USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 970 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 34 GLN : amide:sc= -7.66! C(o=-12!,f=-13!) USER MOD Set 1.2: B 52 CYS SG : rot 25:sc= -4.51! USER MOD Set 2.1: B 2 THR OG1 : rot -140:sc= 0.00158 USER MOD Set 2.2: B 3 LYS NZ :NH3+ 153:sc= -0.133 (180deg=-1.13) USER MOD Set 2.3: B 4 GLN : amide:sc= -2.48! C(o=-1.7!,f=-5.9!) USER MOD Set 2.4: B 7 THR OG1 : rot 89:sc= 0.915 USER MOD Set 3.1: A 18 GLN : amide:sc= -2.53 K(o=-2.7,f=-11!) USER MOD Set 3.2: B 18 GLN : amide:sc= -0.218 K(o=-2.7,f=-8.1!) USER MOD Set 4.1: A 3 LYS NZ :NH3+ -144:sc= 2.15 (180deg=0) USER MOD Set 4.2: A 4 GLN : amide:sc= 0.665 K(o=4.1,f=-5.7!) USER MOD Set 4.3: A 7 THR OG1 : rot 73:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 147:sc= -0.207 (180deg=-1.25) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.455! (180deg=-0.984!) USER MOD Single : A 2 THR OG1 : rot 91:sc= 0.789 USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.144 (180deg=-0.776) USER MOD Single : A 10 ASN : amide:sc= 0.578 K(o=0.58,f=-5.3!) USER MOD Single : A 11 MET CE :methyl -137:sc= -0.013 (180deg=-0.698) USER MOD Single : A 17 SER OG : rot 75:sc= 0.875 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.065 USER MOD Single : A 25 LYS NZ :NH3+ -106:sc= -2.37 (180deg=-8.86!) USER MOD Single : A 27 ASN : amide:sc= 0.488 X(o=0.49,f=-0.0052) USER MOD Single : A 38 CYS SG : rot -59:sc= -2.68! USER MOD Single : A 40 SER OG : rot 92:sc= 0.542 USER MOD Single : A 42 HIS : no HE2:sc= -2.03 K(o=-2,f=-8.2!) USER MOD Single : A 44 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-3.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -95:sc= 0.37 USER MOD Single : A 52 CYS SG : rot 114:sc= -2.89! USER MOD Single : A 62 ASN :FLIP amide:sc= -0.277 F(o=-3.4,f=-0.28) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -139:sc= -7.18! (180deg=-12.8!) USER MOD Single : B 6 LYS NZ :NH3+ 143:sc= -1.87 (180deg=-3.37!) USER MOD Single : B 10 ASN : amide:sc= 0.424 X(o=0.42,f=-0.049) USER MOD Single : B 11 MET CE :methyl 159:sc= -0.232 (180deg=-0.641) USER MOD Single : B 17 SER OG : rot 180:sc= 0.0264 USER MOD Single : B 19 THR OG1 : rot 93:sc= 1.25 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : B 25 LYS NZ :NH3+ 168:sc= -2.45! (180deg=-2.58) USER MOD Single : B 27 ASN : amide:sc= -3.92! C(o=-3.9!,f=-8.2!) USER MOD Single : B 34 GLN : amide:sc= -3.42! C(o=-3.4!,f=-8.6!) USER MOD Single : B 38 CYS SG : rot -130:sc= -1.03 USER MOD Single : B 40 SER OG : rot -170:sc= -0.27 USER MOD Single : B 42 HIS : no HD1:sc= -1.95 K(o=-2,f=-2.9) USER MOD Single : B 44 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 110:sc= 0.291 USER MOD Single : B 62 ASN :FLIP amide:sc= -1.24 F(o=-3.5!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.761 -1.818 -1.740 1.00 3.37 N ATOM 2 CA MET A 1 -22.689 -2.634 -2.977 1.00 3.57 C ATOM 3 C MET A 1 -22.836 -1.717 -4.181 1.00 3.47 C ATOM 4 O MET A 1 -23.926 -1.564 -4.695 1.00 4.06 O ATOM 5 CB MET A 1 -23.815 -3.677 -3.060 1.00 3.97 C ATOM 6 CG MET A 1 -23.571 -4.800 -2.048 1.00 4.33 C ATOM 7 SD MET A 1 -24.643 -6.253 -2.180 1.00 4.83 S ATOM 8 CE MET A 1 -26.043 -5.619 -1.225 1.00 5.37 C ATOM 0 H1 MET A 1 -22.276 -2.316 -0.967 1.00 3.37 H new ATOM 0 H2 MET A 1 -22.301 -0.900 -1.903 1.00 3.37 H new ATOM 0 H3 MET A 1 -23.757 -1.665 -1.482 1.00 3.37 H new ATOM 0 HA MET A 1 -21.730 -3.152 -2.964 1.00 3.57 H new ATOM 0 HB2 MET A 1 -24.776 -3.202 -2.862 1.00 3.97 H new ATOM 0 HB3 MET A 1 -23.865 -4.090 -4.068 1.00 3.97 H new ATOM 0 HG2 MET A 1 -22.537 -5.129 -2.146 1.00 4.33 H new ATOM 0 HG3 MET A 1 -23.680 -4.386 -1.046 1.00 4.33 H new ATOM 0 HE1 MET A 1 -26.971 -6.024 -1.628 1.00 5.37 H new ATOM 0 HE2 MET A 1 -25.938 -5.920 -0.183 1.00 5.37 H new ATOM 0 HE3 MET A 1 -26.064 -4.531 -1.288 1.00 5.37 H new ATOM 20 N THR A 2 -21.758 -1.129 -4.615 1.00 2.92 N ATOM 21 CA THR A 2 -21.834 -0.227 -5.784 1.00 2.99 C ATOM 22 C THR A 2 -20.671 -0.608 -6.701 1.00 2.72 C ATOM 23 O THR A 2 -19.720 -1.232 -6.272 1.00 2.84 O ATOM 24 CB THR A 2 -21.721 1.207 -5.262 1.00 3.22 C ATOM 25 OG1 THR A 2 -22.703 1.248 -4.237 1.00 3.49 O ATOM 26 CG2 THR A 2 -22.225 2.229 -6.298 1.00 4.02 C ATOM 0 H THR A 2 -20.829 -1.237 -4.207 1.00 2.92 H new ATOM 0 HA THR A 2 -22.766 -0.309 -6.344 1.00 2.99 H new ATOM 0 HB THR A 2 -20.692 1.437 -4.987 1.00 3.22 H new ATOM 0 HG1 THR A 2 -22.294 1.000 -3.382 1.00 3.49 H new ATOM 0 HG21 THR A 2 -22.129 3.236 -5.892 1.00 4.02 H new ATOM 0 HG22 THR A 2 -21.632 2.147 -7.209 1.00 4.02 H new ATOM 0 HG23 THR A 2 -23.271 2.028 -6.528 1.00 4.02 H new ATOM 34 N LYS A 3 -20.777 -0.225 -7.942 1.00 2.63 N ATOM 35 CA LYS A 3 -19.697 -0.552 -8.908 1.00 2.60 C ATOM 36 C LYS A 3 -18.422 0.056 -8.338 1.00 2.17 C ATOM 37 O LYS A 3 -17.394 -0.586 -8.294 1.00 2.07 O ATOM 38 CB LYS A 3 -20.076 0.067 -10.277 1.00 3.03 C ATOM 39 CG LYS A 3 -19.226 -0.482 -11.461 1.00 3.61 C ATOM 40 CD LYS A 3 -17.732 -0.111 -11.403 1.00 3.98 C ATOM 41 CE LYS A 3 -17.556 1.429 -11.394 1.00 4.65 C ATOM 42 NZ LYS A 3 -16.122 1.811 -11.279 1.00 4.95 N ATOM 0 H LYS A 3 -21.563 0.299 -8.327 1.00 2.63 H new ATOM 0 HA LYS A 3 -19.556 -1.623 -9.056 1.00 2.60 H new ATOM 0 HB2 LYS A 3 -21.130 -0.127 -10.476 1.00 3.03 H new ATOM 0 HB3 LYS A 3 -19.955 1.149 -10.224 1.00 3.03 H new ATOM 0 HG2 LYS A 3 -19.317 -1.568 -11.484 1.00 3.61 H new ATOM 0 HG3 LYS A 3 -19.644 -0.108 -12.396 1.00 3.61 H new ATOM 0 HD2 LYS A 3 -17.279 -0.540 -10.509 1.00 3.98 H new ATOM 0 HD3 LYS A 3 -17.212 -0.538 -12.260 1.00 3.98 H new ATOM 0 HE2 LYS A 3 -17.974 1.850 -12.308 1.00 4.65 H new ATOM 0 HE3 LYS A 3 -18.116 1.856 -10.562 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 -16.037 2.669 -10.697 1.00 4.95 H new ATOM 0 HZ2 LYS A 3 -15.591 1.036 -10.833 1.00 4.95 H new ATOM 0 HZ3 LYS A 3 -15.735 1.996 -12.226 1.00 4.95 H new ATOM 56 N GLN A 4 -18.530 1.285 -7.914 1.00 2.02 N ATOM 57 CA GLN A 4 -17.336 1.967 -7.347 1.00 1.74 C ATOM 58 C GLN A 4 -16.694 1.109 -6.281 1.00 1.34 C ATOM 59 O GLN A 4 -15.495 0.933 -6.276 1.00 1.25 O ATOM 60 CB GLN A 4 -17.729 3.293 -6.708 1.00 1.87 C ATOM 61 CG GLN A 4 -18.260 4.254 -7.761 1.00 2.66 C ATOM 62 CD GLN A 4 -17.085 4.603 -8.671 1.00 3.34 C ATOM 63 OE1 GLN A 4 -16.905 3.998 -9.712 1.00 3.63 O ATOM 64 NE2 GLN A 4 -16.270 5.557 -8.313 1.00 4.09 N ATOM 0 H GLN A 4 -19.385 1.841 -7.935 1.00 2.02 H new ATOM 0 HA GLN A 4 -16.636 2.138 -8.165 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -18.488 3.125 -5.944 1.00 1.87 H new ATOM 0 HB3 GLN A 4 -16.866 3.733 -6.208 1.00 1.87 H new ATOM 0 HG2 GLN A 4 -19.068 3.795 -8.331 1.00 2.66 H new ATOM 0 HG3 GLN A 4 -18.668 5.151 -7.295 1.00 2.66 H new ATOM 0 HE21 GLN A 4 -16.426 6.060 -7.440 1.00 4.09 H new ATOM 0 HE22 GLN A 4 -15.477 5.800 -8.907 1.00 4.09 H new ATOM 73 N GLU A 5 -17.514 0.600 -5.414 1.00 1.21 N ATOM 74 CA GLU A 5 -16.989 -0.251 -4.320 1.00 0.96 C ATOM 75 C GLU A 5 -16.229 -1.430 -4.892 1.00 0.95 C ATOM 76 O GLU A 5 -15.161 -1.782 -4.435 1.00 0.82 O ATOM 77 CB GLU A 5 -18.129 -0.771 -3.519 1.00 1.13 C ATOM 78 CG GLU A 5 -18.914 0.383 -2.905 1.00 1.56 C ATOM 79 CD GLU A 5 -20.167 -0.243 -2.326 1.00 1.97 C ATOM 80 OE1 GLU A 5 -20.139 -1.453 -2.228 1.00 2.36 O ATOM 81 OE2 GLU A 5 -21.089 0.482 -2.020 1.00 2.53 O ATOM 0 H GLU A 5 -18.525 0.736 -5.415 1.00 1.21 H new ATOM 0 HA GLU A 5 -16.322 0.346 -3.698 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.784 -1.369 -4.152 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -17.759 -1.428 -2.732 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -18.333 0.885 -2.132 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -19.161 1.133 -3.656 1.00 1.56 H new ATOM 88 N LYS A 6 -16.815 -2.014 -5.893 1.00 1.22 N ATOM 89 CA LYS A 6 -16.165 -3.195 -6.506 1.00 1.36 C ATOM 90 C LYS A 6 -14.827 -2.744 -7.066 1.00 1.20 C ATOM 91 O LYS A 6 -13.864 -3.486 -7.071 1.00 1.18 O ATOM 92 CB LYS A 6 -17.048 -3.732 -7.640 1.00 1.75 C ATOM 93 CG LYS A 6 -16.706 -5.199 -7.969 1.00 2.49 C ATOM 94 CD LYS A 6 -17.138 -6.104 -6.793 1.00 2.98 C ATOM 95 CE LYS A 6 -16.933 -7.575 -7.196 1.00 3.67 C ATOM 96 NZ LYS A 6 -17.737 -7.908 -8.409 1.00 3.78 N ATOM 0 H LYS A 6 -17.702 -1.730 -6.308 1.00 1.22 H new ATOM 0 HA LYS A 6 -16.023 -3.986 -5.769 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -18.097 -3.656 -7.354 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -16.915 -3.117 -8.530 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -17.213 -5.506 -8.884 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -15.636 -5.303 -8.148 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -16.553 -5.872 -5.903 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -18.183 -5.924 -6.543 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -15.877 -7.759 -7.392 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -17.223 -8.227 -6.372 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -17.920 -8.931 -8.434 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -18.641 -7.395 -8.378 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -17.211 -7.630 -9.262 1.00 3.78 H new ATOM 110 N THR A 7 -14.799 -1.531 -7.524 1.00 1.23 N ATOM 111 CA THR A 7 -13.538 -1.032 -8.100 1.00 1.25 C ATOM 112 C THR A 7 -12.580 -0.759 -6.940 1.00 0.98 C ATOM 113 O THR A 7 -11.385 -0.931 -7.062 1.00 0.93 O ATOM 114 CB THR A 7 -13.847 0.251 -8.882 1.00 1.53 C ATOM 115 OG1 THR A 7 -15.043 -0.024 -9.606 1.00 1.77 O ATOM 116 CG2 THR A 7 -12.800 0.488 -9.982 1.00 1.82 C ATOM 0 H THR A 7 -15.581 -0.876 -7.524 1.00 1.23 H new ATOM 0 HA THR A 7 -13.080 -1.751 -8.780 1.00 1.25 H new ATOM 0 HB THR A 7 -13.889 1.095 -8.193 1.00 1.53 H new ATOM 0 HG1 THR A 7 -15.803 -0.044 -8.987 1.00 1.77 H new ATOM 0 HG21 THR A 7 -13.041 1.403 -10.522 1.00 1.82 H new ATOM 0 HG22 THR A 7 -11.813 0.582 -9.530 1.00 1.82 H new ATOM 0 HG23 THR A 7 -12.803 -0.354 -10.675 1.00 1.82 H new ATOM 124 N ALA A 8 -13.135 -0.348 -5.837 1.00 0.87 N ATOM 125 CA ALA A 8 -12.279 -0.027 -4.670 1.00 0.79 C ATOM 126 C ALA A 8 -11.690 -1.294 -4.104 1.00 0.62 C ATOM 127 O ALA A 8 -10.591 -1.284 -3.594 1.00 0.70 O ATOM 128 CB ALA A 8 -13.103 0.659 -3.586 1.00 0.81 C ATOM 0 H ALA A 8 -14.137 -0.222 -5.695 1.00 0.87 H new ATOM 0 HA ALA A 8 -11.481 0.639 -4.998 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -12.463 0.890 -2.734 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -13.528 1.582 -3.981 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -13.908 -0.003 -3.267 1.00 0.81 H new ATOM 134 N LEU A 9 -12.422 -2.361 -4.196 1.00 0.59 N ATOM 135 CA LEU A 9 -11.874 -3.625 -3.650 1.00 0.73 C ATOM 136 C LEU A 9 -10.812 -4.122 -4.580 1.00 0.60 C ATOM 137 O LEU A 9 -9.716 -4.428 -4.164 1.00 0.61 O ATOM 138 CB LEU A 9 -12.961 -4.681 -3.548 1.00 1.09 C ATOM 139 CG LEU A 9 -13.834 -4.356 -2.343 1.00 1.65 C ATOM 140 CD1 LEU A 9 -15.110 -5.202 -2.421 1.00 1.96 C ATOM 141 CD2 LEU A 9 -13.087 -4.731 -1.049 1.00 2.37 C ATOM 0 H LEU A 9 -13.351 -2.415 -4.613 1.00 0.59 H new ATOM 0 HA LEU A 9 -11.469 -3.437 -2.656 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -13.561 -4.697 -4.458 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -12.519 -5.671 -3.440 1.00 1.09 H new ATOM 0 HG LEU A 9 -14.072 -3.292 -2.341 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -15.746 -4.981 -1.564 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -15.646 -4.968 -3.341 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -14.846 -6.260 -2.413 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -13.712 -4.498 -0.187 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -12.861 -5.797 -1.055 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -12.158 -4.163 -0.987 1.00 2.37 H new ATOM 153 N ASN A 10 -11.165 -4.192 -5.826 1.00 0.60 N ATOM 154 CA ASN A 10 -10.177 -4.689 -6.817 1.00 0.63 C ATOM 155 C ASN A 10 -8.950 -3.807 -6.705 1.00 0.57 C ATOM 156 O ASN A 10 -7.826 -4.239 -6.861 1.00 0.57 O ATOM 157 CB ASN A 10 -10.760 -4.583 -8.211 1.00 0.76 C ATOM 158 CG ASN A 10 -9.860 -5.346 -9.186 1.00 1.34 C ATOM 159 OD1 ASN A 10 -8.823 -5.874 -8.830 1.00 1.67 O ATOM 160 ND2 ASN A 10 -10.231 -5.430 -10.436 1.00 2.15 N ATOM 0 H ASN A 10 -12.078 -3.932 -6.199 1.00 0.60 H new ATOM 0 HA ASN A 10 -9.923 -5.732 -6.628 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -11.769 -4.994 -8.229 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -10.837 -3.537 -8.509 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -9.653 -5.936 -11.107 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -11.099 -4.990 -10.741 1.00 2.15 H new ATOM 167 N MET A 11 -9.204 -2.567 -6.425 1.00 0.60 N ATOM 168 CA MET A 11 -8.078 -1.618 -6.295 1.00 0.65 C ATOM 169 C MET A 11 -7.274 -1.939 -5.051 1.00 0.62 C ATOM 170 O MET A 11 -6.064 -1.994 -5.102 1.00 0.68 O ATOM 171 CB MET A 11 -8.642 -0.203 -6.218 1.00 0.77 C ATOM 172 CG MET A 11 -7.559 0.783 -5.813 1.00 1.18 C ATOM 173 SD MET A 11 -7.033 0.750 -4.080 1.00 1.98 S ATOM 174 CE MET A 11 -8.505 1.501 -3.343 1.00 2.42 C ATOM 0 H MET A 11 -10.134 -2.173 -6.282 