3.023 -9.659 1.00 0.00 H new ATOM 1165 N LYS A 70 4.587 -0.111 -9.889 1.00 0.00 N ATOM 1166 CA LYS A 70 5.815 -0.891 -9.813 1.00 0.00 C ATOM 1167 C LYS A 70 6.041 -1.378 -8.386 1.00 0.00 C ATOM 1168 O LYS A 70 6.528 -2.487 -8.168 1.00 0.00 O ATOM 1169 CB LYS A 70 7.008 -0.038 -10.266 1.00 0.00 C ATOM 1170 CG LYS A 70 8.150 -0.949 -10.739 1.00 0.00 C ATOM 1171 CD LYS A 70 7.955 -1.301 -12.218 1.00 0.00 C ATOM 1172 CE LYS A 70 9.139 -2.139 -12.706 1.00 0.00 C ATOM 1173 NZ LYS A 70 10.285 -1.241 -13.022 1.00 0.00 N ATOM 0 H LYS A 70 4.711 0.893 -9.758 1.00 0.00 H new ATOM 0 HA LYS A 70 5.723 -1.755 -10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.704 0.629 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.349 0.591 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.108 -0.449 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.174 -1.859 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.025 -1.854 -12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.872 -0.390 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.428 -2.860 -11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.855 -2.709 -13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.073 -1.804 -13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.990 -0.537 -13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.593 -0.754 -12.156 1.00 0.00 H new ATOM 1187 N SER A 71 5.677 -0.540 -7.419 1.00 0.00 N ATOM 1188 CA SER A 71 5.837 -0.892 -6.013 1.00 0.00 C ATOM 1189 C SER A 71 5.422 0.274 -5.116 1.00 0.00 C ATOM 1190 O SER A 71 4.933 1.298 -5.594 1.00 0.00 O ATOM 1191 CB SER A 71 7.295 -1.265 -5.731 1.00 0.00 C ATOM 1192 OG SER A 71 7.501 -2.634 -6.058 1.00 0.00 O ATOM 0 H SER A 71 5.272 0.382 -7.582 1.00 0.00 H new ATOM 0 HA SER A 71 5.196 -1.746 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.964 -0.635 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.531 -1.090 -4.681 1.00 0.00 H new ATOM 0 HG SER A 71 6.869 -2.902 -6.757 1.00 0.00 H new ATOM 1198 N VAL A 72 5.636 0.107 -3.815 1.00 0.00 N ATOM 1199 CA VAL A 72 5.301 1.142 -2.839 1.00 0.00 C ATOM 1200 C VAL A 72 6.298 1.096 -1.685 1.00 0.00 C ATOM 1201 O VAL A 72 6.782 0.028 -1.310 1.00 0.00 O ATOM 1202 CB VAL A 72 3.877 0.940 -2.313 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.468 2.137 -1.451 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.907 0.812 -3.492 1.00 0.00 C ATOM 0 H VAL A 72 6.041 -0.737 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 72 5.354 2.117 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 72 3.845 0.032 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.454 1.988 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.153 2.230 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.505 3.047 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.894 0.668 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.945 1.720 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.191 -0.043 -4.106 1.00 0.00 H new ATOM 1214 N ASN A 73 6.620 2.270 -1.144 1.00 0.00 N ATOM 1215 CA ASN A 73 7.587 2.361 -0.054 1.00 0.00 C ATOM 1216 C ASN A 73 7.190 3.424 0.967 1.00 0.00 C ATOM 1217 O ASN A 73 6.406 4.330 0.679 1.00 0.00 O ATOM 1218 CB ASN A 73 8.965 2.706 -0.624 1.00 0.00 C ATOM 1219 CG ASN A 73 10.011 2.676 0.485 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.957 1.743 1.396 1.00 0.00 O flip ATOM 1221 ND2 ASN A 73 10.901 3.526 0.523 1.00 0.00 N flip ATOM 0 H ASN A 73 6.229 3.164 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 73 7.612 1.396 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.232 1.996 -1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.940 3.693 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.941 4.254 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.598 3.502 1.267 1.00 0.00 H new ATOM 1228 N PHE A 74 7.758 3.299 2.163 1.00 0.00 N ATOM 1229 CA PHE A 74 7.498 4.237 3.250 1.00 0.00 C ATOM 1230 C PHE A 74 8.802 4.537 3.979 1.00 0.00 C ATOM 1231 O PHE A 74 9.574 3.625 4.274 1.00 0.00 O ATOM 1232 CB PHE A 74 6.491 3.627 4.226 1.00 0.00 C ATOM 1233 CG PHE A 74 5.188 3.364 3.510 1.00 0.00 C ATOM 1234 CD1 PHE A 74 5.076 2.271 2.642 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.091 4.211 3.714 1.00 0.00 C ATOM 1236 CE1 PHE A 74 3.868 2.026 1.978 1.00 0.00 C ATOM 1237 CE2 PHE A 74 2.884 3.965 3.051 1.00 0.00 C ATOM 1238 CZ PHE A 74 2.771 2.872 2.182 1.00 0.00 C ATOM 0 H PHE A 74 8.407 2.550 2.405 1.00 0.00 H new ATOM 0 HA PHE A 74 7.087 5.161 2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.885 2.698 4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.327 4.303 5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.921 1.617 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.177 5.054 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.782 1.184 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.039 4.618 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.839 2.682 1.670 1.00 0.00 H new ATOM 1248 N VAL A 75 9.058 5.813 4.263 1.00 0.00 N ATOM 1249 CA VAL A 75 10.297 6.183 4.948 1.00 0.00 C ATOM 1250 C VAL A 75 10.095 7.402 5.837 1.00 0.00 C ATOM 1251 O VAL A 75 8.967 7.773 6.145 1.00 0.00 O ATOM 1252 CB VAL A 75 11.392 6.477 3.923 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.518 5.307 2.944 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.039 7.750 3.149 1.00 0.00 C ATOM 0 H VAL A 75 8.441 6.593 4.036 1.00 0.00 H new ATOM 0 HA VAL A 75 10.595 5.344 5.577 1.00 0.00 H new ATOM 0 HB VAL A 75 12.340 6.614 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.300 5.524 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.773 4.400 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.570 5.163 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.820 7.960 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.088 7.611 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.957 8.587 3.843 1.00 0.00 H new ATOM 1264 N ASN A 76 11.203 8.017 6.254 1.00 0.00 N ATOM 1265 CA ASN A 76 11.139 9.192 7.122 1.00 0.00 C ATOM 1266 C ASN A 76 11.395 10.476 6.335 1.00 0.00 C ATOM 1267 O ASN A 76 11.795 10.442 5.172 1.00 0.00 O ATOM 1268 CB ASN A 76 12.168 9.069 8.251 1.00 0.00 C ATOM 1269 CG ASN A 76 13.378 8.271 7.775 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.228 7.167 7.254 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.575 8.768 7.927 1.00 0.00 N ATOM 0 H ASN A 76 12.148 7.723 6.007 1.00 0.00 H new ATOM 0 HA ASN A 76 10.136 9.241 7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.482 10.061 8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.716 8.579 9.113 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.390 8.241 7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.696 9.684 8.359 1.00 0.00 H new ATOM 1278 N GLU A 77 11.139 11.604 6.988 1.00 0.00 N ATOM 1279 CA GLU A 77 11.315 12.915 6.372 1.00 0.00 C ATOM 1280 C GLU A 77 12.548 12.963 5.477 1.00 0.00 C ATOM 1281 O GLU A 77 12.434 13.005 4.251 1.00 0.00 O ATOM 1282 CB GLU A 77 11.436 13.982 7.461 1.00 0.00 C ATOM 1283 CG GLU A 77 10.081 14.168 8.146 1.00 0.00 C ATOM 1284 CD GLU A 77 9.139 14.946 7.234 1.00 0.00 C ATOM 1285 OE1 GLU A 77 9.595 15.885 6.606 1.00 0.00 O ATOM 1286 OE2 GLU A 77 7.973 14.588 7.176 1.00 0.00 O ATOM 0 H GLU A 77 10.806 11.637 7.952 1.00 0.00 H new ATOM 0 HA GLU A 77 10.441 13.108 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.188 13.686 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.768 14.925 