1.00 0.60 H new ATOM 0 HA MET A 11 -7.416 -1.699 -7.157 1.00 0.65 H new ATOM 0 HB2 MET A 11 -9.058 0.082 -7.185 1.00 0.77 H new ATOM 0 HB3 MET A 11 -9.459 -0.170 -5.497 1.00 0.77 H new ATOM 0 HG2 MET A 11 -6.684 0.602 -6.437 1.00 1.18 H new ATOM 0 HG3 MET A 11 -7.912 1.789 -6.042 1.00 1.18 H new ATOM 0 HE1 MET A 11 -8.204 2.227 -2.588 1.00 2.42 H new ATOM 0 HE2 MET A 11 -9.085 2.002 -4.118 1.00 2.42 H new ATOM 0 HE3 MET A 11 -9.115 0.726 -2.878 1.00 2.42 H new ATOM 184 N ALA A 12 -7.942 -2.149 -3.956 1.00 0.58 N ATOM 185 CA ALA A 12 -7.190 -2.448 -2.708 1.00 0.62 C ATOM 186 C ALA A 12 -6.427 -3.737 -2.908 1.00 0.56 C ATOM 187 O ALA A 12 -5.366 -3.948 -2.357 1.00 0.57 O ATOM 188 CB ALA A 12 -8.155 -2.616 -1.535 1.00 0.67 C ATOM 0 H ALA A 12 -8.958 -2.128 -3.869 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.508 -1.626 -2.488 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.591 -2.834 -0.628 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.723 -1.696 -1.396 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.841 -3.438 -1.743 1.00 0.67 H new ATOM 194 N ARG A 13 -6.997 -4.583 -3.710 1.00 0.53 N ATOM 195 CA ARG A 13 -6.331 -5.874 -3.965 1.00 0.50 C ATOM 196 C ARG A 13 -5.121 -5.534 -4.813 1.00 0.49 C ATOM 197 O ARG A 13 -4.100 -6.178 -4.708 1.00 0.51 O ATOM 198 CB ARG A 13 -7.293 -6.802 -4.720 1.00 0.51 C ATOM 199 CG ARG A 13 -6.620 -8.146 -5.028 1.00 0.61 C ATOM 200 CD ARG A 13 -7.328 -8.779 -6.242 1.00 1.07 C ATOM 201 NE ARG A 13 -7.218 -7.859 -7.415 1.00 1.86 N ATOM 202 CZ ARG A 13 -6.074 -7.260 -7.666 1.00 2.52 C ATOM 203 NH1 ARG A 13 -4.962 -7.956 -7.534 1.00 3.08 N ATOM 204 NH2 ARG A 13 -6.100 -5.996 -8.030 1.00 3.15 N ATOM 0 H ARG A 13 -7.884 -4.437 -4.193 1.00 0.53 H new ATOM 0 HA ARG A 13 -6.039 -6.390 -3.050 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -8.190 -6.967 -4.123 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.610 -6.327 -5.648 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.561 -8.000 -5.241 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -6.683 -8.808 -4.165 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -6.877 -9.743 -6.478 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -8.376 -8.966 -6.009 1.00 1.07 H new ATOM 0 HE ARG A 13 -8.025 -7.697 -8.017 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -5.003 -8.933 -7.244 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -4.060 -7.517 -7.722 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -6.991 -5.507 -8.111 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -5.229 -5.505 -8.231 1.00 3.15 H new ATOM 218 N PHE A 14 -5.259 -4.532 -5.633 1.00 0.52 N ATOM 219 CA PHE A 14 -4.103 -4.164 -6.488 1.00 0.54 C ATOM 220 C PHE A 14 -3.005 -3.628 -5.603 1.00 0.57 C ATOM 221 O PHE A 14 -1.859 -3.981 -5.781 1.00 0.59 O ATOM 222 CB PHE A 14 -4.467 -3.071 -7.493 1.00 0.62 C ATOM 223 CG PHE A 14 -3.225 -2.810 -8.346 1.00 1.17 C ATOM 224 CD1 PHE A 14 -2.819 -3.728 -9.296 1.00 2.02 C ATOM 225 CD2 PHE A 14 -2.493 -1.650 -8.173 1.00 1.81 C ATOM 226 CE1 PHE A 14 -1.696 -3.491 -10.060 1.00 2.69 C ATOM 227 CE2 PHE A 14 -1.370 -1.413 -8.938 1.00 2.50 C ATOM 228 CZ PHE A 14 -0.971 -2.332 -9.882 1.00 2.71 C ATOM 0 H PHE A 14 -6.100 -3.966 -5.747 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.790 -5.054 -7.035 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -5.303 -3.385 -8.117 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -4.778 -2.162 -6.978 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -3.385 -4.636 -9.441 1.00 2.02 H new ATOM 0 HD2 PHE A 14 -2.802 -0.925 -7.435 1.00 1.81 H new ATOM 0 HE1 PHE A 14 -1.384 -4.214 -10.799 1.00 2.69 H new ATOM 0 HE2 PHE A 14 -0.803 -0.505 -8.796 1.00 2.50 H new ATOM 0 HZ PHE A 14 -0.092 -2.146 -10.482 1.00 2.71 H new ATOM 238 N ILE A 15 -3.365 -2.793 -4.671 1.00 0.58 N ATOM 239 CA ILE A 15 -2.314 -2.244 -3.786 1.00 0.63 C ATOM 240 C ILE A 15 -1.672 -3.435 -3.112 1.00 0.59 C ATOM 241 O ILE A 15 -0.473 -3.495 -2.946 1.00 0.62 O ATOM 242 CB ILE A 15 -2.938 -1.318 -2.731 1.00 0.69 C ATOM 243 CG1 ILE A 15 -3.625 -0.155 -3.474 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.825 -0.770 -1.817 1.00 0.82 C ATOM 245 CD1 ILE A 15 -4.166 0.876 -2.474 1.00 0.93 C ATOM 0 H ILE A 15 -4.317 -2.475 -4.489 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.586 -1.659 -4.348 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.663 -1.856 -2.120 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -2.915 0.322 -4.150 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -4.441 -0.538 -4.087 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -2.262 -0.112 -1.066 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -1.319 -1.599 -1.323 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -1.106 -0.211 -2.415 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -4.648 1.690 -3.016 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -4.892 0.398 -1.816 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -3.343 1.273 -1.879 1.00 0.93 H new ATOM 257 N ARG A 16 -2.488 -4.372 -2.736 1.00 0.58 N ATOM 258 CA ARG A 16 -1.907 -5.550 -2.065 1.00 0.58 C ATOM 259 C ARG A 16 -0.996 -6.257 -3.061 1.00 0.55 C ATOM 260 O ARG A 16 0.011 -6.820 -2.683 1.00 0.56 O ATOM 261 CB ARG A 16 -3.048 -6.462 -1.605 1.00 0.60 C ATOM 262 CG ARG A 16 -2.444 -7.603 -0.803 1.00 0.82 C ATOM 263 CD ARG A 16 -3.559 -8.284 -0.021 1.00 1.04 C ATOM 264 NE ARG A 16 -4.652 -8.677 -0.950 1.00 1.57 N ATOM 265 CZ ARG A 16 -5.826 -8.885 -0.404 1.00 2.08 C ATOM 266 NH1 ARG A 16 -6.037 -10.047 0.177 1.00 2.68 N ATOM 267 NH2 ARG A 16 -6.725 -7.925 -0.452 1.00 2.60 N ATOM 0 H ARG A 16 -3.500 -4.374 -2.860 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.321 -5.268 -1.190 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.760 -5.904 -0.997 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.597 -6.849 -2.464 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.956 -8.317 -1.467 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -1.680 -7.226 -0.123 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -3.171 -9.163 0.493 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -3.944 -7.610 0.745 1.00 1.04 H new ATOM 0 HE ARG A 16 -4.497 -8.779 -1.953 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -5.299 -10.751 0.192 1.00 2.68 H new ATOM 0 HH12 ARG A 16 -6.938 -10.243 0.612 1.00 2.68 H new ATOM 0 HH21 ARG A 16 -6.502 -7.040 -0.908 1.00 2.60 H new ATOM 0 HH22 ARG A 16 -7.644 -8.066 -0.034 1.00 2.60 H new ATOM 281 N SER A 17 -1.352 -6.215 -4.312 1.00 0.57 N ATOM 282 CA SER A 17 -0.485 -6.892 -5.303 1.00 0.60 C ATOM 283 C SER A 17 0.838 -6.132 -5.324 1.00 0.56 C ATOM 284 O SER A 17 1.896 -6.706 -5.482 1.00 0.55 O ATOM 285 CB SER A 17 -1.133 -6.837 -6.692 1.00 0.68 C ATOM 286 OG SER A 17 -2.469 -7.288 -6.492 1.00 0.72 O ATOM 0 H SER A 17 -2.183 -5.754 -4.682 1.00 0.57 H new ATOM 0 HA SER A 17 -0.336 -7.939 -5.039 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.114 -5.825 -7.097 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.603 -7.474 -7.401 1.00 0.68 H new ATOM 0 HG SER A 17 -2.989 -6.584 -6.051 1.00 0.72 H new ATOM 292 N GLN A 18 0.762 -4.845 -5.162 1.00 0.57 N ATOM 293 CA GLN A 18 2.024 -4.079 -5.185 1.00 0.57 C ATOM 294 C GLN A 18 2.795 -4.415 -3.928 1.00 0.51 C ATOM 295 O GLN A 18 4.005 -4.473 -3.947 1.00 0.51 O ATOM 296 CB GLN A 18 1.719 -2.591 -5.227 1.00 0.65 C ATOM 297 CG GLN A 18 0.985 -2.293 -6.525 1.00 0.91 C ATOM 298 CD GLN A 18 0.678 -0.802 -6.536 1.00 1.11 C ATOM 299 OE1 GLN A 18 -0.289 -0.370 -5.943 1.00 1.80 O ATOM 300 NE2 GLN A 18 1.465 0.014 -7.186 1.00 1.05 N ATOM 0 H GLN A 18 -0.093 -4.307 -5.019 1.00 0.57 H new ATOM 0 HA GLN A 18 2.611 -4.335 -6.067 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.109 -2.304 -4.371 1.00 0.65 H new ATOM 0 HB3 GLN A 18 2.641 -2.012 -5.170 1.00 0.65 H new ATOM 0 HG2 GLN A 18 1.597 -2.566 -7.385 1.00 0.91 H new ATOM 0 HG3 GLN A 18 0.066 -2.876 -6.590 1.00 0.91 H new ATOM 0 HE21 GLN A 18 2.277 -0.350 -7.684 1.00 1.05 H new ATOM 0 HE22 GLN A 18 1.267 1.015 -7.195 1.00 1.05 H new ATOM 309 N THR A 19 2.091 -4.634 -2.860 1.00 0.48 N ATOM 310 CA THR A 19 2.808 -4.963 -1.616 1.00 0.44 C ATOM 311 C THR A 19 3.506 -6.300 -1.838 1.00 0.43 C ATOM 312 O THR A 19 4.492 -6.597 -1.196 1.00 0.46 O ATOM 313 CB THR A 19 1.776 -5.027 -0.504 1.00 0.46 C ATOM 314 OG1 THR A 19 1.041 -3.825 -0.708 1.00 0.56 O ATOM 315 CG2 THR A 19 2.460 -4.821 0.854 1.00 0.48 C ATOM 0 H THR A 19 1.073 -4.600 -2.797 1.00 0.48 H new ATOM 0 HA THR A 19 3.561 -4.224 -1.342 1.00 0.44 H new ATOM 0 HB THR A 19 1.217 -5.963 -0.513 1.00 0.46 H new ATOM 0 HG1 THR A 19 0.331 -3.757 -0.035 1.00 0.56 H new ATOM 0 HG21 THR A 19 1.714 -4.868 1.648 1.00 0.48 H new ATOM 0 HG22 THR A 19 3.204 -5.602 1.009 1.00 0.48 H new ATOM 0 HG23 THR A 19 2.948 -3.846 0.872 1.00 0.48 H new ATOM 323 N LEU A 20 2.984 -7.081 -2.739 1.00 0.45 N ATOM 324 CA LEU A 20 3.643 -8.383 -2.996 1.00 0.51 C ATOM 325 C LEU A 20 4.930 -7.957 -3.679 1.00 0.53 C ATOM 326 O LEU A 20 6.010 -8.381 -3.321 1.00 0.57 O ATOM 327 CB LEU A 20 2.759 -9.222 -3.936 1.00 0.57 C ATOM 328 CG LEU A 20 3.100 -10.738 -3.921 1.00 0.69 C ATOM 329 CD1 LEU A 20 4.580 -11.007 -4.255 1.00 1.31 C ATOM 330 CD2 LEU A 20 2.766 -11.338 -2.543 1.00 1.25 C ATOM 0 H LEU A 20 2.152 -6.880 -3.294 1.00 0.45 H new ATOM 0 HA LEU A 20 3.814 -8.996 -2.111 1.00 0.51 H new ATOM 0 HB2 LEU A 20 1.715 -9.090 -3.653 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.864 -8.844 -4.953 1.00 0.57 H new ATOM 0 HG LEU A 20 2.495 -11.213 -4.693 1.00 0.69 H new ATOM 0 HD11 LEU A 20 4.769 -12.080 -4.232 1.00 1.31 H new ATOM 0 HD12 LEU A 20 4.805 -10.620 -5.249 1.00 1.31 H new ATOM 0 HD13 LEU A 20 5.215 -10.511 -3.521 1.00 1.31 H new ATOM 0 HD21 LEU A 20 3.008 -12.401 -2.541 1.00 1.25 H new ATOM 0 HD22 LEU A 20 3.350 -10.831 -1.774 1.00 1.25 H new ATOM 0 HD23 LEU A 20 1.704 -11.207 -2.337 1.00 1.25 H new ATOM 342 N THR A 21 4.768 -7.110 -4.649 1.00 0.59 N ATOM 343 CA THR A 21 5.938 -6.611 -5.405 1.00 0.70 C ATOM 344 C THR A 21 6.939 -5.954 -4.440 1.00 0.63 C ATOM 345 O THR A 21 8.114 -5.843 -4.737 1.00 0.69 O ATOM 346 CB THR A 21 5.388 -5.630 -6.430 1.00 0.85 C ATOM 347 OG1 THR A 21 4.277 -6.331 -6.978 1.00 0.87 O ATOM 348 CG2 THR A 21 6.353 -5.470 -7.605 1.00 1.02 C ATOM 0 H THR A 21 3.867 -6.740 -4.952 1.00 0.59 H new ATOM 0 HA THR A 21 6.482 -7.409 -5.910 1.00 0.70 H new ATOM 0 HB THR A 21 5.188 -4.658 -5.978 1.00 0.85 H new ATOM 0 HG1 THR A 21 3.844 -5.776 -7.659 1.00 0.87 H new ATOM 0 HG21 THR A 21 5.937 -4.764 -8.324 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.310 -5.096 -7.241 1.00 1.02 H new ATOM 0 HG23 THR A 21 6.501 -6.436 -8.089 1.00 1.02 H new ATOM 356 N LEU A 22 6.458 -5.527 -3.306 1.00 0.54 N ATOM 357 CA LEU A 22 7.392 -4.900 -2.338 1.00 0.52 C ATOM 358 C LEU A 22 8.025 -6.007 -1.530 1.00 0.45 C ATOM 359 O LEU A 22 9.191 -5.945 -1.217 1.00 0.49 O ATOM 360 CB LEU A 22 6.678 -3.984 -1.350 1.00 0.59 C ATOM 361 CG LEU A 22 6.086 -2.727 -2.005 1.00 0.89 C ATOM 362 CD1 LEU A 22 5.386 -1.937 -0.885 1.00 1.71 C ATOM 363 CD2 LEU A 22 7.207 -1.854 -2.616 1.00 1.25 C ATOM 0 H LEU A 22 5.482 -5.583 -3.014 1.00 0.54 H new ATOM 0 HA LEU A 22 8.114 -4.310 -2.903 1.00 0.52 H new ATOM 0 HB2 LEU A 22 5.879 -4.541 -0.861 1.00 0.59 H new ATOM 0 HB3 LEU A 22 7.379 -3.684 -0.572 1.00 0.59 H new ATOM 0 HG LEU A 22 5.396 -3.000 -2.804 1.00 0.89 H new ATOM 0 HD11 LEU A 22 4.946 -1.030 -1.300 1.00 1.71 H new ATOM 0 HD12 LEU A 22 4.602 -2.551 -0.442 1.00 1.71 H new ATOM 0 HD13 LEU A 22 6.114 -1.670 -0.119 1.00 1.71 H new ATOM 0 HD21 LEU A 22 6.769 -0.968 -3.075 1.00 1.25 H new ATOM 0 HD22 LEU A 22 7.900 -1.551 -1.832 1.00 1.25 H new ATOM 0 HD23 LEU A 22 7.743 -2.427 -3.372 1.00 1.25 H new ATOM 375 N LEU A 23 7.255 -7.001 -1.201 1.00 0.43 N ATOM 376 CA LEU A 23 7.840 -8.100 -0.392 1.00 0.44 C ATOM 377 C LEU A 23 8.957 -8.677 -1.216 1.00 0.48 C ATOM 378 O LEU A 23 9.972 -9.094 -0.701 1.00 0.52 O ATOM 379 CB LEU A 23 6.801 -9.192 -0.126 1.00 0.53 C ATOM 380 CG LEU A 23 7.447 -10.375 0.651 1.00 0.73 C ATOM 381 CD1 LEU A 23 8.006 -9.887 2.001 1.00 1.08 C ATOM 382 CD2 LEU A 23 6.372 -11.438 0.919 1.00 1.05 C ATOM 0 H LEU A 23 6.271 -7.101 -1.449 1.00 0.43 H new ATOM 0 HA LEU A 23 8.186 -7.726 0.572 1.00 0.44 H new ATOM 0 HB2 LEU A 23 5.971 -8.781 0.448 1.00 0.53 H new ATOM 0 HB3 LEU A 23 6.390 -9.550 -1.070 1.00 0.53 H new ATOM 0 HG LEU A 23 8.260 -10.791 0.055 1.00 0.73 H new ATOM 0 HD11 LEU A 23 8.455 -10.726 2.533 1.00 1.08 H new ATOM 0 HD12 LEU A 23 8.762 -9.121 1.826 1.00 1.08 H new ATOM 0 HD13 LEU A 23 7.197 -9.468 2.600 1.00 1.08 H new ATOM 0 HD21 LEU A 23 6.813 -12.273 1.463 1.00 1.05 H new ATOM 0 HD22 LEU A 23 5.569 -11.002 1.513 1.00 1.05 H new ATOM 0 HD23 LEU A 23 5.969 -11.795 -0.029 1.00 1.05 H new ATOM 394 N GLU A 24 8.704 -8.669 -2.488 1.00 0.57 N ATOM 395 CA GLU A 24 9.671 -9.206 -3.455 1.00 0.71 C ATOM 396 C GLU A 24 10.935 -8.376 -3.343 1.00 0.67 C ATOM 397 O GLU A 24 11.873 -8.713 -2.658 1.00 0.69 