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.649 13.196 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.210 14.700 9.088 1.00 0.00 H new ATOM 1293 N GLN A 78 13.725 12.982 6.092 1.00 0.00 N ATOM 1294 CA GLN A 78 14.971 13.056 5.335 1.00 0.00 C ATOM 1295 C GLN A 78 14.967 12.055 4.188 1.00 0.00 C ATOM 1296 O GLN A 78 15.210 12.416 3.036 1.00 0.00 O ATOM 1297 CB GLN A 78 16.161 12.781 6.260 1.00 0.00 C ATOM 1298 CG GLN A 78 17.421 13.446 5.696 1.00 0.00 C ATOM 1299 CD GLN A 78 17.690 12.942 4.282 1.00 0.00 C ATOM 1300 OE1 GLN A 78 17.675 11.660 4.041 1.00 0.00 O flip ATOM 1301 NE2 GLN A 78 17.920 13.739 3.372 1.00 0.00 N flip ATOM 0 H GLN A 78 13.844 12.948 7.104 1.00 0.00 H new ATOM 0 HA GLN A 78 15.061 14.059 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.953 13.164 7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.318 11.707 6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.297 14.529 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 78 18.275 13.228 6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.931 14.741 3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.099 13.397 2.428 1.00 0.00 H new ATOM 1310 N ASP A 79 14.695 10.799 4.509 1.00 0.00 N ATOM 1311 CA ASP A 79 14.669 9.758 3.490 1.00 0.00 C ATOM 1312 C ASP A 79 13.804 10.194 2.310 1.00 0.00 C ATOM 1313 O ASP A 79 14.296 10.338 1.189 1.00 0.00 O ATOM 1314 CB ASP A 79 14.126 8.458 4.080 1.00 0.00 C ATOM 1315 CG ASP A 79 15.198 7.778 4.925 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.485 6.621 4.663 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.716 8.423 5.821 1.00 0.00 O ATOM 0 H ASP A 79 14.491 10.477 5.455 1.00 0.00 H new ATOM 0 HA ASP A 79 15.687 9.590 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.248 8.666 4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.806 7.792 3.279 1.00 0.00 H new ATOM 1322 N PHE A 80 12.516 10.412 2.569 1.00 0.00 N ATOM 1323 CA PHE A 80 11.601 10.843 1.516 1.00 0.00 C ATOM 1324 C PHE A 80 12.276 11.899 0.645 1.00 0.00 C ATOM 1325 O PHE A 80 12.171 11.871 -0.581 1.00 0.00 O ATOM 1326 CB PHE A 80 10.320 11.412 2.142 1.00 0.00 C ATOM 1327 CG PHE A 80 9.647 12.365 1.176 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.284 13.649 1.600 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.388 11.963 -0.139 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.662 14.531 0.708 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.766 12.846 -1.031 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.403 14.129 -0.608 1.00 0.00 C ATOM 0 H PHE A 80 12.087 10.299 3.487 1.00 0.00 H new ATOM 0 HA PHE A 80 11.340 9.987 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.639 10.600 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.559 11.931 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.484 13.959 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.668 10.972 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.382 15.521 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.567 12.536 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.923 14.809 -1.296 1.00 0.00 H new ATOM 1342 N PHE A 81 12.976 12.826 1.292 1.00 0.00 N ATOM 1343 CA PHE A 81 13.673 13.883 0.571 1.00 0.00 C ATOM 1344 C PHE A 81 14.656 13.273 -0.425 1.00 0.00 C ATOM 1345 O PHE A 81 14.491 13.409 -1.636 1.00 0.00 O ATOM 1346 CB PHE A 81 14.419 14.790 1.561 1.00 0.00 C ATOM 1347 CG PHE A 81 14.218 16.241 1.184 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.252 16.955 0.566 1.00 0.00 C ATOM 1349 CD2 PHE A 81 12.996 16.870 1.452 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.065 18.298 0.217 1.00 0.00 C ATOM 1351 CE2 PHE A 81 12.809 18.213 1.103 1.00 0.00 C ATOM 1352 CZ PHE A 81 13.843 