O ATOM 398 CB GLU A 24 9.039 -9.091 -4.850 1.00 0.90 C ATOM 399 CG GLU A 24 10.011 -9.461 -5.969 1.00 1.37 C ATOM 400 CD GLU A 24 9.733 -8.525 -7.139 1.00 1.52 C ATOM 401 OE1 GLU A 24 8.572 -8.212 -7.345 1.00 1.84 O ATOM 402 OE2 GLU A 24 10.698 -8.148 -7.780 1.00 1.83 O ATOM 0 H GLU A 24 7.846 -8.303 -2.901 1.00 0.57 H new ATOM 0 HA GLU A 24 9.921 -10.251 -3.269 1.00 0.71 H new ATOM 0 HB2 GLU A 24 8.165 -9.741 -4.903 1.00 0.90 H new ATOM 0 HB3 GLU A 24 8.687 -8.071 -5.002 1.00 0.90 H new ATOM 0 HG2 GLU A 24 11.042 -9.358 -5.632 1.00 1.37 H new ATOM 0 HG3 GLU A 24 9.875 -10.500 -6.268 1.00 1.37 H new ATOM 409 N LYS A 25 10.891 -7.279 -4.032 1.00 0.67 N ATOM 410 CA LYS A 25 12.065 -6.375 -4.096 1.00 0.72 C ATOM 411 C LYS A 25 12.721 -6.107 -2.760 1.00 0.68 C ATOM 412 O LYS A 25 13.927 -6.071 -2.668 1.00 0.75 O ATOM 413 CB LYS A 25 11.612 -5.066 -4.730 1.00 0.81 C ATOM 414 CG LYS A 25 11.149 -5.429 -6.148 1.00 0.95 C ATOM 415 CD LYS A 25 10.583 -4.213 -6.871 1.00 1.36 C ATOM 416 CE LYS A 25 10.254 -4.662 -8.311 1.00 1.57 C ATOM 417 NZ LYS A 25 9.347 -5.843 -8.316 1.00 1.86 N ATOM 0 H LYS A 25 10.079 -6.964 -4.563 1.00 0.67 H new ATOM 0 HA LYS A 25 12.830 -6.873 -4.692 1.00 0.72 H new ATOM 0 HB2 LYS A 25 10.802 -4.613 -4.158 1.00 0.81 H new ATOM 0 HB3 LYS A 25 12.426 -4.342 -4.757 1.00 0.81 H new ATOM 0 HG2 LYS A 25 11.987 -5.835 -6.714 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.391 -6.211 -6.097 1.00 0.95 H new ATOM 0 HD2 LYS A 25 9.689 -3.845 -6.367 1.00 1.36 H new ATOM 0 HD3 LYS A 25 11.305 -3.396 -6.876 1.00 1.36 H new ATOM 0 HE2 LYS A 25 9.787 -3.840 -8.853 1.00 1.57 H new ATOM 0 HE3 LYS A 25 11.176 -4.907 -8.837 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 9.885 -6.693 -8.579 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 8.939 -5.971 -7.368 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 8.582 -5.691 -9.004 1.00 1.86 H new ATOM 431 N LEU A 26 11.949 -5.919 -1.741 1.00 0.65 N ATOM 432 CA LEU A 26 12.613 -5.653 -0.441 1.00 0.67 C ATOM 433 C LEU A 26 13.355 -6.911 -0.032 1.00 0.65 C ATOM 434 O LEU A 26 14.477 -6.867 0.425 1.00 0.73 O ATOM 435 CB LEU A 26 11.568 -5.304 0.623 1.00 0.68 C ATOM 436 CG LEU A 26 11.167 -3.799 0.541 1.00 0.80 C ATOM 437 CD1 LEU A 26 10.954 -3.307 -0.910 1.00 1.21 C ATOM 438 CD2 LEU A 26 9.839 -3.619 1.294 1.00 1.22 C ATOM 0 H LEU A 26 10.929 -5.935 -1.741 1.00 0.65 H new ATOM 0 HA LEU A 26 13.302 -4.813 -0.536 1.00 0.67 H new ATOM 0 HB2 LEU A 26 10.684 -5.927 0.488 1.00 0.68 H new ATOM 0 HB3 LEU A 26 11.965 -5.525 1.614 1.00 0.68 H new ATOM 0 HG LEU A 26 11.982 -3.219 0.974 1.00 0.80 H new ATOM 0 HD11 LEU A 26 10.677 -2.253 -0.900 1.00 1.21 H new ATOM 0 HD12 LEU A 26 11.876 -3.434 -1.476 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.158 -3.887 -1.378 1.00 1.21 H new ATOM 0 HD21 LEU A 26 9.536 -2.573 1.252 1.00 1.22 H new ATOM 0 HD22 LEU A 26 9.071 -4.239 0.831 1.00 1.22 H new ATOM 0 HD23 LEU A 26 9.967 -3.918 2.334 1.00 1.22 H new ATOM 450 N ASN A 27 12.712 -8.021 -0.213 1.00 0.60 N ATOM 451 CA ASN A 27 13.383 -9.278 0.187 1.00 0.66 C ATOM 452 C ASN A 27 14.609 -9.579 -0.658 1.00 0.68 C ATOM 453 O ASN A 27 15.686 -9.747 -0.120 1.00 0.79 O ATOM 454 CB ASN A 27 12.423 -10.434 0.058 1.00 0.76 C ATOM 455 CG ASN A 27 13.188 -11.705 0.400 1.00 1.02 C ATOM 456 OD1 ASN A 27 13.752 -11.834 1.469 1.00 1.70 O ATOM 457 ND2 ASN A 27 13.228 -12.665 -0.479 1.00 1.70 N ATOM 0 H ASN A 27 11.777 -8.114 -0.609 1.00 0.60 H new ATOM 0 HA ASN A 27 13.704 -9.147 1.221 1.00 0.66 H new ATOM 0 HB2 ASN A 27 11.575 -10.305 0.730 1.00 0.76 H new ATOM 0 HB3 ASN A 27 12.022 -10.488 -0.954 1.00 0.76 H new ATOM 0 HD21 ASN A 27 13.733 -13.526 -0.271 1.00 1.70 H new ATOM 0 HD22 ASN A 27 12.754 -12.556 -1.376 1.00 1.70 H new ATOM 464 N GLU A 28 14.451 -9.640 -1.949 1.00 0.70 N ATOM 465 CA GLU A 28 15.639 -9.965 -2.779 1.00 0.83 C ATOM 466 C GLU A 28 16.733 -8.913 -2.622 1.00 0.86 C ATOM 467 O GLU A 28 17.903 -9.231 -2.688 1.00 0.97 O ATOM 468 CB GLU A 28 15.272 -10.038 -4.271 1.00 1.00 C ATOM 469 CG GLU A 28 13.823 -10.490 -4.500 1.00 1.12 C ATOM 470 CD GLU A 28 13.491 -11.715 -3.656 1.00 1.86 C ATOM 471 OE1 GLU A 28 14.338 -12.588 -3.587 1.00 2.24 O ATOM 472 OE2 GLU A 28 12.396 -11.697 -3.123 1.00 2.61 O ATOM 0 H GLU A 28 13.578 -9.484 -2.453 1.00 0.70 H new ATOM 0 HA GLU A 28 16.001 -10.933 -2.432 1.00 0.83 H new ATOM 0 HB2 GLU A 28 15.420 -9.059 -4.726 1.00 1.00 H new ATOM 0 HB3 GLU A 28 15.948 -10.729 -4.775 1.00 1.00 H new ATOM 0 HG2 GLU A 28 13.141 -9.677 -4.250 1.00 1.12 H new ATOM 0 HG3 GLU A 28 13.673 -10.720 -5.555 1.00 1.12 H new ATOM 479 N LEU A 29 16.356 -7.681 -2.422 1.00 0.84 N ATOM 480 CA LEU A 29 17.419 -6.645 -2.284 1.00 0.98 C ATOM 481 C LEU A 29 17.916 -6.537 -0.851 1.00 1.03 C ATOM 482 O LEU A 29 18.460 -5.517 -0.482 1.00 1.19 O ATOM 483 CB LEU A 29 16.893 -5.263 -2.725 1.00 1.02 C ATOM 484 CG LEU A 29 16.852 -5.140 -4.277 1.00 1.07 C ATOM 485 CD1 LEU A 29 16.080 -6.273 -4.975 1.00 1.79 C ATOM 486 CD2 LEU A 29 16.209 -3.799 -4.640 1.00 1.43 C ATOM 0 H LEU A 29 15.393 -7.353 -2.350 1.00 0.84 H new ATOM 0 HA LEU A 29 18.245 -6.954 -2.925 1.00 0.98 H new ATOM 0 HB2 LEU A 29 15.894 -5.106 -2.319 1.00 1.02 H new ATOM 0 HB3 LEU A 29 17.531 -4.481 -2.313 1.00 1.02 H new ATOM 0 HG LEU A 29 17.881 -5.210 -4.628 1.00 1.07 H new ATOM 0 HD11 LEU A 29 16.098 -6.115 -6.053 1.00 1.79 H new ATOM 0 HD12 LEU A 29 16.547 -7.230 -4.741 1.00 1.79 H new ATOM 0 HD13 LEU A 29 15.047 -6.278 -4.626 1.00 1.79 H new ATOM 0 HD21 LEU A 29 16.172 -3.695 -5.724 1.00 1.43 H new ATOM 0 HD22 LEU A 29 15.197 -3.760 -4.237 1.00 1.43 H new ATOM 0 HD23 LEU A 29 16.800 -2.986 -4.218 1.00 1.43 H new ATOM 498 N ASP A 30 17.714 -7.576 -0.088 1.00 0.98 N ATOM 499 CA ASP A 30 18.186 -7.586 1.323 1.00 1.11 C ATOM 500 C ASP A 30 17.649 -6.387 2.054 1.00 1.16 C ATOM 501 O ASP A 30 18.334 -5.420 2.312 1.00 1.63 O ATOM 502 CB ASP A 30 19.717 -7.534 1.418 1.00 1.35 C ATOM 503 CG ASP A 30 20.079 -7.475 2.903 1.00 1.82 C ATOM 504 OD1 ASP A 30 19.508 -8.257 3.642 1.00 2.23 O ATOM 505 OD2 ASP A 30 20.907 -6.641 3.225 1.00 2.45 O ATOM 0 H ASP A 30 17.237 -8.427 -0.387 1.00 0.98 H new ATOM 0 HA ASP A 30 17.828 -8.515 1.767 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.161 -8.412 0.949 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.105 -6.661 0.893 1.00 1.35 H new ATOM 510 N ALA A 31 16.398 -6.482 2.361 1.00 0.84 N ATOM 511 CA ALA A 31 15.743 -5.388 3.119 1.00 0.87 C ATOM 512 C ALA A 31 14.747 -6.143 3.959 1.00 0.76 C ATOM 513 O ALA A 31 13.562 -5.885 3.931 1.00 0.75 O ATOM 514 CB ALA A 31 15.024 -4.434 2.177 1.00 0.89 C ATOM 0 H ALA A 31 15.795 -7.269 2.122 1.00 0.84 H new ATOM 0 HA ALA A 31 16.437 -4.774 3.693 1.00 0.87 H new ATOM 0 HB1 ALA A 31 14.551 -3.640 2.755 1.00 0.89 H new ATOM 0 HB2 ALA A 31 15.742 -3.999 1.482 1.00 0.89 H new ATOM 0 HB3 ALA A 31 14.263 -4.979 1.618 1.00 0.89 H new ATOM 520 N ASP A 32 15.307 -7.072 4.679 1.00 0.85 N ATOM 521 CA ASP A 32 14.498 -7.944 5.568 1.00 0.87 C ATOM 522 C ASP A 32 13.603 -7.175 6.504 1.00 0.79 C ATOM 523 O ASP A 32 12.435 -7.473 6.586 1.00 0.74 O ATOM 524 CB ASP A 32 15.404 -8.832 6.420 1.00 1.11 C ATOM 525 CG ASP A 32 16.539 -7.999 7.006 1.00 2.05 C ATOM 526 OD1 ASP A 32 16.386 -7.462 8.087 1.00 2.57 O ATOM 527 OD2 ASP A 32 17.541 -7.936 6.318 1.00 2.83 O ATOM 0 H ASP A 32 16.308 -7.266 4.688 1.00 0.85 H new ATOM 0 HA ASP A 32 13.873 -8.538 4.901 1.00 0.87 H new ATOM 0 HB2 ASP A 32 14.827 -9.293 7.222 1.00 1.11 H new ATOM 0 HB3 ASP A 32 15.810 -9.641 5.813 1.00 1.11 H new ATOM 532 N GLU A 33 14.125 -6.209 7.192 1.00 0.86 N ATOM 533 CA GLU A 33 13.231 -5.487 8.121 1.00 0.90 C ATOM 534 C GLU A 33 12.125 -4.818 7.316 1.00 0.78 C ATOM 535 O GLU A 33 11.004 -4.682 7.766 1.00 0.79 O ATOM 536 CB GLU A 33 14.054 -4.428 8.921 1.00 1.07 C ATOM 537 CG GLU A 33 14.397 -3.128 8.157 1.00 1.58 C ATOM 538 CD GLU A 33 15.497 -3.298 7.109 1.00 1.74 C ATOM 539 OE1 GLU A 33 15.331 -4.076 6.192 1.00 2.11 O ATOM 540 OE2 GLU A 33 16.487 -2.611 7.280 1.00 2.15 O ATOM 0 H GLU A 33 15.095 -5.897 7.156 1.00 0.86 H new ATOM 0 HA GLU A 33 12.783 -6.181 8.833 1.00 0.90 H new ATOM 0 HB2 GLU A 33 13.495 -4.163 9.819 1.00 1.07 H new ATOM 0 HB3 GLU A 33 14.985 -4.891 9.250 1.00 1.07 H new ATOM 0 HG2 GLU A 33 13.496 -2.757 7.667 1.00 1.58 H new ATOM 0 HG3 GLU A 33 14.706 -2.367 8.874 1.00 1.58 H new ATOM 547 N GLN A 34 12.458 -4.410 6.125 1.00 0.71 N ATOM 548 CA GLN A 34 11.405 -3.749 5.320 1.00 0.67 C ATOM 549 C GLN A 34 10.437 -4.839 4.921 1.00 0.57 C ATOM 550 O GLN A 34 9.282 -4.569 4.665 1.00 0.53 O ATOM 551 CB GLN A 34 11.961 -3.129 4.039 1.00 0.72 C ATOM 552 CG GLN A 34 13.190 -2.279 4.317 1.00 0.88 C ATOM 553 CD GLN A 34 12.870 -1.223 5.364 1.00 1.49 C ATOM 554 OE1 GLN A 34 11.793 -0.660 5.386 1.00 2.26 O ATOM 555 NE2 GLN A 34 13.784 -0.927 6.246 1.00 1.80 N ATOM 0 H GLN A 34 13.376 -4.501 5.690 1.00 0.71 H new ATOM 0 HA GLN A 34 10.950 -2.951 5.906 1.00 0.67 H new ATOM 0 HB2 GLN A 34 12.216 -3.919 3.333 1.00 0.72 H new ATOM 0 HB3 GLN A 34 11.193 -2.516 3.568 1.00 0.72 H new ATOM 0 HG2 GLN A 34 14.007 -2.911 4.665 1.00 0.88 H new ATOM 0 HG3 GLN A 34 13.526 -1.800 3.397 1.00 0.88 H new ATOM 0 HE21 GLN A 34 14.687 -1.402 6.224 1.00 1.80 H new ATOM 0 HE22 GLN A 34 13.596 -0.221 6.958 1.00 1.80 H new ATOM 564 N ALA A 35 10.924 -6.048 4.868 1.00 0.58 N ATOM 565 CA ALA A 35 10.008 -7.147 4.480 1.00 0.56 C ATOM 566 C ALA A 35 9.007 -7.273 5.603 1.00 0.56 C ATOM 567 O ALA A 35 7.830 -7.227 5.332 1.00 0.54 O ATOM 568 CB ALA A 35 10.742 -8.490 4.330 1.00 0.65 C ATOM 0 H ALA A 35 11.888 -6.314 5.070 1.00 0.58 H new ATOM 0 HA ALA A 35 9.550 -6.919 3.518 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.030 -9.264 4.045 1.00 0.65 H new ATOM 0 HB2 ALA A 35 11.509 -8.402 3.561 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.208 -8.758 5.278 1.00 0.65 H new ATOM 574 N ASP A 36 9.476 -7.419 6.814 1.00 0.62 N ATOM 575 CA ASP A 36 8.532 -7.548 7.969 1.00 0.67 C ATOM 576 C ASP A 36 7.434 -6.519 7.867 1.00 0.60 C ATOM 577 O ASP A 36 6.255 -6.815 7.867 1.00 0.62 O ATOM 578 CB ASP A 36 9.207 -7.290 9.317 1.00 0.79 C ATOM 579 CG ASP A 36 10.200 -8.394 9.642 1.00 1.21 C ATOM 580 OD1 ASP A 36 11.204 -8.430 8.956 1.00 1.67 O ATOM 581 OD2 ASP A 36 9.897 -9.135 10.562 1.00 1.65 O ATOM 0 H ASP A 36 10.466 -7.455 7.055 1.00 0.62 H new ATOM 0 HA ASP A 36 8.157 -8.570 7.923 1.00 0.67 H new ATOM 0 HB2 ASP A 36 9.720 -6.328 9.294 1.00 0.79 H new ATOM 0 HB3 ASP A 36 8.453 -7.230 10.101 1.00 0.79 H new ATOM 586 N ILE A 37 7.867 -5.298 7.786 1.00 0.55 N ATOM 587 CA ILE A 37 6.879 -4.201 7.699 1.00 0.52 C ATOM 588 C ILE A 37 6.003 -4.407 6.466 1.00 0.47 C ATOM 589 O ILE A 37 4.811 -4.176 6.503 1.00 0.50 O ATOM 590 CB ILE A 37 7.645 -2.867 7.615 1.00 0.53 C ATOM 591 CG1 ILE A 37 8.563 -2.678 8.848 1.00 0.68 C ATOM 592 CG2 ILE A 37 6.664 -1.686 7.504 1.00 0.57 C ATOM 593 CD1 ILE A 37 7.756 -2.609 10.153 1.00 1.12 C ATOM 0 H ILE A 37 8.847 -5.016 7.776 1.00 0.55 H new ATOM 0 HA ILE A 37 6.233 -4.189 8.577 1.00 0.52 H new ATOM 0 HB ILE A 37 8.267 -2.894 6.721 1.00 0.53 H new ATOM 0 HG12 ILE A 37 9.273 -3.503 8.903 1.00 0.68 H new ATOM 0 HG13 ILE A 37 9.145 -1.764 8.731 1.00 0.68 H new ATOM 0 HG21 ILE A 37 7.224 -0.752 7.446 1.00 0.57 H new ATOM 0 HG22 ILE A 37 6.056 -1.801 6.607 1.00 0.57 H new ATOM 0 HG23 ILE A 37 6.017 -1.667 8.381 1.00 0.57 H new ATOM 0 HD11 ILE A 37 8.436 -2.476 10.995 1.00 1.12 H new ATOM 0 HD12 ILE A 37 7.064 -1.768 10.109 1.00 1.12 H new ATOM 0 HD13 ILE A 37 7.194 -3.534 10.283 1.00 1.12 H new ATOM 605 N CYS A 38 6.609 -4.844 5.404 1.00 0.45 N ATOM 606 CA CYS A 38 5.831 -5.039 4.156 1.00 0.47 C ATOM 607 C CYS A 38 4.836 -6.180 4.272 1.00 0.50 C ATOM 608 O CYS A 38 3.798 -6.137 3.647 1.00 0.57 O ATOM 609 CB CYS A 38 6.777 -5.335 2.996 1.00 0.48 C ATOM 610 SG CYS A 38 6.024 -5.667 1.387 1.00 0.70 S ATOM 0 H CYS A 38 7.601 -5.073 5.345 1.00 0.45 H new ATOM 0 HA CYS A 38 5.277 -4.117 3.978 1.00 0.47 H new ATOM 0 HB2 CYS A 38 7.453 -4.487 2.885 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.388 -6.196 3.268 1.00 0.48 H new ATOM 0 HG CYS A 38 5.225 -6.688 1.484 1.00 0.70 H new ATOM 616 N GLU A 39 5.144 -7.173 5.050 1.00 0.54 N ATOM 617 CA GLU A 39 4.189 -8.297 5.158 1.00 0.62 C ATOM 618 C GLU A 39 3.024 -7.792 5.970 1.00 0.58 C ATOM 619 O GLU A 39 1.877 -8.036 5.660 1.00 0.57 O ATOM 620 CB GLU A 39 4.879 -9.460 5.849 1.00 0.75 C ATOM 621 CG GLU A 39 5.996 -9.913 4.915 1.00 1.35 C ATOM 622 CD GLU A 39 6.805 -11.002 5.599 1.00 2.07 C ATOM 623 OE1 GLU A 39 6.202 -11.699 6.397 1.00 2.39 O ATOM 624 OE2 GLU A 39 7.978 -11.064 5.276 1.00 2.82 O ATOM 0 H GLU A 39 5.997 -7.254 5.604 1.00 0.54 H new ATOM 0 HA GLU A 39 3.843 -8.645 4.185 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.280 -9.155 6.815 1.00 0.75 H new ATOM 0 HB3 GLU A 39 4.177 -10.272 6.037 1.00 0.75 H new ATOM 0 HG2 GLU A 39 5.577 -10.287 3.981 1.00 1.35 H new ATOM 0 HG3 GLU A 39 6.639 -9.070 4.661 1.00 1.35 H new ATOM 631 N SER A 40 3.361 -7.084 7.002 1.00 