18.926 0.486 1.00 0.00 C ATOM 0 H PHE A 81 13.075 12.866 2.306 1.00 0.00 H new ATOM 0 HA PHE A 81 12.944 14.482 0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.055 14.615 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.482 14.549 1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 81 16.194 16.470 0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.198 16.319 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 81 15.863 18.849 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.867 18.699 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.698 19.962 0.217 1.00 0.00 H new ATOM 1362 N PHE A 82 15.679 12.600 0.099 1.00 0.00 N ATOM 1363 CA PHE A 82 16.689 11.969 -0.745 1.00 0.00 C ATOM 1364 C PHE A 82 16.067 11.411 -2.023 1.00 0.00 C ATOM 1365 O PHE A 82 16.701 11.404 -3.078 1.00 0.00 O ATOM 1366 CB PHE A 82 17.371 10.834 0.022 1.00 0.00 C ATOM 1367 CG PHE A 82 18.605 10.391 -0.729 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.856 10.924 -0.397 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.497 9.448 -1.757 1.00 0.00 C ATOM 1370 CE1 PHE A 82 21.000 10.514 -1.094 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.639 9.038 -2.454 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.891 9.570 -2.123 1.00 0.00 C ATOM 0 H PHE A 82 15.829 12.478 1.101 1.00 0.00 H new ATOM 0 HA PHE A 82 17.423 12.727 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.642 11.168 1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.684 9.996 0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.939 11.652 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.532 9.036 -2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.965 10.925 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 82 19.555 8.311 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.772 9.253 -2.661 1.00 0.00 H new ATOM 1382 N ASN A 83 14.828 10.943 -1.922 1.00 0.00 N ATOM 1383 CA ASN A 83 14.139 10.384 -3.081 1.00 0.00 C ATOM 1384 C ASN A 83 13.720 11.491 -4.048 1.00 0.00 C ATOM 1385 O ASN A 83 13.990 11.415 -5.246 1.00 0.00 O ATOM 1386 CB ASN A 83 12.904 9.600 -2.631 1.00 0.00 C ATOM 1387 CG ASN A 83 12.377 8.755 -3.785 1.00 0.00 C ATOM 1388 OD1 ASN A 83 11.923 9.295 -4.794 1.00 0.00 O ATOM 1389 ND2 ASN A 83 12.411 7.453 -3.697 1.00 0.00 N ATOM 0 H ASN A 83 14.284 10.939 -1.059 1.00 0.00 H new ATOM 0 HA ASN A 83 14.827 9.712 -3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.157 8.960 -1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.130 10.288 -2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.061 6.881 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.788 7.008 -2.860 1.00 0.00 H new ATOM 1396 N LEU A 84 13.056 12.515 -3.520 1.00 0.00 N ATOM 1397 CA LEU A 84 12.603 13.630 -4.347 1.00 0.00 C ATOM 1398 C LEU A 84 13.741 14.617 -4.587 1.00 0.00 C ATOM 1399 O LEU A 84 13.666 15.470 -5.470 1.00 0.00 O ATOM 1400 CB LEU A 84 11.425 14.336 -3.659 1.00 0.00 C ATOM 1401 CG LEU A 84 11.938 15.404 -2.676 1.00 0.00 C ATOM 1402 CD1 LEU A 84 12.237 16.720 -3.415 1.00 0.00 C ATOM 1403 CD2 LEU A 84 10.876 15.653 -1.600 1.00 0.00 C ATOM 0 H LEU A 84 12.821 12.597 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 84 12.277 13.243 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.784 14.800 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.816 13.605 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 84 12.858 15.045 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.598 17.463 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.998 16.545 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.327 17.086 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.236 16.409 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.956 16.002 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.679 14.726 -1.061 1.00 0.00 H new ATOM 1415 N ALA A 85 14.792 14.491 -3.786 1.00 0.00 N ATOM 1416 CA ALA A 85 15.947 15.373 -3.904 1.00 0.00 C ATOM 1417 C ALA A 85 16.836 14.951 -5.069 1.00 0.00 C ATOM 1418 O ALA A 85 17.584 15.761 -5.614 1.00 0.00 O ATOM 1419 CB ALA A 85 16.757 15.344 -2.608 1.00 0.00 C ATOM 0 H ALA A 85 14.869 13.789 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 85 15.587 16.385 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.619 16.005 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.132 15.679 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.099 14.327 -2.415 1.00 0.00 H new ATOM 1425 N LYS A 86 16.752 13.679 -5.446 1.00 0.00 N ATOM 1426 CA LYS A 86 17.560 13.172 -6.548 1.00 0.00 C ATOM 1427 C LYS A 86 17.074 13.743 -7.876 1.00 0.00 C ATOM 1428 O LYS A 86 17.711 14.622 -8.456 1.00 0.00 O ATOM 1429 CB LYS A 86 17.492 11.643 -6.594 1.00 0.00 C ATOM 1430 CG LYS A 86 18.619 11.106 -7.487 1.00 0.00 C ATOM 1431 CD LYS A 86 19.925 11.000 -6.681 1.00 0.00 C ATOM 1432 CE LYS A 86 21.111 11.435 -7.550 1.00 0.00 C ATOM 1433 NZ LYS A 86 22.353 11.439 -6.726 1.00 0.00 N ATOM 0 H LYS A 86 16.140 12.988 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 86 18.592 13.483 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.585 11.234 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.524 11.323 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.346 10.128 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.762 11.767 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.865 11.627 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.070 9.975 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.225 10.757 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.930 12.429 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 23.159 11.734 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.242 12.103 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.527 10.483 -6.355 1.00 0.00 H new ATOM 1447 N LEU A 87 15.940 13.240 -8.351 1.00 0.00 N ATOM 1448 CA LEU A 87 15.376 13.708 -9.613 1.00 0.00 C ATOM 1449 C LEU A 87 14.722 15.074 -9.430 1.00 0.00 C ATOM 1450 O LEU A 87 14.259 15.412 -8.340 1.00 0.00 O ATOM 1451 CB LEU A 87 14.339 12.702 -10.126 1.00 0.00 C ATOM 1452 CG LEU A 87 15.042 11.575 -10.887 1.00 0.00 C ATOM 1453 CD1 LEU A 87 15.981 10.823 -9.941 1.00 0.00 C ATOM 1454 CD2 LEU A 87 13.993 10.605 -11.438 1.00 0.00 C ATOM 0 H LEU A 87 15.396 12.513 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 87 16.181 13.799 -10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.773 12.291 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.624 13.203 -10.779 1.00 0.00 H new ATOM 0 HG LEU A 87 15.619 11.998 -11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.480 10.021 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.727 11.512 -9.545 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.406 10.399 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.490 9.801 -11.981 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.418 10.184 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.323 11.138 -12.113 1.00 0.00 H new ATOM 1466 N GLU A 88 14.686 15.856 -10.506 1.00 0.00 N ATOM 1467 CA GLU A 88 14.084 17.185 -10.459 1.00 0.00 C ATOM 1468 C GLU A 88 13.405 17.512 -11.785 1.00 0.00 C ATOM 1469 O GLU A 88 13.713 16.911 -12.815 1.00 0.00 O ATOM 1470 CB GLU A 88 15.158 18.234 -10.162 1.00 0.00 C ATOM 1471 CG GLU A 88 16.014 17.768 -8.982 1.00 0.00 C ATOM 1472 CD GLU A 88 16.966 18.880 -8.557 1.00 0.00 C ATOM 1473 OE1 GLU A 88 17.863 19.191 -9.324 1.00 0.00 O ATOM 1474 OE2 GLU A 88 16.784 19.406 -7.471 1.00 