0.63 N ATOM 632 CA SER A 40 2.293 -6.530 7.856 1.00 0.64 C ATOM 633 C SER A 40 1.493 -5.557 6.991 1.00 0.58 C ATOM 634 O SER A 40 0.307 -5.369 7.167 1.00 0.63 O ATOM 635 CB SER A 40 2.971 -5.835 9.013 1.00 0.72 C ATOM 636 OG SER A 40 3.892 -6.826 9.451 1.00 0.77 O ATOM 0 H SER A 40 4.316 -6.868 7.287 1.00 0.63 H new ATOM 0 HA SER A 40 1.614 -7.285 8.252 1.00 0.64 H new ATOM 0 HB2 SER A 40 3.474 -4.919 8.702 1.00 0.72 H new ATOM 0 HB3 SER A 40 2.264 -5.560 9.796 1.00 0.72 H new ATOM 0 HG SER A 40 4.751 -6.697 8.997 1.00 0.77 H new ATOM 642 N LEU A 41 2.177 -4.956 6.061 1.00 0.54 N ATOM 643 CA LEU A 41 1.495 -3.982 5.173 1.00 0.53 C ATOM 644 C LEU A 41 0.650 -4.778 4.206 1.00 0.50 C ATOM 645 O LEU A 41 -0.370 -4.328 3.729 1.00 0.55 O ATOM 646 CB LEU A 41 2.521 -3.193 4.389 1.00 0.56 C ATOM 647 CG LEU A 41 1.889 -1.949 3.723 1.00 0.63 C ATOM 648 CD1 LEU A 41 1.452 -0.926 4.791 1.00 1.05 C ATOM 649 CD2 LEU A 41 2.934 -1.293 2.817 1.00 1.22 C ATOM 0 H LEU A 41 3.171 -5.096 5.879 1.00 0.54 H new ATOM 0 HA LEU A 41 0.890 -3.290 5.759 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.327 -2.882 5.053 1.00 0.56 H new ATOM 0 HB3 LEU A 41 2.966 -3.830 3.625 1.00 0.56 H new ATOM 0 HG LEU A 41 1.016 -2.259 3.149 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.010 -0.057 4.303 1.00 1.05 H new ATOM 0 HD12 LEU A 41 0.717 -1.383 5.454 1.00 1.05 H new ATOM 0 HD13 LEU A 41 2.320 -0.613 5.372 1.00 1.05 H new ATOM 0 HD21 LEU A 41 2.501 -0.413 2.340 1.00 1.22 H new ATOM 0 HD22 LEU A 41 3.797 -0.995 3.413 1.00 1.22 H new ATOM 0 HD23 LEU A 41 3.249 -2.002 2.052 1.00 1.22 H new ATOM 661 N HIS A 42 1.121 -5.953 3.938 1.00 0.50 N ATOM 662 CA HIS A 42 0.398 -6.837 2.988 1.00 0.53 C ATOM 663 C HIS A 42 -0.950 -7.178 3.587 1.00 0.55 C ATOM 664 O HIS A 42 -1.967 -7.064 2.931 1.00 0.63 O ATOM 665 CB HIS A 42 1.204 -8.110 2.768 1.00 0.54 C ATOM 666 CG HIS A 42 1.130 -8.501 1.294 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.103 -8.993 0.681 1.00 0.61 N ATOM 668 CD2 HIS A 42 2.111 -8.423 0.321 1.00 1.21 C ATOM 669 CE1 HIS A 42 0.407 -9.204 -0.561 1.00 0.64 C ATOM 670 NE2 HIS A 42 1.641 -8.863 -0.828 1.00 1.13 N ATOM 0 H HIS A 42 1.976 -6.344 4.334 1.00 0.50 H new ATOM 0 HA HIS A 42 0.263 -6.335 2.030 1.00 0.53 H new ATOM 0 HB2 HIS A 42 2.241 -7.954 3.064 1.00 0.54 H new ATOM 0 HB3 HIS A 42 0.813 -8.915 3.390 1.00 0.54 H new ATOM 0 HD1 HIS A 42 -0.803 -9.185 1.108 1.00 0.61 H new ATOM 0 HD2 HIS A 42 3.114 -8.056 0.480 1.00 1.21 H new ATOM 0 HE1 HIS A 42 -0.278 -9.613 -1.289 1.00 0.64 H new ATOM 678 N ASP A 43 -0.929 -7.593 4.822 1.00 0.56 N ATOM 679 CA ASP A 43 -2.225 -7.937 5.469 1.00 0.64 C ATOM 680 C ASP A 43 -3.034 -6.681 5.578 1.00 0.60 C ATOM 681 O ASP A 43 -4.218 -6.663 5.328 1.00 0.62 O ATOM 682 CB ASP A 43 -2.065 -8.446 6.880 1.00 0.80 C ATOM 683 CG ASP A 43 -3.476 -8.446 7.468 1.00 1.22 C ATOM 684 OD1 ASP A 43 -4.256 -9.265 7.016 1.00 1.86 O ATOM 685 OD2 ASP A 43 -3.717 -7.626 8.337 1.00 1.51 O ATOM 0 H ASP A 43 -0.095 -7.707 5.399 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.688 -8.714 4.860 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -1.634 -9.447 6.891 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -1.398 -7.805 7.457 1.00 0.80 H new ATOM 690 N HIS A 44 -2.347 -5.649 5.959 1.00 0.60 N ATOM 691 CA HIS A 44 -3.016 -4.337 6.119 1.00 0.63 C ATOM 692 C HIS A 44 -3.645 -3.930 4.796 1.00 0.60 C ATOM 693 O HIS A 44 -4.665 -3.273 4.754 1.00 0.68 O ATOM 694 CB HIS A 44 -1.984 -3.307 6.535 1.00 0.65 C ATOM 695 CG HIS A 44 -2.661 -1.961 6.762 1.00 1.02 C ATOM 696 ND1 HIS A 44 -3.356 -1.635 7.803 1.00 1.67 N ATOM 697 CD2 HIS A 44 -2.685 -0.836 5.960 1.00 1.54 C ATOM 698 CE1 HIS A 44 -3.778 -0.418 7.670 1.00 2.24 C ATOM 699 NE2 HIS A 44 -3.384 0.117 6.540 1.00 2.16 N ATOM 0 H HIS A 44 -1.348 -5.657 6.167 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.793 -4.403 6.880 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -1.481 -3.630 7.447 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -1.218 -3.214 5.765 1.00 0.65 H new ATOM 0 HD2 HIS A 44 -2.201 -0.751 4.998 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -4.383 0.095 8.403 1.00 2.24 H new ATOM 0 HE2 HIS A 44 -3.575 1.056 6.190 1.00 2.16 H new ATOM 707 N ALA A 45 -3.028 -4.332 3.724 1.00 0.57 N ATOM 708 CA ALA A 45 -3.597 -3.951 2.408 1.00 0.62 C ATOM 709 C ALA A 45 -4.839 -4.786 2.249 1.00 0.59 C ATOM 710 O ALA A 45 -5.826 -4.361 1.684 1.00 0.61 O ATOM 711 CB ALA A 45 -2.627 -4.281 1.276 1.00 0.70 C ATOM 0 H ALA A 45 -2.177 -4.893 3.700 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.799 -2.881 2.366 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -3.069 -3.992 0.322 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.695 -3.735 1.425 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.424 -5.352 1.272 1.00 0.70 H new ATOM 717 N ASP A 46 -4.761 -5.980 2.759 1.00 0.60 N ATOM 718 CA ASP A 46 -5.954 -6.847 2.639 1.00 0.65 C ATOM 719 C ASP A 46 -6.953 -6.337 3.651 1.00 0.65 C ATOM 720 O ASP A 46 -8.126 -6.588 3.527 1.00 0.65 O ATOM 721 CB ASP A 46 -5.623 -8.304 2.965 1.00 0.76 C ATOM 722 CG ASP A 46 -6.870 -9.173 2.760 1.00 0.88 C ATOM 723 OD1 ASP A 46 -7.712 -8.794 1.964 1.00 1.04 O ATOM 724 OD2 ASP A 46 -6.920 -10.196 3.413 1.00 1.45 O ATOM 0 H ASP A 46 -3.953 -6.380 3.237 1.00 0.60 H new ATOM 0 HA ASP A 46 -6.336 -6.816 1.619 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.813 -8.655 2.325 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -5.275 -8.387 3.995 1.00 0.76 H new ATOM 729 N GLU A 47 -6.510 -5.625 4.644 1.00 0.71 N ATOM 730 CA GLU A 47 -7.509 -5.129 5.617 1.00 0.81 C ATOM 731 C GLU A 47 -8.253 -4.050 4.878 1.00 0.75 C ATOM 732 O GLU A 47 -9.453 -3.916 4.986 1.00 0.81 O ATOM 733 CB GLU A 47 -6.809 -4.549 6.859 1.00 0.97 C ATOM 734 CG GLU A 47 -7.843 -3.939 7.811 1.00 1.17 C ATOM 735 CD GLU A 47 -8.922 -4.976 8.087 1.00 1.52 C ATOM 736 OE1 GLU A 47 -8.585 -5.944 8.744 1.00 2.02 O ATOM 737 OE2 GLU A 47 -10.023 -4.747 7.622 1.00 1.97 O ATOM 0 H GLU A 47 -5.537 -5.373 4.820 1.00 0.71 H new ATOM 0 HA GLU A 47 -8.170 -5.919 5.973 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.251 -5.333 7.370 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -6.088 -3.789 6.558 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -7.366 -3.633 8.742 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -8.282 -3.045 7.369 1.00 1.17 H new ATOM 744 N LEU A 48 -7.513 -3.300 4.118 1.00 0.72 N ATOM 745 CA LEU A 48 -8.168 -2.211 3.355 1.00 0.77 C ATOM 746 C LEU A 48 -9.128 -2.876 2.372 1.00 0.68 C ATOM 747 O LEU A 48 -9.954 -2.230 1.767 1.00 0.93 O ATOM 748 CB LEU A 48 -7.091 -1.404 2.612 1.00 0.85 C ATOM 749 CG LEU A 48 -7.680 -0.119 1.977 1.00 0.87 C ATOM 750 CD1 LEU A 48 -8.229 0.824 3.070 1.00 1.52 C ATOM 751 CD2 LEU A 48 -6.566 0.607 1.207 1.00 1.40 C ATOM 0 H LEU A 48 -6.505 -3.390 3.993 1.00 0.72 H new ATOM 0 HA LEU A 48 -8.713 -1.526 4.005 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -6.293 -1.136 3.305 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -6.643 -2.023 1.834 1.00 0.85 H new ATOM 0 HG LEU A 48 -8.495 -0.395 1.307 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -8.638 1.721 2.605 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -9.014 0.315 3.629 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.423 1.103 3.748 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -6.968 1.514 0.755 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -5.761 0.870 1.893 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -6.178 -0.047 0.426 1.00 1.40 H new ATOM 763 N TYR A 49 -9.000 -4.162 2.225 1.00 0.59 N ATOM 764 CA TYR A 49 -9.901 -4.886 1.297 1.00 0.54 C ATOM 765 C TYR A 49 -11.022 -5.479 2.153 1.00 0.59 C ATOM 766 O TYR A 49 -12.144 -5.613 1.712 1.00 0.82 O ATOM 767 CB TYR A 49 -9.091 -5.985 0.608 1.00 0.61 C ATOM 768 CG TYR A 49 -9.883 -6.688 -0.495 1.00 0.64 C ATOM 769 CD1 TYR A 49 -10.800 -7.670 -0.185 1.00 1.29 C ATOM 770 CD2 TYR A 49 -9.683 -6.356 -1.819 1.00 1.33 C ATOM 771 CE1 TYR A 49 -11.503 -8.310 -1.181 1.00 1.32 C ATOM 772 CE2 TYR A 49 -10.388 -6.998 -2.814 1.00 1.40 C ATOM 773 CZ TYR A 49 -11.302 -7.977 -2.504 1.00 0.85 C ATOM 774 OH TYR A 49 -12.000 -8.608 -3.512 1.00 0.99 O ATOM 0 H TYR A 49 -8.312 -4.740 2.707 1.00 0.59 H new ATOM 0 HA TYR A 49 -10.325 -4.240 0.528 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -8.186 -5.553 0.182 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -8.775 -6.719 1.349 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -10.968 -7.939 0.847 1.00 1.29 H new ATOM 0 HD2 TYR A 49 -8.969 -5.588 -2.077 1.00 1.33 H new ATOM 0 HE1 TYR A 49 -12.217 -9.078 -0.924 1.00 1.32 H new ATOM 0 HE2 TYR A 49 -10.221 -6.730 -3.847 1.00 1.40 H new ATOM 0 HH TYR A 49 -11.727 -8.241 -4.379 1.00 0.99 H new ATOM 784 N ARG A 50 -10.694 -5.815 3.369 1.00 0.71 N ATOM 785 CA ARG A 50 -11.697 -6.432 4.276 1.00 0.95 C ATOM 786 C ARG A 50 -12.664 -5.421 4.858 1.00 1.15 C ATOM 787 O ARG A 50 -13.846 -5.500 4.599 1.00 1.19 O ATOM 788 CB ARG A 50 -10.992 -7.137 5.438 1.00 1.20 C ATOM 789 CG ARG A 50 -10.266 -8.399 4.946 1.00 1.44 C ATOM 790 CD ARG A 50 -9.527 -9.045 6.138 1.00 1.54 C ATOM 791 NE ARG A 50 -8.669 -8.022 6.803 1.00 1.70 N ATOM 792 CZ ARG A 50 -7.365 -8.199 6.842 1.00 1.79 C ATOM 793 NH1 ARG A 50 -6.788 -8.721 5.787 1.00 2.21 N ATOM 794 NH2 ARG A 50 -6.696 -7.851 7.918 1.00 2.29 N ATOM 0 H ARG A 50 -9.767 -5.687 3.775 1.00 0.71 H new ATOM 0 HA ARG A 50 -12.263 -7.140 3.670 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -10.277 -6.458 5.902 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -11.720 -7.405 6.203 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -10.980 -9.103 4.519 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -9.559 -8.144 4.157 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -10.246 -9.450 6.850 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -8.916 -9.879 5.792 1.00 1.54 H new ATOM 0 HE ARG A 50 -9.089 -7.193 7.224 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -7.348 -8.975 4.973 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -5.779 -8.873 5.780 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -7.187 -7.447 8.715 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -5.686 -7.985 7.956 1.00 2.29 H new ATOM 808 N SER A 51 -12.164 -4.500 5.631 1.00 1.40 N ATOM 809 CA SER A 51 -13.084 -3.507 6.230 1.00 1.77 C ATOM 810 C SER A 51 -13.899 -2.838 5.132 1.00 1.70 C ATOM 811 O SER A 51 -15.083 -2.608 5.276 1.00 1.91 O ATOM 812 CB SER A 51 -12.230 -2.507 6.999 1.00 2.04 C ATOM 813 OG SER A 51 -11.157 -2.240 6.109 1.00 2.11 O ATOM 0 H SER A 51 -11.178 -4.395 5.869 1.00 1.40 H new ATOM 0 HA SER A 51 -13.794 -3.974 6.912 1.00 1.77 H new ATOM 0 HB2 SER A 51 -12.788 -1.602 7.239 1.00 2.04 H new ATOM 0 HB3 SER A 51 -11.876 -2.922 7.943 1.00 2.04 H new ATOM 0 HG SER A 51 -10.400 -2.823 6.326 1.00 2.11 H new ATOM 819 N CYS A 52 -13.239 -2.541 4.053 1.00 1.50 N ATOM 820 CA CYS A 52 -13.987 -1.905 2.946 1.00 1.60 C ATOM 821 C CYS A 52 -15.047 -2.878 2.473 1.00 1.30 C ATOM 822 O CYS A 52 -16.184 -2.505 2.279 1.00 1.42 O ATOM 823 CB CYS A 52 -13.049 -1.586 1.796 1.00 1.71 C ATOM 824 SG CYS A 52 -11.828 -0.277 2.060 1.00 2.41 S ATOM 0 H CYS A 52 -12.245 -2.705 3.893 1.00 1.50 H new ATOM 0 HA CYS A 52 -14.443 -0.977 3.292 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -12.514 -2.499 1.534 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -13.655 -1.313 0.932 1.00 1.71 H new ATOM 0 HG CYS A 52 -10.633 -0.789 2.048 1.00 2.41 H new ATOM 830 N LEU A 53 -14.658 -4.110 2.303 1.00 1.00 N ATOM 831 CA LEU A 53 -15.654 -5.110 1.836 1.00 0.95 C ATOM 832 C LEU A 53 -16.766 -5.215 2.857 1.00 1.09 C ATOM 833 O LEU A 53 -17.867 -5.595 2.524 1.00 1.19 O ATOM 834 CB LEU A 53 -14.980 -6.485 1.666 1.00 0.98 C ATOM 835 CG LEU A 53 -16.008 -7.592 1.318 1.00 1.21 C ATOM 836 CD1 LEU A 53 -16.768 -7.262 0.020 1.00 1.56 C ATOM 837 CD2 LEU A 53 -15.243 -8.907 1.116 1.00 1.58 C ATOM 0 H LEU A 53 -13.714 -4.462 2.463 1.00 1.00 H new ATOM 0 HA LEU A 53 -16.061 -4.794 0.876 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -14.229 -6.426 0.879 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -14.458 -6.750 2.586 1.00 0.98 H new ATOM 0 HG LEU A 53 -16.731 -7.669 2.130 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -17.481 -8.057 -0.196 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -17.302 -6.319 0.140 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -16.060 -7.175 -0.804 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -15.946 -9.703 0.870 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -14.527 -8.790 0.302 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -14.712 -9.163 2.033 1.00 1.58 H new ATOM 849 N ALA A 54 -16.482 -4.883 4.081 1.00 1.32 N ATOM 850 CA ALA A 54 -17.575 -4.995 5.077 1.00 1.66 C ATOM 851 C ALA A 54 -18.585 -3.917 4.753 1.00 1.77 C ATOM 852 O ALA A 54 -19.774 -4.141 4.819 1.00 2.00 O ATOM 853 CB ALA A 54 -17.054 -4.766 6.495 