0.00 O ATOM 0 H GLU A 88 15.064 15.594 -11.416 1.00 0.00 H new ATOM 0 HA GLU A 88 13.335 17.197 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.784 18.388 -11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.692 19.192 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.373 17.487 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.581 16.880 -9.262 1.00 0.00 H new ATOM 1481 N GLU A 89 12.480 18.465 -11.751 1.00 0.00 N ATOM 1482 CA GLU A 89 11.764 18.862 -12.957 1.00 0.00 C ATOM 1483 C GLU A 89 12.744 19.266 -14.053 1.00 0.00 C ATOM 1484 O GLU A 89 12.487 19.057 -15.239 1.00 0.00 O ATOM 1485 CB GLU A 89 10.830 20.034 -12.647 1.00 0.00 C ATOM 1486 CG GLU A 89 9.770 19.590 -11.638 1.00 0.00 C ATOM 1487 CD GLU A 89 10.387 19.482 -10.248 1.00 0.00 C ATOM 1488 OE1 GLU A 89 10.709 18.375 -9.848 1.00 0.00 O ATOM 1489 OE2 GLU A 89 10.529 20.507 -9.602 1.00 0.00 O ATOM 0 H GLU A 89 12.210 18.973 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 89 11.177 18.012 -13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.401 20.871 -12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.352 20.384 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.947 20.304 -11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.353 18.628 -11.936 1.00 0.00 H new ATOM 1496 N ASN A 90 13.869 19.848 -13.649 1.00 0.00 N ATOM 1497 CA ASN A 90 14.882 20.278 -14.606 1.00 0.00 C ATOM 1498 C ASN A 90 16.182 20.633 -13.890 1.00 0.00 C ATOM 1499 O ASN A 90 16.350 20.337 -12.707 1.00 0.00 O ATOM 1500 CB ASN A 90 14.378 21.494 -15.386 1.00 0.00 C ATOM 1501 CG ASN A 90 13.806 22.529 -14.424 1.00 0.00 C ATOM 1502 OD1 ASN A 90 14.544 23.540 -14.053 1.00 0.00 O flip ATOM 1503 ND2 ASN A 90 12.657 22.414 -13.998 1.00 0.00 N flip ATOM 0 H ASN A 90 14.101 20.032 -12.673 1.00 0.00 H new ATOM 0 HA ASN A 90 15.075 19.457 -15.296 1.00 0.00 H new ATOM 0 HB2 ASN A 90 15.194 21.932 -15.961 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.614 21.187 -16.100 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.082 21.623 -14.289 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.280 23.109 -13.354 1.00 0.00 H new ATOM 1510 N SER A 91 17.098 21.269 -14.614 1.00 0.00 N ATOM 1511 CA SER A 91 18.381 21.662 -14.039 1.00 0.00 C ATOM 1512 C SER A 91 18.824 23.013 -14.591 1.00 0.00 C ATOM 1513 O SER A 91 20.018 23.278 -14.728 1.00 0.00 O ATOM 1514 CB SER A 91 19.442 20.610 -14.361 1.00 0.00 C ATOM 1515 OG SER A 91 19.103 19.388 -13.718 1.00 0.00 O ATOM 0 H SER A 91 16.977 21.522 -15.595 1.00 0.00 H new ATOM 0 HA SER A 91 18.263 21.742 -12.958 1.00 0.00 H new ATOM 0 HB2 SER A 91 19.507 20.461 -15.439 1.00 0.00 H new ATOM 0 HB3 SER A 91 20.422 20.951 -14.026 1.00 0.00 H new ATOM 0 HG SER A 91 19.781 18.711 -13.924 1.00 0.00 H new ATOM 1521 N ARG A 92 17.852 23.866 -14.905 1.00 0.00 N ATOM 1522 CA ARG A 92 18.151 25.190 -15.442 1.00 0.00 C ATOM 1523 C ARG A 92 18.089 26.241 -14.340 1.00 0.00 C ATOM 1524 O ARG A 92 17.073 26.916 -14.168 1.00 0.00 O ATOM 1525 CB ARG A 92 17.150 25.542 -16.545 1.00 0.00 C ATOM 1526 CG ARG A 92 17.389 24.638 -17.758 1.00 0.00 C ATOM 1527 CD ARG A 92 16.531 25.117 -18.929 1.00 0.00 C ATOM 1528 NE ARG A 92 15.122 24.844 -18.670 1.00 0.00 N ATOM 1529 CZ ARG A 92 14.353 25.724 -18.035 1.00 0.00 C ATOM 1530 NH1 ARG A 92 14.857 26.857 -17.625 1.00 0.00 N ATOM 1531 NH2 ARG A 92 13.095 25.454 -17.819 1.00 0.00 N ATOM 0 H ARG A 92 16.858 23.666 -14.798 1.00 0.00 H new ATOM 0 HA ARG A 92 19.159 25.176 -15.857 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.131 25.417 -16.180 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.260 26.588 -16.830 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.443 24.655 -18.035 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.141 23.606 -17.510 1.00 0.00 H new ATOM 0 HD2 ARG A 92 16.679 26.186 -19.083 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.843 24.616 -19.846 1.00 0.00 H new ATOM 0 HE ARG A 92 14.718 23.961 -18.982 1.00 0.00 H new ATOM 0 HH11 ARG A 92 15.841 27.068 -17.792 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.267 27.531 -17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.702 24.568 -18.137 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.505 26.129 -17.332 1.00 0.00 H new ATOM 1545 N ASP A 93 19.181 26.374 -13.594 1.00 0.00 N ATOM 1546 CA ASP A 93 19.243 27.347 -12.509 1.00 0.00 C ATOM 1547 C ASP A 93 18.183 27.042 -11.455 1.00 0.00 C ATOM 1548 O ASP A 93 17.080 26.600 -11.778 1.00 0.00 O ATOM 1549 CB ASP A 93 19.028 28.758 -13.059 1.00 0.00 C ATOM 1550 CG ASP A 93 19.461 29.792 -12.024 1.00 0.00 C ATOM 1551 OD1 ASP A 93 19.263 29.540 -10.847 1.00 0.00 O ATOM 1552 OD2 ASP A 93 19.985 30.818 -12.424 1.00 0.00 O ATOM 0 H ASP A 93 20.031 25.824 -13.720 1.00 0.00 H new ATOM 0 HA ASP A 93 20.228 27.285 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 93 19.599 28.890 -13.978 1.00 0.00 H new ATOM 0 HB3 ASP A 93 17.978 28.903 -13.312 1.00 0.00 H new ATOM 1557 N THR A 94 18.526 27.283 -10.193 1.00 0.00 N ATOM 1558 CA THR A 94 17.597 27.034 -9.092 1.00 0.00 C ATOM 1559 C THR A 94 16.918 28.329 -8.663 1.00 0.00 C ATOM 1560 O THR A 94 16.251 28.379 -7.630 1.00 0.00 O ATOM 1561 CB THR A 94 18.350 26.431 -7.904 1.00 0.00 C ATOM 1562 OG1 THR A 94 17.430 26.152 -6.857 1.00 0.00 O ATOM 1563 CG2 THR A 94 19.405 27.422 -7.410 1.00 0.00 C ATOM 0 H THR A 94 19.434 27.648 -9.907 1.00 0.00 H new ATOM 0 HA THR A 94 16.834 26.334 -9.433 1.00 0.00 H new ATOM 0 HB THR A 94 18.841 25.508 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 94 16.696 26.801 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.941 26.992 -6.564 1.00 0.00 H new ATOM 0 HG22 THR A 94 20.109 27.635 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.918 28.346 -7.099 1.00 0.00 H new ATOM 1571 N LEU A 95 17.094 29.377 -9.462 1.00 0.00 N ATOM 1572 CA LEU A 95 16.496 30.669 -9.155 1.00 0.00 C ATOM 1573 C LEU A 95 16.826 31.081 -7.722 1.00 0.00 C ATOM 1574 O LEU A 95 17.962 30.930 -7.272 1.00 0.00 O ATOM 1575 CB LEU A 95 14.976 30.603 -9.340 1.00 0.00 C ATOM 1576 CG LEU A 95 14.641 30.336 -10.814 1.00 0.00 C ATOM 1577 CD1 LEU A 95 14.868 28.857 -11.149 1.00 0.00 C ATOM 1578 CD2 LEU A 95 13.176 30.698 -11.071 1.00 0.00 C ATOM 0 H LEU A 95 17.643 29.356 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 95 16.907 31.412 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.559 29.814 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.521 31.540 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 95 15.290 30.944 -11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.627 28.680 -12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 95 15.911 28.599 -10.968 1.00 0.00 H new ATOM 0 HD13 LEU A 95 14.227 28.239 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.933 30.510 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.534 30.090 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.017 31.752 -10.845 1.00 0.00 H new ATOM 1590 N TYR A 96 15.831 31.602 -7.010 1.00 0.00 N ATOM 1591 CA TYR A 96 16.036 32.031 -5.633 1.00 0.00 C ATOM 1592 C TYR A 96 14.705 32.404 -4.985 1.00 0.00 C ATOM 1593 O TYR A 96 14.426 33.580 -4.752 1.00 0.00 O ATOM 1594 CB TYR A 96 16.982 33.235 -5.602 1.00 0.00 C ATOM 1595 CG TYR A 96 17.591 33.370 -4.226 1.00 0.00 C ATOM 1596 CD1 TYR A 96 16.994 34.207 -3.276 1.00 0.00 C ATOM 1597 CD2 TYR A 96 18.753 32.660 -3.902 1.00 0.00 C ATOM 1598 CE1 TYR A 96 17.559 34.333 -2.001 1.00 0.00 C ATOM 1599 