1.00 1.85 C ATOM 0 H ALA A 54 -15.581 -4.553 4.425 1.00 1.32 H new ATOM 0 HA ALA A 54 -18.011 -5.993 5.032 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -17.877 -4.854 7.204 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -16.293 -5.511 6.728 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.619 -3.769 6.566 1.00 1.85 H new ATOM 859 N ARG A 55 -18.094 -2.761 4.407 1.00 1.75 N ATOM 860 CA ARG A 55 -19.057 -1.675 4.091 1.00 1.93 C ATOM 861 C ARG A 55 -19.619 -1.831 2.698 1.00 1.58 C ATOM 862 O ARG A 55 -20.655 -1.283 2.386 1.00 1.71 O ATOM 863 CB ARG A 55 -18.399 -0.314 4.136 1.00 2.36 C ATOM 864 CG ARG A 55 -17.896 -0.011 5.547 1.00 2.73 C ATOM 865 CD ARG A 55 -17.699 1.508 5.632 1.00 3.04 C ATOM 866 NE ARG A 55 -19.003 2.140 5.289 1.00 2.92 N ATOM 867 CZ ARG A 55 -19.013 3.366 4.820 1.00 3.13 C ATOM 868 NH1 ARG A 55 -18.951 4.347 5.689 1.00 3.65 N ATOM 869 NH2 ARG A 55 -19.088 3.547 3.517 1.00 3.41 N ATOM 0 H ARG A 55 -17.104 -2.526 4.331 1.00 1.75 H new ATOM 0 HA ARG A 55 -19.843 -1.747 4.843 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -17.567 -0.282 3.432 1.00 2.36 H new ATOM 0 HB3 ARG A 55 -19.110 0.451 3.825 1.00 2.36 H new ATOM 0 HG2 ARG A 55 -18.614 -0.350 6.294 1.00 2.73 H new ATOM 0 HG3 ARG A 55 -16.960 -0.534 5.744 1.00 2.73 H new ATOM 0 HD2 ARG A 55 -17.382 1.800 6.633 1.00 3.04 H new ATOM 0 HD3 ARG A 55 -16.920 1.834 4.943 1.00 3.04 H new ATOM 0 HE ARG A 55 -19.876 1.628 5.417 1.00 2.92 H new ATOM 0 HH11 ARG A 55 -18.898 4.142 6.687 1.00 3.65 H new ATOM 0 HH12 ARG A 55 -18.956 5.315 5.367 1.00 3.65 H new ATOM 0 HH21 ARG A 55 -19.137 2.742 2.892 1.00 3.41 H new ATOM 0 HH22 ARG A 55 -19.097 4.492 3.133 1.00 3.41 H new ATOM 883 N PHE A 56 -18.924 -2.565 1.889 1.00 1.42 N ATOM 884 CA PHE A 56 -19.407 -2.734 0.500 1.00 1.63 C ATOM 885 C PHE A 56 -20.326 -3.929 0.430 1.00 2.45 C ATOM 886 O PHE A 56 -21.144 -4.045 -0.461 1.00 3.11 O ATOM 887 CB PHE A 56 -18.212 -2.942 -0.407 1.00 1.48 C ATOM 888 CG PHE A 56 -17.269 -1.723 -0.372 1.00 1.19 C ATOM 889 CD1 PHE A 56 -17.615 -0.494 0.176 1.00 1.63 C ATOM 890 CD2 PHE A 56 -16.016 -1.869 -0.920 1.00 1.30 C ATOM 891 CE1 PHE A 56 -16.716 0.554 0.166 1.00 1.51 C ATOM 892 CE2 PHE A 56 -15.118 -0.827 -0.932 1.00 1.24 C ATOM 893 CZ PHE A 56 -15.467 0.389 -0.388 1.00 0.99 C ATOM 0 H PHE A 56 -18.057 -3.049 2.122 1.00 1.42 H new ATOM 0 HA PHE A 56 -19.957 -1.849 0.182 1.00 1.63 H new ATOM 0 HB2 PHE A 56 -17.668 -3.835 -0.098 1.00 1.48 H new ATOM 0 HB3 PHE A 56 -18.552 -3.113 -1.428 1.00 1.48 H new ATOM 0 HD1 PHE A 56 -18.593 -0.358 0.613 1.00 1.63 H new ATOM 0 HD2 PHE A 56 -15.732 -2.819 -1.349 1.00 1.30 H new ATOM 0 HE1 PHE A 56 -16.994 1.506 0.594 1.00 1.51 H new ATOM 0 HE2 PHE A 56 -14.139 -0.963 -1.368 1.00 1.24 H new ATOM 0 HZ PHE A 56 -14.764 1.209 -0.396 1.00 0.99 H new ATOM 903 N GLY A 57 -20.159 -4.795 1.383 1.00 2.70 N ATOM 904 CA GLY A 57 -21.001 -6.011 1.422 1.00 3.77 C ATOM 905 C GLY A 57 -22.173 -5.668 2.318 1.00 4.43 C ATOM 906 O GLY A 57 -22.257 -6.143 3.434 1.00 4.85 O ATOM 0 H GLY A 57 -19.476 -4.712 2.136 1.00 2.70 H new ATOM 0 HA2 GLY A 57 -21.339 -6.286 0.423 1.00 3.77 H new ATOM 0 HA3 GLY A 57 -20.443 -6.861 1.815 1.00 3.77 H new ATOM 910 N ASP A 58 -23.040 -4.847 1.797 1.00 4.82 N ATOM 911 CA ASP A 58 -24.230 -4.430 2.586 1.00 5.78 C ATOM 912 C ASP A 58 -24.978 -5.698 2.918 1.00 6.31 C ATOM 913 O ASP A 58 -25.142 -6.541 2.058 1.00 6.58 O ATOM 914 CB ASP A 58 -25.225 -3.568 1.802 1.00 6.24 C ATOM 915 CG ASP A 58 -24.561 -2.696 0.740 1.00 6.76 C ATOM 916 OD1 ASP A 58 -23.407 -2.337 0.902 1.00 6.88 O ATOM 917 OD2 ASP A 58 -25.259 -2.425 -0.224 1.00 7.19 O ATOM 0 H ASP A 58 -22.976 -4.448 0.861 1.00 4.82 H new ATOM 0 HA ASP A 58 -23.872 -3.852 3.438 1.00 5.78 H new ATOM 0 HB2 ASP A 58 -25.959 -4.217 1.323 1.00 6.24 H new ATOM 0 HB3 ASP A 58 -25.770 -2.930 2.498 1.00 6.24 H new ATOM 922 N ASP A 59 -25.415 -5.818 4.137 1.00 6.74 N ATOM 923 CA ASP A 59 -26.179 -7.044 4.489 1.00 7.58 C ATOM 924 C ASP A 59 -27.532 -6.786 3.878 1.00 8.01 C ATOM 925 O ASP A 59 -28.149 -7.638 3.274 1.00 8.18 O ATOM 926 CB ASP A 59 -26.341 -7.185 5.981 1.00 8.09 C ATOM 927 CG ASP A 59 -27.357 -8.284 6.240 1.00 8.40 C ATOM 928 OD1 ASP A 59 -27.024 -9.422 5.958 1.00 8.56 O ATOM 929 OD2 ASP A 59 -28.414 -7.911 6.712 1.00 8.62 O ATOM 0 H ASP A 59 -25.282 -5.141 4.888 1.00 6.74 H new ATOM 0 HA ASP A 59 -25.685 -7.951 4.140 1.00 7.58 H new ATOM 0 HB2 ASP A 59 -25.387 -7.431 6.447 1.00 8.09 H new ATOM 0 HB3 ASP A 59 -26.676 -6.245 6.419 1.00 8.09 H new ATOM 934 N GLY A 60 -27.951 -5.570 4.063 1.00 8.32 N ATOM 935 CA GLY A 60 -29.254 -5.148 3.506 1.00 8.93 C ATOM 936 C GLY A 60 -30.395 -5.495 4.448 1.00 9.28 C ATOM 937 O GLY A 60 -31.215 -4.655 4.766 1.00 9.74 O ATOM 0 H GLY A 60 -27.444 -4.850 4.578 1.00 8.32 H new ATOM 0 HA2 GLY A 60 -29.243 -4.073 3.324 1.00 8.93 H new ATOM 0 HA3 GLY A 60 -29.414 -5.633 2.543 1.00 8.93 H new ATOM 941 N GLU A 61 -30.430 -6.719 4.884 1.00 9.25 N ATOM 942 CA GLU A 61 -31.541 -7.123 5.776 1.00 9.85 C ATOM 943 C GLU A 61 -31.257 -6.715 7.215 1.00 10.44 C ATOM 944 O GLU A 61 -31.988 -7.074 8.118 1.00 10.96 O ATOM 945 CB GLU A 61 -31.709 -8.637 5.678 1.00 9.95 C ATOM 946 CG GLU A 61 -31.745 -9.037 4.194 1.00 9.52 C ATOM 947 CD GLU A 61 -32.852 -8.242 3.512 1.00 9.36 C ATOM 948 OE1 GLU A 61 -33.987 -8.480 3.888 1.00 9.60 O ATOM 949 OE2 GLU A 61 -32.499 -7.445 2.658 1.00 9.14 O ATOM 0 H GLU A 61 -29.749 -7.446 4.665 1.00 9.25 H new ATOM 0 HA GLU A 61 -32.459 -6.622 5.467 1.00 9.85 H new ATOM 0 HB2 GLU A 61 -30.886 -9.141 6.185 1.00 9.95 H new ATOM 0 HB3 GLU A 61 -32.628 -8.948 6.175 1.00 9.95 H new ATOM 0 HG2 GLU A 61 -30.784 -8.832 3.722 1.00 9.52 H new ATOM 0 HG3 GLU A 61 -31.928 -10.107 4.093 1.00 9.52 H new ATOM 956 N ASN A 62 -30.207 -5.975 7.421 1.00 10.52 N ATOM 957 CA ASN A 62 -29.890 -5.554 8.812 1.00 11.24 C ATOM 958 C ASN A 62 -28.875 -4.449 8.701 1.00 11.48 C ATOM 959 O ASN A 62 -28.926 -3.469 9.416 1.00 11.62 O ATOM 960 CB ASN A 62 -29.275 -6.699 9.602 1.00 11.72 C ATOM 961 CG ASN A 62 -29.034 -6.217 11.036 1.00 12.30 C ATOM 962 OD1 ASN A 62 -28.058 -5.387 11.294 1.00 12.60 O flip ATOM 963 ND2 ASN A 62 -29.740 -6.595 11.951 1.00 12.60 N flip ATOM 0 H ASN A 62 -29.564 -5.647 6.701 1.00 10.52 H new ATOM 0 HA ASN A 62 -30.798 -5.238 9.325 1.00 11.24 H new ATOM 0 HB2 ASN A 62 -29.939 -7.563 9.598 1.00 11.72 H new ATOM 0 HB3 ASN A 62 -28.337 -7.016 9.145 1.00 11.72 H new ATOM 0 HD21 ASN A 62 -30.507 -7.243 11.770 1.00 12.60 H new ATOM 0 HD22 ASN A 62 -29.565 -6.264 12.900 1.00 12.60 H new ATOM 970 N LEU A 63 -27.970 -4.662 7.791 1.00 11.67 N ATOM 971 CA LEU A 63 -26.901 -3.660 7.543 1.00 12.09 C ATOM 972 C LEU A 63 -27.085 -3.364 6.077 1.00 12.33 C ATOM 973 O LEU A 63 -28.245 -3.258 5.732 1.00 12.50 O ATOM 974 CB LEU A 63 -25.498 -4.246 7.761 1.00 12.49 C ATOM 975 CG LEU A 63 -25.384 -4.875 9.157 1.00 12.64 C ATOM 976 CD1 LEU A 63 -24.003 -5.541 9.279 1.00 12.78 C ATOM 977 CD2 LEU A 63 -25.506 -3.774 10.231 1.00 12.96 C ATOM 978 OXT LEU A 63 -26.083 -3.272 5.395 1.00 12.46 O ATOM 0 H LEU A 63 -27.925 -5.495 7.203 1.00 11.67 H new ATOM 0 HA LEU A 63 -26.973 -2.799 8.208 1.00 12.09 H new ATOM 0 HB2 LEU A 63 -25.290 -4.998 7.000 1.00 12.49 H new ATOM 0 HB3 LEU A 63 -24.749 -3.462 7.648 1.00 12.49 H new ATOM 0 HG LEU A 63 -26.177 -5.610 9.299 1.00 12.64 H new ATOM 0 HD11 LEU A 63 -23.903 -5.994 10.265 1.00 12.78 H new ATOM 0 HD12 LEU A 63 -23.902 -6.311 8.514 1.00 12.78 H new ATOM 0 HD13 LEU A 63 -23.224 -4.791 9.144 1.00 12.78 H new ATOM 0 HD21 LEU A 63 -25.425 -4.221 11.222 1.00 12.96 H new ATOM 0 HD22 LEU A 63 -24.708 -3.044 10.096 1.00 12.96 H new ATOM 0 HD23 LEU A 63 -26.472 -3.278 10.135 1.00 12.96 H new TER 990 LEU A 63 ATOM 991 N MET B 1 23.249 -0.440 -1.326 1.00 3.37 N ATOM 992 CA MET B 1 24.511 -0.918 -1.932 1.00 3.57 C ATOM 993 C MET B 1 24.582 -0.385 -3.352 1.00 3.47 C ATOM 994 O MET B 1 25.658 -0.147 -3.862 1.00 4.06 O ATOM 995 CB MET B 1 24.572 -2.451 -2.014 1.00 3.97 C ATOM 996 CG MET B 1 24.267 -3.061 -0.643 1.00 4.33 C ATOM 997 SD MET B 1 25.329 -2.561 0.737 1.00 4.83 S ATOM 998 CE MET B 1 26.646 -3.777 0.485 1.00 5.37 C ATOM 0 H1 MET B 1 23.424 -0.152 -0.342 1.00 3.37 H new ATOM 0 H2 MET B 1 22.891 0.373 -1.866 1.00 3.37 H new ATOM 0 H3 MET B 1 22.544 -1.205 -1.343 1.00 3.37 H new ATOM 0 HA MET B 1 25.335 -0.570 -1.310 1.00 3.57 H new ATOM 0 HB2 MET B 1 23.854 -2.813 -2.750 1.00 3.97 H new ATOM 0 HB3 MET B 1 25.560 -2.766 -2.350 1.00 3.97 H new ATOM 0 HG2 MET B 1 23.237 -2.814 -0.384 1.00 4.33 H new ATOM 0 HG3 MET B 1 24.321 -4.146 -0.736 1.00 4.33 H new ATOM 0 HE1 MET B 1 27.417 -3.641 1.244 1.00 5.37 H new ATOM 0 HE2 MET B 1 26.233 -4.783 0.564 1.00 5.37 H new ATOM 0 HE3 MET B 1 27.083 -3.641 -0.504 1.00 5.37 H new ATOM 1010 N THR B 2 23.444 -0.208 -3.962 1.00 2.92 N ATOM 1011 CA THR B 2 23.423 0.307 -5.344 1.00 2.99 C ATOM 1012 C THR B 2 22.099 1.040 -5.522 1.00 2.72 C ATOM 1013 O THR B 2 21.325 1.180 -4.593 1.00 2.84 O ATOM 1014 CB THR B 2 23.508 -0.862 -6.332 1.00 3.22 C ATOM 1015 OG1 THR B 2 22.443 -1.732 -5.955 1.00 3.49 O ATOM 1016 CG2 THR B 2 24.778 -1.716 -6.168 1.00 4.02 C ATOM 0 H THR B 2 22.529 -0.401 -3.555 1.00 2.92 H new ATOM 0 HA THR B 2 24.266 0.972 -5.529 1.00 2.99 H new ATOM 0 HB THR B 2 23.485 -0.461 -7.345 1.00 3.22 H new ATOM 0 HG1 THR B 2 22.742 -2.663 -6.020 1.00 3.49 H new ATOM 0 HG21 THR B 2 24.770 -2.524 -6.900 1.00 4.02 H new ATOM 0 HG22 THR B 2 25.658 -1.093 -6.325 1.00 4.02 H new ATOM 0 HG23 THR B 2 24.806 -2.137 -5.163 1.00 4.02 H new ATOM 1024 N LYS B 3 21.867 1.488 -6.720 1.00 2.63 N ATOM 1025 CA LYS B 3 20.604 2.205 -6.985 1.00 2.60 C ATOM 1026 C LYS B 3 19.421 1.284 -7.138 1.00 2.17 C ATOM 1027 O LYS B 3 18.320 1.777 -7.213 1.00 2.07 O ATOM 1028 CB LYS B 3 20.700 3.020 -8.262 1.00 3.03 C ATOM 1029 CG LYS B 3 21.326 2.154 -9.373 1.00 3.61 C ATOM 1030 CD LYS B 3 20.996 2.751 -10.742 1.00 3.98 C ATOM 1031 CE LYS B 3 19.896 1.889 -11.404 1.00 4.65 C ATOM 1032 NZ LYS B 3 18.778 1.593 -10.459 1.00 4.95 N ATOM 0 H LYS B 3 22.494 1.388 -7.518 1.00 2.63 H new ATOM 0 HA LYS B 3 20.451 2.843 -6.115 1.00 2.60 H new ATOM 0 HB2 LYS B 3 19.710 3.361 -8.565 1.00 3.03 H new ATOM 0 HB3 LYS B 3 21.306 3.910 -8.094 1.00 3.03 H new ATOM 0 HG2 LYS B 3 22.407 2.101 -9.240 1.00 3.61 H new ATOM 0 HG3 LYS B 3 20.946 1.134 -9.309 1.00 3.61 H new ATOM 0 HD2 LYS B 3 20.656 3.781 -10.634 1.00 3.98 H new ATOM 0 HD3 LYS B 3 21.887 2.774 -11.369 1.00 3.98 H new ATOM 0 HE2 LYS B 3 19.504 2.409 -12.279 1.00 4.65 H new ATOM 0 HE3 LYS B 3 20.331 0.954 -11.757 1.00 4.65 H new ATOM 0 HZ1 LYS B 3 17.901 1.438 -10.996 1.00 4.95 H new ATOM 0 HZ2 LYS B 3 19.004 0.738 -9.911 1.00 4.95 H new ATOM 0 HZ3 LYS B 3 18.650 2.396 -9.811 1.00 4.95 H new ATOM 1046 N GLN B 4 19.615 0.000 -7.197 1.00 2.02 N ATOM 1047 CA GLN B 4 18.414 -0.874 -7.353 1.00 1.74 C ATOM 1048 C GLN B 4 17.533 -0.607 -6.161 1.00 1.34 C ATOM 1049 O GLN B 4 16.335 -0.442 -6.263 1.00 1.25 O ATOM 1050 CB GLN B 4 18.825 -2.348 -7.363 1.00 1.87 C ATOM 1051 CG GLN B 4 19.348 -2.741 -8.746 1.00 2.66 C ATOM 1052 CD GLN B 4 20.402 -1.735 -9.188 1.00 3.34 C ATOM 1053 OE1 GLN B 4 20.141 -0.895 -10.028 1.00 3.63 O ATOM 1054 NE2 GLN B 4 21.591 -1.775 -8.652 1.00 4.09 N ATOM 0 H GLN B 4 20.517 -0.474 -7.147 1.00 2.02 H new ATOM 0 HA GLN B 4 17.900 -0.662 -8.291 1.00 1.74 H new ATOM 0 HB2 GLN B 4 19.595 -2.524 -6.612 1.00 1.87 H new ATOM 0 HB3 GLN B 4 17.972 -2.973 -7.098 1.00 1.87 H new ATOM 0 HG2 GLN B 4 19.775 -3.743 -8.715 1.00 2.66 H new ATOM 0 HG3 GLN B 4 18.528 -2.766 -9.464 1.00 2.66 H new ATOM 0 HE21 GLN B 4 21.809 -2.480 -7.948 1.00 4.09 H new ATOM 0 HE22 GLN B 4 22.302 -1.102 -8.937 1.00 4.09 H new ATOM 1063 N GLU B 5 18.207 -0.573 -5.061 1.00 1.21 N ATOM 1064 CA GLU B 5 17.543 -0.323 -3.769 1.00 0.96 C ATOM 1065 C GLU B 5 16.809 1.001 -3.847 1.00 0.95 C ATOM 1066 O GLU B 5 15.655 1.120 -3.486 1.00 0.82 O ATOM 1067 CB GLU B 5 18.642 -0.322 -2.769 1.00 1.13 C ATOM 1068 CG GLU B 5 19.300 -1.690 -2.828 1.00 1.56 C ATOM 1069 CD GLU B 5 20.647 -1.515 -2.189 1.00 1.97 C ATOM 1070 OE1 GLU B 5 20.671 -0.944 -1.115 1.00 2.36 O ATOM 1071 OE2 GLU B 5 21.588 -1.956 -2.822 1.00 2.53 O ATOM 0 H GLU B 5 19.216 -0.711 -5.002 1.00 1.21 H new ATOM 0 HA GLU B 5 16.796 -1.069 -3.499 1.00 0.96 H new ATOM 0 HB2 GLU B 5 19.365 0.463 -2.992 1.00 1.13 H new ATOM 0 HB3 GLU B 5 18.254 -0.124 -1.770 1.00 1.13 H new ATOM 0 HG2 GLU B 5 18.707 -2.434 -2.296 1.00 1.56 H new ATOM 0 HG3 GLU B 5 19.396 -2.035 -3.857 1.00 1.56 H new ATOM 1078 N LYS B 6 17.516 1.975 -4.334 1.00 1.22 N ATOM 1079 CA LYS B 6 16.896 3.314 -4.443 1.00 1.36 C ATOM 1080 C LYS B 6 15.668 3.220 -5.340 1.00 1.20 C ATOM 1081 O LYS B 6 14.686 3.895 -5.115 1.00 1.18 O ATOM 1082 CB LYS B 6 17.907 4.289 -5.041 1.00 1.75 C ATOM 1083 CG LYS B 6 19.170 4.304 -4.151 1.00 2.49 C ATOM 1084 CD LYS B 6 20.229 5.217 -4.792 1.00 2.98 C ATOM 1085 CE LYS B 6 21.468 5.261 -3.881 1.00 3.67 C ATOM 1086 NZ LYS B 6 21.928 3.893 -3.501 1.00 3.78 N ATOM 0 H LYS B 6 18.481 1.904 -4.656 