CE2 TYR A 96 19.318 32.786 -2.627 1.00 0.00 C ATOM 1600 CZ TYR A 96 18.722 33.624 -1.677 1.00 0.00 C ATOM 1601 OH TYR A 96 19.280 33.749 -0.421 1.00 0.00 O ATOM 0 H TYR A 96 14.883 31.736 -7.361 1.00 0.00 H new ATOM 0 HA TYR A 96 16.478 31.207 -5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 96 17.768 33.111 -6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 96 16.438 34.144 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 96 16.098 34.755 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 96 19.214 32.015 -4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 96 17.098 34.977 -1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 96 20.214 32.237 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 96 20.082 33.189 -0.362 1.00 0.00 H new ATOM 1611 N GLN A 97 13.888 31.395 -4.697 1.00 0.00 N ATOM 1612 CA GLN A 97 12.588 31.629 -4.077 1.00 0.00 C ATOM 1613 C GLN A 97 12.110 30.378 -3.349 1.00 0.00 C ATOM 1614 O GLN A 97 12.293 29.259 -3.830 1.00 0.00 O ATOM 1615 CB GLN A 97 11.564 32.024 -5.143 1.00 0.00 C ATOM 1616 CG GLN A 97 10.320 32.602 -4.467 1.00 0.00 C ATOM 1617 CD GLN A 97 9.181 32.715 -5.476 1.00 0.00 C ATOM 1618 OE1 GLN A 97 8.661 31.700 -5.941 1.00 0.00 O ATOM 1619 NE2 GLN A 97 8.762 33.894 -5.845 1.00 0.00 N ATOM 0 H GLN A 97 14.101 30.415 -4.881 1.00 0.00 H new ATOM 0 HA GLN A 97 12.691 32.439 -3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.996 32.759 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 97 11.294 31.155 -5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.018 31.964 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.546 33.583 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.194 34.733 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 97 8.002 33.977 -6.520 1.00 0.00 H new ATOM 1628 N ASN A 98 11.497 30.574 -2.187 1.00 0.00 N ATOM 1629 CA ASN A 98 10.996 29.452 -1.401 1.00 0.00 C ATOM 1630 C ASN A 98 9.788 28.815 -2.081 1.00 0.00 C ATOM 1631 O ASN A 98 8.740 28.632 -1.462 1.00 0.00 O ATOM 1632 CB ASN A 98 10.605 29.928 0.000 1.00 0.00 C ATOM 1633 CG ASN A 98 9.751 31.187 -0.097 1.00 0.00 C ATOM 1634 OD1 ASN A 98 10.116 32.229 0.449 1.00 0.00 O ATOM 1635 ND2 ASN A 98 8.628 31.154 -0.760 1.00 0.00 N ATOM 0 H ASN A 98 11.336 31.491 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 98 11.788 28.707 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.054 29.144 0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.501 30.130 0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.050 31.992 -0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.327 30.290 -1.211 1.00 0.00 H new ATOM 1642 N SER A 99 9.944 28.479 -3.357 1.00 0.00 N ATOM 1643 CA SER A 99 8.860 27.860 -4.113 1.00 0.00 C ATOM 1644 C SER A 99 9.308 27.552 -5.538 1.00 0.00 C ATOM 1645 O SER A 99 9.599 26.403 -5.872 1.00 0.00 O ATOM 1646 CB SER A 99 7.649 28.794 -4.148 1.00 0.00 C ATOM 1647 OG SER A 99 6.785 28.402 -5.208 1.00 0.00 O ATOM 0 H SER A 99 10.804 28.623 -3.887 1.00 0.00 H new ATOM 0 HA SER A 99 8.586 26.927 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.118 28.756 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.974 29.825 -4.290 1.00 0.00 H new ATOM 0 HG SER A 99 6.007 28.997 -5.233 1.00 0.00 H new ATOM 1653 N GLY A 100 9.362 28.584 -6.373 1.00 0.00 N ATOM 1654 CA GLY A 100 9.777 28.411 -7.761 1.00 0.00 C ATOM 1655 C GLY A 100 9.450 29.652 -8.586 1.00 0.00 C ATOM 1656 O GLY A 100 9.082 29.492 -9.738 1.00 0.00 O ATOM 1657 OXT GLY A 100 9.574 30.743 -8.053 1.00 0.00 O ATOM 0 H GLY A 100 9.126 29.542 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.848 28.214 -7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.276 27.543 -8.189 1.00 0.00 H new TER 1661 GLY A 100