1.00 1.22 H new ATOM 0 HA LYS B 6 16.597 3.670 -3.457 1.00 1.36 H new ATOM 0 HB2 LYS B 6 18.165 3.990 -6.057 1.00 1.75 H new ATOM 0 HB3 LYS B 6 17.477 5.289 -5.103 1.00 1.75 H new ATOM 0 HG2 LYS B 6 18.921 4.661 -3.152 1.00 2.49 H new ATOM 0 HG3 LYS B 6 19.563 3.293 -4.040 1.00 2.49 H new ATOM 0 HD2 LYS B 6 20.500 4.844 -5.779 1.00 2.98 H new ATOM 0 HD3 LYS B 6 19.827 6.221 -4.930 1.00 2.98 H new ATOM 0 HE2 LYS B 6 22.275 5.787 -4.391 1.00 3.67 H new ATOM 0 HE3 LYS B 6 21.236 5.829 -2.980 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 22.967 3.873 -3.468 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 21.547 3.646 -2.565 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 21.591 3.205 -4.205 1.00 3.78 H new ATOM 1100 N THR B 7 15.742 2.386 -6.335 1.00 1.23 N ATOM 1101 CA THR B 7 14.584 2.267 -7.244 1.00 1.25 C ATOM 1102 C THR B 7 13.414 1.732 -6.416 1.00 0.98 C ATOM 1103 O THR B 7 12.306 2.219 -6.515 1.00 0.93 O ATOM 1104 CB THR B 7 14.962 1.300 -8.376 1.00 1.53 C ATOM 1105 OG1 THR B 7 16.261 1.721 -8.775 1.00 1.77 O ATOM 1106 CG2 THR B 7 14.094 1.556 -9.619 1.00 1.82 C ATOM 0 H THR B 7 16.542 1.792 -6.553 1.00 1.23 H new ATOM 0 HA THR B 7 14.302 3.221 -7.690 1.00 1.25 H new ATOM 0 HB THR B 7 14.865 0.267 -8.043 1.00 1.53 H new ATOM 0 HG1 THR B 7 16.935 1.256 -8.237 1.00 1.77 H new ATOM 0 HG21 THR B 7 14.377 0.861 -10.410 1.00 1.82 H new ATOM 0 HG22 THR B 7 13.044 1.410 -9.366 1.00 1.82 H new ATOM 0 HG23 THR B 7 14.245 2.579 -9.964 1.00 1.82 H new ATOM 1114 N ALA B 8 13.694 0.745 -5.612 1.00 0.87 N ATOM 1115 CA ALA B 8 12.602 0.163 -4.790 1.00 0.79 C ATOM 1116 C ALA B 8 12.041 1.239 -3.884 1.00 0.62 C ATOM 1117 O ALA B 8 10.866 1.247 -3.578 1.00 0.70 O ATOM 1118 CB ALA B 8 13.137 -0.978 -3.929 1.00 0.81 C ATOM 0 H ALA B 8 14.615 0.323 -5.490 1.00 0.87 H new ATOM 0 HA ALA B 8 11.826 -0.222 -5.451 1.00 0.79 H new ATOM 0 HB1 ALA B 8 12.326 -1.395 -3.332 1.00 0.81 H new ATOM 0 HB2 ALA B 8 13.551 -1.755 -4.571 1.00 0.81 H new ATOM 0 HB3 ALA B 8 13.917 -0.600 -3.268 1.00 0.81 H new ATOM 1124 N LEU B 9 12.904 2.122 -3.478 1.00 0.59 N ATOM 1125 CA LEU B 9 12.450 3.214 -2.580 1.00 0.73 C ATOM 1126 C LEU B 9 11.356 3.962 -3.332 1.00 0.60 C ATOM 1127 O LEU B 9 10.310 4.290 -2.803 1.00 0.61 O ATOM 1128 CB LEU B 9 13.613 4.164 -2.292 1.00 1.09 C ATOM 1129 CG LEU B 9 13.415 4.844 -0.932 1.00 1.65 C ATOM 1130 CD1 LEU B 9 13.792 3.858 0.183 1.00 1.96 C ATOM 1131 CD2 LEU B 9 14.293 6.097 -0.850 1.00 2.37 C ATOM 0 H LEU B 9 13.893 2.136 -3.725 1.00 0.59 H new ATOM 0 HA LEU B 9 12.086 2.821 -1.631 1.00 0.73 H new ATOM 0 HB2 LEU B 9 14.553 3.612 -2.298 1.00 1.09 H new ATOM 0 HB3 LEU B 9 13.680 4.917 -3.077 1.00 1.09 H new ATOM 0 HG LEU B 9 12.372 5.139 -0.814 1.00 1.65 H new ATOM 0 HD11 LEU B 9 13.653 4.335 1.153 1.00 1.96 H new ATOM 0 HD12 LEU B 9 13.156 2.975 0.119 1.00 1.96 H new ATOM 0 HD13 LEU B 9 14.835 3.562 0.070 1.00 1.96 H new ATOM 0 HD21 LEU B 9 14.150 6.578 0.117 1.00 2.37 H new ATOM 0 HD22 LEU B 9 15.340 5.816 -0.965 1.00 2.37 H new ATOM 0 HD23 LEU B 9 14.014 6.789 -1.644 1.00 2.37 H new ATOM 1143 N ASN B 10 11.638 4.211 -4.577 1.00 0.60 N ATOM 1144 CA ASN B 10 10.641 4.949 -5.394 1.00 0.63 C ATOM 1145 C ASN B 10 9.403 4.114 -5.590 1.00 0.57 C ATOM 1146 O ASN B 10 8.322 4.651 -5.707 1.00 0.57 O ATOM 1147 CB ASN B 10 11.181 5.281 -6.775 1.00 0.76 C ATOM 1148 CG ASN B 10 12.283 6.329 -6.638 1.00 1.34 C ATOM 1149 OD1 ASN B 10 12.022 7.516 -6.658 1.00 1.67 O ATOM 1150 ND2 ASN B 10 13.521 5.946 -6.497 1.00 2.15 N ATOM 0 H ASN B 10 12.497 3.942 -5.057 1.00 0.60 H new ATOM 0 HA ASN B 10 10.415 5.869 -4.854 1.00 0.63 H new ATOM 0 HB2 ASN B 10 11.573 4.383 -7.252 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.381 5.657 -7.412 1.00 0.76 H new ATOM 0 HD21 ASN B 10 14.262 6.640 -6.404 1.00 2.15 H new ATOM 0 HD22 ASN B 10 13.748 4.952 -6.479 1.00 2.15 H new ATOM 1157 N MET B 11 9.565 2.824 -5.630 1.00 0.60 N ATOM 1158 CA MET B 11 8.354 1.986 -5.833 1.00 0.65 C ATOM 1159 C MET B 11 7.428 2.193 -4.653 1.00 0.62 C ATOM 1160 O MET B 11 6.230 2.308 -4.812 1.00 0.68 O ATOM 1161 CB MET B 11 8.728 0.507 -5.914 1.00 0.77 C ATOM 1162 CG MET B 11 9.618 0.264 -7.138 1.00 1.18 C ATOM 1163 SD MET B 11 8.936 0.665 -8.767 1.00 1.98 S ATOM 1164 CE MET B 11 9.679 2.302 -8.984 1.00 2.42 C ATOM 0 H MET B 11 10.450 2.326 -5.535 1.00 0.60 H new ATOM 0 HA MET B 11 7.870 2.275 -6.766 1.00 0.65 H new ATOM 0 HB2 MET B 11 9.251 0.204 -5.007 1.00 0.77 H new ATOM 0 HB3 MET B 11 7.827 -0.103 -5.981 1.00 0.77 H new ATOM 0 HG2 MET B 11 10.534 0.840 -7.007 1.00 1.18 H new ATOM 0 HG3 MET B 11 9.902 -0.788 -7.143 1.00 1.18 H new ATOM 0 HE1 MET B 11 9.695 2.557 -10.044 1.00 2.42 H new ATOM 0 HE2 MET B 11 9.092 3.043 -8.441 1.00 2.42 H new ATOM 0 HE3 MET B 11 10.698 2.293 -8.598 1.00 2.42 H new ATOM 1174 N ALA B 12 8.002 2.239 -3.486 1.00 0.58 N ATOM 1175 CA ALA B 12 7.135 2.434 -2.296 1.00 0.62 C ATOM 1176 C ALA B 12 6.419 3.755 -2.468 1.00 0.56 C ATOM 1177 O ALA B 12 5.229 3.867 -2.251 1.00 0.57 O ATOM 1178 CB ALA B 12 7.970 2.495 -1.020 1.00 0.67 C ATOM 0 H ALA B 12 9.002 2.153 -3.307 1.00 0.58 H new ATOM 0 HA ALA B 12 6.436 1.602 -2.212 1.00 0.62 H new ATOM 0 HB1 ALA B 12 7.313 2.638 -0.162 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.523 1.563 -0.902 1.00 0.67 H new ATOM 0 HB3 ALA B 12 8.671 3.327 -1.083 1.00 0.67 H new ATOM 1184 N ARG B 13 7.178 4.736 -2.859 1.00 0.53 N ATOM 1185 CA ARG B 13 6.569 6.076 -3.044 1.00 0.50 C ATOM 1186 C ARG B 13 5.515 6.009 -4.147 1.00 0.49 C ATOM 1187 O ARG B 13 4.553 6.747 -4.117 1.00 0.51 O ATOM 1188 CB ARG B 13 7.685 7.072 -3.416 1.00 0.51 C ATOM 1189 CG ARG B 13 7.140 8.495 -3.636 1.00 0.61 C ATOM 1190 CD ARG B 13 6.638 9.106 -2.315 1.00 1.07 C ATOM 1191 NE ARG B 13 7.784 9.259 -1.370 1.00 1.86 N ATOM 1192 CZ ARG B 13 7.522 9.313 -0.082 1.00 2.52 C ATOM 1193 NH1 ARG B 13 6.399 9.890 0.294 1.00 3.08 N ATOM 1194 NH2 ARG B 13 8.376 8.792 0.773 1.00 3.15 N ATOM 0 H ARG B 13 8.177 4.670 -3.055 1.00 0.53 H new ATOM 0 HA ARG B 13 6.083 6.405 -2.126 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.434 7.089 -2.624 1.00 0.51 H new ATOM 0 HB3 ARG B 13 8.187 6.732 -4.322 1.00 0.51 H new ATOM 0 HG2 ARG B 13 7.922 9.126 -4.058 1.00 0.61 H new ATOM 0 HG3 ARG B 13 6.326 8.468 -4.360 1.00 0.61 H new ATOM 0 HD2 ARG B 13 6.176 10.075 -2.503 1.00 1.07 H new ATOM 0 HD3 ARG B 13 5.872 8.468 -1.874 1.00 1.07 H new ATOM 0 HE ARG B 13 8.743 9.320 -1.713 1.00 1.86 H new ATOM 0 HH11 ARG B 13 5.765 10.277 -0.405 1.00 3.08 H new ATOM 0 HH12 ARG B 13 6.163 9.950 1.285 1.00 3.08 H new ATOM 0 HH21 ARG B 13 9.232 8.352 0.435 1.00 3.15 H new ATOM 0 HH22 ARG B 13 8.182 8.829 1.774 1.00 3.15 H new ATOM 1208 N PHE B 14 5.702 5.137 -5.092 1.00 0.52 N ATOM 1209 CA PHE B 14 4.701 5.061 -6.189 1.00 0.54 C ATOM 1210 C PHE B 14 3.359 4.670 -5.612 1.00 0.57 C ATOM 1211 O PHE B 14 2.362 5.347 -5.776 1.00 0.59 O ATOM 1212 CB PHE B 14 5.092 4.001 -7.213 1.00 0.62 C ATOM 1213 CG PHE B 14 4.081 4.072 -8.355 1.00 1.17 C ATOM 1214 CD1 PHE B 14 4.283 4.951 -9.401 1.00 1.81 C ATOM 1215 CD2 PHE B 14 2.959 3.264 -8.355 1.00 2.02 C ATOM 1216 CE1 PHE B 14 3.374 5.023 -10.434 1.00 2.50 C ATOM 1217 CE2 PHE B 14 2.052 3.336 -9.389 1.00 2.69 C ATOM 1218 CZ PHE B 14 2.258 4.216 -10.430 1.00 2.71 C ATOM 0 H PHE B 14 6.485 4.487 -5.155 1.00 0.52 H new ATOM 0 HA PHE B 14 4.655 6.037 -6.673 1.00 0.54 H new ATOM 0 HB2 PHE B 14 6.102 4.179 -7.583 1.00 0.62 H new ATOM 0 HB3 PHE B 14 5.089 3.010 -6.759 1.00 0.62 H new ATOM 0 HD1 PHE B 14 5.157 5.585 -9.409 1.00 1.81 H new ATOM 0 HD2 PHE B 14 2.793 2.574 -7.541 1.00 2.02 H new ATOM 0 HE1 PHE B 14 3.537 5.714 -11.248 1.00 2.50 H new ATOM 0 HE2 PHE B 14 1.178 2.702 -9.384 1.00 2.69 H new ATOM 0 HZ PHE B 14 1.546 4.272 -11.240 1.00 2.71 H new ATOM 1228 N ILE B 15 3.403 3.561 -4.938 1.00 0.58 N ATOM 1229 CA ILE B 15 2.175 3.012 -4.321 1.00 0.63 C ATOM 1230 C ILE B 15 1.575 4.087 -3.428 1.00 0.59 C ATOM 1231 O ILE B 15 0.381 4.190 -3.255 1.00 0.62 O ATOM 1232 CB ILE B 15 2.567 1.770 -3.512 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.306 0.796 -4.455 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.288 1.075 -3.009 1.00 0.82 C ATOM 1235 CD1 ILE B 15 3.956 -0.316 -3.644 1.00 0.93 C ATOM 0 H ILE B 15 4.246 3.007 -4.788 1.00 0.58 H new ATOM 0 HA ILE B 15 1.435 2.725 -5.068 1.00 0.63 H new ATOM 0 HB ILE B 15 3.198 2.052 -2.669 1.00 0.69 H new ATOM 0 HG12 ILE B 15 2.606 0.372 -5.175 1.00 0.79 H new ATOM 0 HG13 ILE B 15 4.064 1.333 -5.025 1.00 0.79 H new ATOM 0 HG21 ILE B 15 1.557 0.190 -2.432 1.00 0.82 H new ATOM 0 HG22 ILE B 15 0.725 1.762 -2.377 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.675 0.780 -3.861 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.476 -1.000 -4.315 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.669 0.115 -2.942 1.00 0.93 H new ATOM 0 HD13 ILE B 15 3.189 -0.861 -3.094 1.00 0.93 H new ATOM 1247 N ARG B 16 2.433 4.882 -2.873 1.00 0.58 N ATOM 1248 CA ARG B 16 1.930 5.941 -1.975 1.00 0.58 C ATOM 1249 C ARG B 16 1.103 6.939 -2.761 1.00 0.55 C ATOM 1250 O ARG B 16 0.012 7.293 -2.362 1.00 0.56 O ATOM 1251 CB ARG B 16 3.122 6.603 -1.354 1.00 0.60 C ATOM 1252 CG ARG B 16 2.702 7.442 -0.162 1.00 0.82 C ATOM 1253 CD ARG B 16 3.924 7.631 0.737 1.00 1.04 C ATOM 1254 NE ARG B 16 4.337 6.302 1.266 1.00 1.57 N ATOM 1255 CZ ARG B 16 5.313 5.643 0.686 1.00 2.08 C ATOM 1256 NH1 ARG B 16 6.466 6.252 0.506 1.00 2.60 N ATOM 1257 NH2 ARG B 16 5.086 4.406 0.311 1.00 2.68 N ATOM 0 H ARG B 16 3.445 4.846 -2.999 1.00 0.58 H new ATOM 0 HA ARG B 16 1.287 5.524 -1.200 1.00 0.58 H new ATOM 0 HB2 ARG B 16 3.842 5.848 -1.039 1.00 0.60 H new ATOM 0 HB3 ARG B 16 3.621 7.232 -2.091 1.00 0.60 H new ATOM 0 HG2 ARG B 16 2.319 8.408 -0.492 1.00 0.82 H new ATOM 0 HG3 ARG B 16 1.898 6.950 0.386 1.00 0.82 H new ATOM 0 HD2 ARG B 16 4.740 8.084 0.175 1.00 1.04 H new ATOM 0 HD3 ARG B 16 3.688 8.308 1.558 1.00 1.04 H new ATOM 0 HE ARG B 16 3.863 5.905 2.077 1.00 1.57 H new ATOM 0 HH11 ARG B 16 6.587 7.216 0.815 1.00 2.60 H new ATOM 0 HH12 ARG B 16 7.238 5.759 0.058 1.00 2.60 H new ATOM 0 HH21 ARG B 16 4.172 3.984 0.473 1.00 2.68 H new ATOM 0 HH22 ARG B 16 5.824 3.867 -0.142 1.00 2.68 H new ATOM 1271 N SER B 17 1.649 7.362 -3.859 1.00 0.57 N ATOM 1272 CA SER B 17 0.936 8.354 -4.691 1.00 0.60 C ATOM 1273 C SER B 17 -0.464 7.865 -5.047 1.00 0.56 C ATOM 1274 O SER B 17 -1.430 8.592 -4.918 1.00 0.55 O ATOM 1275 CB SER B 17 1.775 8.568 -5.926 1.00 0.68 C ATOM 1276 OG SER B 17 3.069 8.733 -5.360 1.00 0.72 O ATOM 0 H SER B 17 2.557 7.063 -4.215 1.00 0.57 H new ATOM 0 HA SER B 17 0.803 9.292 -4.151 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.729 7.717 -6.606 1.00 0.68 H new ATOM 0 HB3 SER B 17 1.459 9.445 -6.491 1.00 0.68 H new ATOM 0 HG SER B 17 3.722 8.881 -6.075 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.571 6.646 -5.487 1.00 0.57 N ATOM 1283 CA GLN B 18 -1.942 6.211 -5.832 1.00 0.57 C ATOM 1284 C GLN B 18 -2.778 6.151 -4.570 1.00 0.51 C ATOM 1285 O GLN B 18 -3.898 6.609 -4.586 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.913 4.823 -6.511 1.00 0.65 C ATOM 1287 CG GLN B 18 -1.121 3.818 -5.705 1.00 0.91 C ATOM 1288 CD GLN B 18 -1.125 2.512 -6.490 1.00 1.11 C ATOM 1289 OE1 GLN B 18 -0.264 2.284 -7.316 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -2.068 1.641 -6.266 1.00 1.05 N ATOM 0 H GLN B 18 0.182 5.970 -5.617 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.380 6.926 -6.529 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -2.933 4.461 -6.641 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -1.478 4.915 -7.506 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -0.101 4.169 -5.546 1.00 0.91 H new ATOM 0 HG3 GLN B 18 -1.566 3.677 -4.720 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -2.789 1.837 -5.571 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -2.085 0.763 -6.785 1.00 1.05 H new ATOM 1299 N THR B 19 -2.238 5.610 -3.515 1.00 0.48 N ATOM 1300 CA THR B 19 -3.028 5.523 -2.265 1.00 0.44 C ATOM 1301 C THR B 19 -3.552 6.908 -1.884 1.00 0.43 C ATOM 1302 O THR B 19 -4.632 7.033 -1.347 1.00 0.46 O ATOM 1303 CB THR B 19 -2.107 4.943 -1.186 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.769 3.670 -1.725 1.00 0.56 O ATOM 1305 CG2 THR B 19 -2.871 4.622 0.110 1.00 0.48 C ATOM 0 H THR B 19 -1.293 5.229 -3.467 1.00 0.48 H new ATOM 0 HA THR B 19 -3.899 4.878 -2.385 1.00 0.44 H new ATOM 0 HB THR B 19 -1.292 5.630 -0.958 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.931 3.740 -2.229 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.180 4.213 0.848 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.322 5.534 0.502 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.652 3.891 -0.100 1.00 0.48 H new ATOM 1313 N LEU B 20 -2.777 7.909 -2.181 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.208 9.288 -1.840 1.00 0.51 C ATOM 1315 C LEU B 20 -4.504 9.529 -2.606 1.00 0.53 C ATOM 1316 O LEU B 20 -5.536 9.841 -2.048 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.100 10.261 -2.287 1.00 0.57 C ATOM 1318 CG LEU B 20 -2.220 11.661 -1.636 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -0.995 12.491 -2.056 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -3.485 12.410 -2.102 1.00 1.25 C ATOM 0 H LEU B 20 -1.870 7.833 -2.642 1.00 0.45 H new ATOM 0 HA LEU B 20 -3.374 9.434 -0.773 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.128 9.834 -2.039 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -2.134 10.367 -3.371 1.00 0.57 H new ATOM 0 HG LEU B 20 -2.278 11.529 -0.556 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -1.057 13.483 -1.609 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -0.086 11.996 -1.715 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -0.973 12.583 -3.142 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -3.528 13.387 -1.620 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -3.453 12.540 -3.184 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -4.370 11.833 -1.832 1.00 1.25 H new ATOM 1332 N THR B 21 -4.420 9.367 -3.887 1.00 0.59 N ATOM 1333 CA THR B 21 -5.618 9.602 -4.724 1.00 0.70 C ATOM 1334 C THR B 21 -6.748 8.633 -4.353 1.00 0.63 C ATOM 1335 O THR B 21 -7.921 8.909 -4.522 1.00 0.69 O ATOM 1336 CB THR B 21 -5.164 9.419 -6.149 1.00 0.85 C ATOM 1337 OG1 THR B 21 -3.887 10.051 -6.134 1.00 0.87 O ATOM 1338 CG2 THR B 21 -6.019 10.266 -7.103 1.00 1.02 C ATOM 0 H THR B 21 -3.579 9.084 -4.390 1.00 0.59 H new ATOM 0 HA THR B 21 -6.028 10.601 -4.572 1.00 0.70 H new ATOM 0 HB THR B 21 -5.200 8.376 -6.462 1.00 0.85 H new ATOM 0 HG1 THR B 21 -3.483 9.994 -7.025 1.00 0.87 H new ATOM 0 HG21 THR B 21 -5.675 10.120 -8.127 1.00 1.02 H new ATOM 0 HG22 THR B 21 -7.063 9.961 -7.024 1.00 1.02 H new ATOM 0 HG23 THR B 21 -5.927 11.319 -6.836 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.365 7.504 -3.843 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.393 6.506 -3.492 1.00 0.52 C ATOM 1348 C LEU B 22 -7.970 6.830 -2.139 1.00 0.45 C ATOM 1349 O LEU B 22 -9.044 6.366 -1.821 1.00 0.49 O ATOM 1350 CB LEU B 22 -6.742 5.136 -3.493 1.00 0.59 C ATOM 1351 CG LEU B 22 -6.282 4.825 -4.942 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -5.325 3.627 -4.951 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.504 4.501 -5.815 1.00 1.25 C ATOM 0 H LEU B 22 -5.399 7.234 -3.657 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.208 6.519 -4.216 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -5.892 5.118 -2.811 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -7.446 4.379 -3.146 1.00 0.59 H new ATOM 0 HG LEU B 22 -5.766 5.699 -5.339 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -5.010 3.420 -5.974 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -4.451 3.855 -4.342 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -5.833 2.753 -4.544 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -7.177 4.283 -6.832 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -8.023 3.634 -5.407 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -8.180 5.356 -5.826 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.254 7.612 -1.383 1.00 0.43 N ATOM 1366 CA LEU B 23 -7.759 7.988 -0.039 1.00 0.44 C ATOM 1367 C LEU B 23 -9.116 8.579 -0.312 1.00 0.48 C ATOM 1368 O LEU B 23 -10.107 8.260 0.314 1.00 0.52 O ATOM 1369 CB LEU B 23 -6.817 9.037 0.585 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.234 9.516 2.003 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -8.393 10.540 1.967 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -7.685 8.315 2.826 1.00 1.05 C ATOM 0 H LEU B 23 -6.347 8.004 -1.637 1.00 0.43 H new ATOM 0 HA LEU B 23 -7.810 7.151 0.658 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -5.812 8.618 0.638 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.768 9.902 -0.077 1.00 0.53 H new ATOM 0 HG LEU B 23 -6.365 10.002 2.446 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -8.644 10.841 2.984 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -8.087 11.416 1.394 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -9.265 10.086 1.497 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -7.979 8.646 3.822 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -8.534 7.837 2.337 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -6.865 7.601 2.908 1.00 1.05 H new ATOM 1384 N GLU B 24 -9.096 9.447 -1.277 1.00 0.57 N ATOM 1385 CA GLU B 24 -10.347 10.123 -1.664 1.00 0.71 C ATOM 1386 C GLU B 24 -11.359 9.064 -2.028 1.00 0.67 C ATOM 1387 O GLU B 24 -12.502 9.160 -1.656 1.00 0.69 O ATOM 1388 CB GLU B 24 -10.071 11.022 -2.864 1.00 0.90 C ATOM 1389 CG GLU B 24 -11.297 11.856 -3.210 1.00 1.37 C ATOM 1390 CD GLU B 24 -10.995 12.573 -4.521 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -10.673 11.859 -5.456 1.00 1.83 O ATOM 1392 OE2 GLU B 24 -11.098 13.784 -4.510 1.00 1.84 O ATOM 0 H GLU B 24 -8.269 9.714 -1.810 1.00 0.57 H new ATOM 0 HA GLU B 24 -10.731 10.733 -0.846 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -9.229 11.679 -2.646 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -9.786 10.413 -3.722 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -12.178 11.222 -3.312 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -11.510 12.574 -2.418 1.00 1.37 H new ATOM 1399 N LYS B 25 -10.952 8.065 -2.745 1.00 0.67 N ATOM 1400 CA LYS B 25 -11.956 7.037 -3.114 1.00 0.72 C ATOM 1401 C LYS B 25 -12.513 6.358 -1.873 1.00 0.68 C ATOM 1402 O LYS B 25 -13.649 5.933 -1.877 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.284 6.035 -4.040 1.00 0.81 C ATOM 1404 CG LYS B 25 -10.743 6.819 -5.266 1.00 0.95 C ATOM 1405 CD LYS B 25 -11.885 7.326 -6.171 1.00 1.36 C ATOM 1406 CE LYS B 25 -11.768 8.860 -6.368 1.00 1.57 C ATOM 1407 NZ LYS B 25 -12.233 9.610 -5.172 1.00 1.86 N ATOM 0 H LYS B 25 -10.002 7.914 -3.083 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.800 7.500 -3.626 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.472 5.522 -3.525 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -11.994 5.271 -4.357 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -10.148 7.665 -4.923 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -10.079 6.176 -5.844 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -11.844 6.823 -7.137 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -12.849 7.081 -5.725 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -10.731 9.121 -6.579 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -12.355 9.160 -7.236 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -11.954 10.608 -5.258 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -13.269 9.545 -5.102 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -11.802 9.203 -4.318 1.00 1.86 H new ATOM 1421 N LEU B 26 -11.746 6.251 -0.828 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.357 5.599 0.358 1.00 0.67 C ATOM 1423 C LEU B 26 -13.382 6.567 0.911 1.00 0.65 C ATOM 1424 O LEU B 26 -14.482 6.190 1.254 1.00 0.73 O ATOM 1425 CB LEU B 26 -11.337 5.327 1.477 1.00 0.68 C ATOM 1426 CG LEU B 26 -10.477 4.054 1.247 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -11.365 2.808 1.084 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -9.561 4.196 0.030 1.00 1.22 C ATOM 0 H LEU B 26 -10.780 6.565 -0.741 1.00 0.65 H new ATOM 0 HA LEU B 26 -12.779 4.643 0.046 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -10.676 6.189 1.570 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -11.868 5.229 2.424 1.00 0.68 H new ATOM 0 HG LEU B 26 -9.852 3.934 2.132 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -10.737 1.932 0.924 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -11.963 2.667 1.985 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -12.026 2.942 0.227 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -8.977 3.284 -0.095 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -10.164 4.365 -0.862 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -8.887 5.040 0.178 1.00 1.22 H new ATOM 1440 N ASN B 27 -12.998 7.809 0.980 1.00 0.60 N ATOM 1441 CA ASN B 27 -13.954 8.800 1.539 1.00 0.66 C ATOM 1442 C ASN B 27 -15.029 9.116 0.510 1.00 0.68 C ATOM 1443 O ASN B 27 -16.025 9.734 0.824 1.00 0.79 O ATOM 1444 CB ASN B 27 -13.182 10.092 1.938 1.00 0.76 C ATOM 1445 CG ASN B 27 -12.816 11.036 0.787 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -13.508 11.192 -0.198 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -11.700 11.708 0.891 1.00 1.70 N ATOM 0 H ASN B 27 -12.092 8.173 0.684 1.00 0.60 H new ATOM 0 HA ASN B 27 -14.435 8.387 2.426 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -13.786 10.645 2.658 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -12.264 9.800 2.449 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -11.422 12.352 0.151 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -11.107 11.588 1.712 1.00 1.70 H new ATOM 1454 N GLU B 28 -14.802 8.677 -0.695 1.00 0.70 N ATOM 1455 CA GLU B 28 -15.780 8.936 -1.780 1.00 0.83 C ATOM 1456 C GLU B 28 -16.938 8.034 -1.439 1.00 0.86 C ATOM 1457 O GLU B 28 -18.087 8.423 -1.453 1.00 0.97 O ATOM 1458 CB GLU B 28 -15.161 8.542 -3.130 1.00 1.00 C ATOM 1459 CG GLU B 28 -16.078 8.845 -4.300 1.00 1.12 C ATOM 1460 CD GLU B 28 -15.353 8.347 -5.544 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -15.452 7.161 -5.804 1.00 2.61 O ATOM 1462 OE2 GLU B 28 -14.728 9.185 -6.166 1.00 2.24 O ATOM 0 H GLU B 28 -13.976 8.147 -0.974 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.078 9.981 -1.860 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -14.219 9.074 -3.263 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -14.927 7.477 -3.122 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -17.039 8.344 -4.182 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -16.282 9.914 -4.369 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.577 6.822 -1.131 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.608 5.822 -0.768 1.00 0.98 C ATOM 1471 C LEU B 29 -17.806 5.907 0.731 1.00 1.03 C ATOM 1472 O LEU B 29 -17.949 4.888 1.379 1.00 1.19 O ATOM 1473 CB LEU B 29 -17.115 4.434 -1.162 1.00 1.02 C ATOM 1474 CG LEU B 29 -16.627 4.476 -2.634 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -16.168 3.075 -3.059 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -17.756 4.951 -3.568 1.00 1.43 C ATOM 0 H LEU B 29 -15.615 6.484 -1.116 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.549 6.012 -1.283 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -16.304 4.121 -0.504 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -17.916 3.703 -1.051 1.00 1.02 H new ATOM 0 HG LEU B 29 -15.796 5.178 -2.707 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -15.825 3.103 -4.093 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -15.352 2.748 -2.414 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -17.001 2.377 -2.972 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -17.393 4.973 -4.596 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -18.600 4.265 -3.496 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -18.075 5.951 -3.274 1.00 1.43 H new ATOM 1488 N ASP B 30 -17.793 7.136 1.191 1.00 0.98 N ATOM 1489 CA ASP B 30 -17.960 7.553 2.620 1.00 1.11 C ATOM 1490 C ASP B 30 -17.374 6.593 3.627 1.00 1.16 C ATOM 1491 O ASP B 30 -17.744 6.609 4.781 1.00 1.63 O ATOM 1492 CB ASP B 30 -19.455 7.741 2.973 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.189 6.408 3.100 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -20.419 5.789 2.079 1.00 2.45 O ATOM 1495 OD2 ASP B 30 -20.490 6.064 4.228 1.00 2.23 O ATOM 0 H ASP B 30 -17.661 7.935 0.571 1.00 0.98 H new ATOM 0 HA ASP B 30 -17.408 8.491 2.690 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -19.539 8.291 3.910 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -19.935 8.346 2.204 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.461 5.784 3.183 1.00 0.84 N ATOM 1501 CA ALA B 31 -15.831 4.808 4.105 1.00 0.87 C ATOM 1502 C ALA B 31 -14.627 5.547 4.622 1.00 0.76 C ATOM 1503 O ALA B 31 -13.500 5.159 4.382 1.00 0.75 O ATOM 1504 CB ALA B 31 -15.385 3.563 3.349 1.00 0.89 C ATOM 0 H ALA B 31 -16.123 5.756 2.221 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.508 4.471 4.890 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -14.926 2.860 4.044 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -16.249 3.095 2.878 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.661 3.842 2.584 1.00 0.89 H new ATOM 1510 N ASP B 32 -14.915 6.605 5.320 1.00 0.85 N ATOM 1511 CA ASP B 32 -13.816 7.435 5.858 1.00 0.87 C ATOM 1512 C ASP B 32 -13.049 6.631 6.872 1.00 0.79 C ATOM 1513 O ASP B 32 -11.878 6.846 7.096 1.00 0.74 O ATOM 1514 CB ASP B 32 -14.352 8.666 6.547 1.00 1.11 C ATOM 1515 CG ASP B 32 -13.139 9.508 6.925 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -12.486 9.933 5.984 1.00 2.57 O ATOM 1517 OD2 ASP B 32 -12.941 9.673 8.114 1.00 2.83 O ATOM 0 H ASP B 32 -15.858 6.927 5.539 1.00 0.85 H new ATOM 0 HA ASP B 32 -13.179 7.738 5.028 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -15.020 9.221 5.888 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -14.929 8.396 7.432 1.00 1.11 H new ATOM 1522 N GLU B 33 -13.721 5.701 7.480 1.00 0.86 N ATOM 1523 CA GLU B 33 -12.985 4.896 8.477 1.00 0.90 C ATOM 1524 C GLU B 33 -11.919 4.166 7.674 1.00 0.78 C ATOM 1525 O GLU B 33 -10.757 4.184 8.018 1.00 0.79 O ATOM 1526 CB GLU B 33 -13.889 3.855 9.155 1.00 1.07 C ATOM 1527 CG GLU B 33 -15.356 4.303 9.194 1.00 1.58 C ATOM 1528 CD GLU B 33 -16.057 3.939 7.881 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -15.362 3.581 6.946 1.00 2.11 O ATOM 1530 OE2 GLU B 33 -17.268 4.042 7.887 1.00 2.15 O ATOM 0 H GLU B 33 -14.705 5.471 7.338 1.00 0.86 H new ATOM 0 HA GLU B 33 -12.585 5.532 9.267 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -13.814 2.908 8.621 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -13.537 3.677 10.171 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -15.867 3.827 10.031 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -15.411 5.379 9.357 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.320 3.530 6.608 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.271 2.828 5.826 1.00 0.67 C ATOM 1539 C GLN B 34 -10.375 3.856 5.165 1.00 0.57 C ATOM 1540 O GLN B 34 -9.309 3.516 4.697 1.00 0.53 O ATOM 1541 CB GLN B 34 -11.855 1.949 4.709 1.00 0.72 C ATOM 1542 CG GLN B 34 -12.395 0.631 5.270 1.00 0.88 C ATOM 1543 CD GLN B 34 -13.784 0.855 5.844 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -14.774 0.671 5.167 1.00 2.26 O ATOM 1545 NE2 GLN B 34 -13.901 1.248 7.079 1.00 1.80 N ATOM 0 H GLN B 34 -13.277 3.467 6.260 1.00 0.71 H new ATOM 0 HA GLN B 34 -10.727 2.192 6.525 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.655 2.486 4.200 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.086 1.743 3.965 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -12.432 -0.123 4.484 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -11.727 0.252 6.044 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -13.067 1.402 7.646 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -14.826 1.402 7.480 1.00 1.80 H new ATOM 1554 N ALA B 35 -10.808 5.084 5.126 1.00 0.58 N ATOM 1555 CA ALA B 35 -9.931 6.100 4.493 1.00 0.56 C ATOM 1556 C ALA B 35 -8.754 6.247 5.430 1.00 0.56 C ATOM 1557 O ALA B 35 -7.624 6.260 4.998 1.00 0.54 O ATOM 1558 CB ALA B 35 -10.649 7.447 4.364 1.00 0.65 C ATOM 0 H ALA B 35 -11.699 5.419 5.491 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.638 5.795 3.488 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -9.982 8.172 3.897 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.541 7.326 3.750 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -10.935 7.803 5.354 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.033 6.356 6.697 1.00 0.62 N ATOM 1565 CA ASP B 36 -7.896 6.491 7.651 1.00 0.67 C ATOM 1566 C ASP B 36 -6.996 5.290 7.505 1.00 0.60 C ATOM 1567 O ASP B 36 -5.792 5.399 7.404 1.00 0.62 O ATOM 1568 CB ASP B 36 -8.364 6.510 9.080 1.00 0.79 C ATOM 1569 CG ASP B 36 -7.101 6.365 9.924 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -6.286 7.268 9.835 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -7.030 5.356 10.603 1.00 1.67 O ATOM 0 H ASP B 36 -9.967 6.358 7.106 1.00 0.62 H new ATOM 0 HA ASP B 36 -7.385 7.427 7.423 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -8.885 7.439 9.310 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -9.062 5.696 9.275 1.00 0.79 H new ATOM 1576 N ILE B 37 -7.630 4.154 7.494 1.00 0.55 N ATOM 1577 CA ILE B 37 -6.856 2.899 7.352 1.00 0.52 C ATOM 1578 C ILE B 37 -6.047 2.991 6.059 1.00 0.47 C ATOM 1579 O ILE B 37 -4.947 2.482 5.965 1.00 0.50 O ATOM 1580 CB ILE B 37 -7.842 1.714 7.308 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -8.625 1.730 8.643 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.073 0.386 7.190 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -9.601 0.548 8.721 1.00 1.12 C ATOM 0 H ILE B 37 -8.641 4.042 7.576 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.175 2.749 8.190 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.509 1.803 6.450 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -7.927 1.686 9.479 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.174 2.667 8.736 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -7.780 -0.443 7.160 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.479 0.389 6.276 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.414 0.269 8.050 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -10.139 0.582 9.668 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -10.313 0.609 7.898 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -9.046 -0.387 8.652 1.00 1.12 H new ATOM 1595 N CYS B 38 -6.604 3.645 5.081 1.00 0.45 N ATOM 1596 CA CYS B 38 -5.860 3.747 3.803 1.00 0.47 C ATOM 1597 C CYS B 38 -4.643 4.597 4.091 1.00 0.50 C ATOM 1598 O CYS B 38 -3.577 4.324 3.583 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.708 4.431 2.727 1.00 0.48 C ATOM 1600 SG CYS B 38 -6.028 4.500 1.051 1.00 0.70 S ATOM 0 H CYS B 38 -7.516 4.101 5.109 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.596 2.756 3.434 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.669 3.919 2.680 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -6.906 5.452 3.053 1.00 0.48 H new ATOM 0 HG CYS B 38 -6.102 5.718 0.602 1.00 0.70 H new ATOM 1606 N GLU B 39 -4.806 5.605 4.896 1.00 0.54 N ATOM 1607 CA GLU B 39 -3.620 6.436 5.185 1.00 0.62 C ATOM 1608 C GLU B 39 -2.709 5.692 6.124 1.00 0.58 C ATOM 1609 O GLU B 39 -1.542 6.010 6.228 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.049 7.757 5.818 1.00 0.75 C ATOM 1611 CG GLU B 39 -4.932 8.484 4.810 1.00 1.35 C ATOM 1612 CD GLU B 39 -4.130 8.655 3.514 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -3.325 9.569 3.498 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -4.356 7.863 2.613 1.00 2.82 O ATOM 0 H GLU B 39 -5.677 5.880 5.350 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.092 6.647 4.255 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -4.593 7.579 6.746 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -3.178 8.362 6.071 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -5.843 7.916 4.622 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -5.237 9.455 5.201 1.00 1.35 H new ATOM 1621 N SER B 40 -3.225 4.715 6.805 1.00 0.63 N ATOM 1622 CA SER B 40 -2.297 3.990 7.690 1.00 0.64 C ATOM 1623 C SER B 40 -1.397 3.281 6.686 1.00 0.58 C ATOM 1624 O SER B 40 -0.207 3.148 6.868 1.00 0.63 O ATOM 1625 CB SER B 40 -3.066 2.988 8.524 1.00 0.72 C ATOM 1626 OG SER B 40 -4.161 3.718 9.059 1.00 0.77 O ATOM 0 H SER B 40 -4.196 4.402 6.790 1.00 0.63 H new ATOM 0 HA SER B 40 -1.754 4.621 8.394 1.00 0.64 H new ATOM 0 HB2 SER B 40 -3.409 2.150 7.917 1.00 0.72 H new ATOM 0 HB3 SER B 40 -2.443 2.573 9.317 1.00 0.72 H new ATOM 0 HG SER B 40 -4.616 3.175 9.736 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.011 2.844 5.625 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.228 2.136 4.587 1.00 0.53 C ATOM 1634 C LEU B 41 -0.291 3.161 3.975 1.00 0.50 C ATOM 1635 O LEU B 41 0.851 2.870 3.698 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.205 1.575 3.531 1.00 0.56 C ATOM 1637 CG LEU B 41 -1.568 0.503 2.609 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -2.716 -0.287 1.958 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -0.774 1.161 1.458 1.00 1.22 C ATOM 0 H LEU B 41 -3.008 2.946 5.435 1.00 0.54 H new ATOM 0 HA LEU B 41 -0.655 1.303 4.994 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.067 1.141 4.038 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -2.576 2.396 2.918 1.00 0.56 H new ATOM 0 HG LEU B 41 -0.901 -0.122 3.203 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -2.304 -1.052 1.300 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -3.317 -0.761 2.734 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -3.341 0.391 1.378 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -0.338 0.386 0.827 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -1.444 1.780 0.861 1.00 1.22 H new ATOM 0 HD23 LEU B 41 0.021 1.781 1.872 1.00 1.22 H new ATOM 1651 N HIS B 42 -0.800 4.341 3.784 1.00 0.50 N ATOM 1652 CA HIS B 42 0.018 5.420 3.169 1.00 0.53 C ATOM 1653 C HIS B 42 1.322 5.590 3.939 1.00 0.55 C ATOM 1654 O HIS B 42 2.399 5.431 3.397 1.00 0.63 O ATOM 1655 CB HIS B 42 -0.796 6.721 3.195 1.00 0.54 C ATOM 1656 CG HIS B 42 -0.127 7.849 2.414 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.696 8.494 1.448 1.00 0.61 N ATOM 1658 CD2 HIS B 42 1.128 8.426 2.522 1.00 1.21 C ATOM 1659 CE1 HIS B 42 0.116 9.389 0.986 1.00 0.64 C ATOM 1660 NE2 HIS B 42 1.260 9.384 1.623 1.00 1.13 N ATOM 0 H HIS B 42 -1.754 4.608 4.029 1.00 0.50 H new ATOM 0 HA HIS B 42 0.265 5.163 2.139 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -1.786 6.534 2.779 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -0.939 7.035 4.229 1.00 0.54 H new ATOM 0 HD2 HIS B 42 1.885 8.136 3.235 1.00 1.21 H new ATOM 0 HE1 HIS B 42 -0.121 10.059 0.173 1.00 0.64 H new ATOM 0 HE2 HIS B 42 2.069 9.984 1.461 1.00 1.13 H new ATOM 1668 N ASP B 43 1.180 5.906 5.195 1.00 0.56 N ATOM 1669 CA ASP B 43 2.387 6.121 6.041 1.00 0.64 C ATOM 1670 C ASP B 43 3.216 4.878 6.250 1.00 0.60 C ATOM 1671 O ASP B 43 4.424 4.911 6.154 1.00 0.62 O ATOM 1672 CB ASP B 43 2.013 6.607 7.422 1.00 0.80 C ATOM 1673 CG ASP B 43 3.315 6.634 8.214 1.00 1.22 C ATOM 1674 OD1 ASP B 43 4.074 7.553 7.964 1.00 1.51 O ATOM 1675 OD2 ASP B 43 3.492 5.738 9.022 1.00 1.86 O ATOM 0 H ASP B 43 0.286 6.024 5.671 1.00 0.56 H new ATOM 0 HA ASP B 43 2.967 6.859 5.488 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.560 7.597 7.379 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.285 5.943 7.887 1.00 0.80 H new ATOM 1680 N HIS B 44 2.568 3.791 6.536 1.00 0.60 N ATOM 1681 CA HIS B 44 3.364 2.562 6.774 1.00 0.63 C ATOM 1682 C HIS B 44 4.022 2.145 5.476 1.00 0.60 C ATOM 1683 O HIS B 44 5.023 1.461 5.464 1.00 0.68 O ATOM 1684 CB HIS B 44 2.447 1.463 7.275 1.00 0.65 C ATOM 1685 CG HIS B 44 1.749 1.982 8.538 1.00 1.02 C ATOM 1686 ND1 HIS B 44 1.992 3.113 9.124 1.00 1.67 N ATOM 1687 CD2 HIS B 44 0.750 1.408 9.306 1.00 1.54 C ATOM 1688 CE1 HIS B 44 1.223 3.239 10.155 1.00 2.24 C ATOM 1689 NE2 HIS B 44 0.434 2.203 10.309 1.00 2.16 N ATOM 0 H HIS B 44 1.555 3.698 6.614 1.00 0.60 H new ATOM 0 HA HIS B 44 4.134 2.749 7.523 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.714 1.199 6.513 1.00 0.65 H new ATOM 0 HB3 HIS B 44 3.016 0.560 7.496 1.00 0.65 H new ATOM 0 HD2 HIS B 44 0.295 0.448 9.111 1.00 1.54 H new ATOM 0 HE1 HIS B 44 1.229 4.096 10.812 1.00 2.24 H new ATOM 0 HE2 HIS B 44 -0.263 2.048 11.037 1.00 2.16 H new ATOM 1697 N ALA B 45 3.453 2.562 4.386 1.00 0.57 N ATOM 1698 CA ALA B 45 4.089 2.186 3.100 1.00 0.62 C ATOM 1699 C ALA B 45 5.244 3.142 2.983 1.00 0.59 C ATOM 1700 O ALA B 45 6.217 2.887 2.306 1.00 0.61 O ATOM 1701 CB ALA B 45 3.144 2.401 1.923 1.00 0.70 C ATOM 0 H ALA B 45 2.606 3.127 4.327 1.00 0.57 H new ATOM 0 HA ALA B 45 4.375 1.134 3.082 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.644 2.115 0.998 1.00 0.70 H new ATOM 0 HB2 ALA B 45 2.251 1.790 2.057 1.00 0.70 H new ATOM 0 HB3 ALA B 45 2.860 3.452 1.872 1.00 0.70 H new ATOM 1707 N ASP B 46 5.106 4.250 3.652 1.00 0.60 N ATOM 1708 CA ASP B 46 6.210 5.231 3.591 1.00 0.65 C ATOM 1709 C ASP B 46 7.250 4.737 4.560 1.00 0.65 C ATOM 1710 O ASP B 46 8.388 5.139 4.481 1.00 0.65 O ATOM 1711 CB ASP B 46 5.704 6.615 3.993 1.00 0.76 C ATOM 1712 CG ASP B 46 6.691 7.658 3.483 1.00 0.88 C ATOM 1713 OD1 ASP B 46 7.745 7.818 4.067 1.00 1.04 O ATOM 1714 OD2 ASP B 46 6.326 8.263 2.492 1.00 1.45 O ATOM 0 H ASP B 46 4.301 4.511 4.221 1.00 0.60 H new ATOM 0 HA ASP B 46 6.620 5.322 2.585 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.714 6.793 3.573 1.00 0.76 H new ATOM 0 HB3 ASP B 46 5.607 6.683 5.077 1.00 0.76 H new ATOM 1719 N GLU B 47 6.883 3.878 5.470 1.00 0.71 N ATOM 1720 CA GLU B 47 7.961 3.379 6.356 1.00 0.81 C ATOM 1721 C GLU B 47 8.872 2.596 5.438 1.00 0.75 C ATOM 1722 O GLU B 47 10.056 2.463 5.681 1.00 0.81 O ATOM 1723 CB GLU B 47 7.430 2.428 7.439 1.00 0.97 C ATOM 1724 CG GLU B 47 6.789 3.215 8.577 1.00 1.17 C ATOM 1725 CD GLU B 47 7.899 3.821 9.445 1.00 1.52 C ATOM 1726 OE1 GLU B 47 9.034 3.817 8.998 1.00 2.02 O ATOM 1727 OE2 GLU B 47 7.552 4.265 10.522 1.00 1.97 O ATOM 0 H GLU B 47 5.942 3.519 5.632 1.00 0.71 H new ATOM 0 HA GLU B 47 8.447 4.206 6.873 1.00 0.81 H new ATOM 0 HB2 GLU B 47 6.699 1.746 7.005 1.00 0.97 H new ATOM 0 HB3 GLU B 47 8.246 1.817 7.826 1.00 0.97 H new ATOM 0 HG2 GLU B 47 6.150 4.002 8.178 1.00 1.17 H new ATOM 0 HG3 GLU B 47 6.155 2.562 9.177 1.00 1.17 H new ATOM 1734 N LEU B 48 8.293 2.099 4.379 1.00 0.72 N ATOM 1735 CA LEU B 48 9.105 1.332 3.403 1.00 0.77 C ATOM 1736 C LEU B 48 9.746 2.363 2.484 1.00 0.68 C ATOM 1737 O LEU B 48 9.862 2.168 1.291 1.00 0.93 O ATOM 1738 CB LEU B 48 8.222 0.407 2.563 1.00 0.85 C ATOM 1739 CG LEU B 48 7.385 -0.508 3.479 1.00 0.87 C ATOM 1740 CD1 LEU B 48 6.460 -1.373 2.614 1.00 1.52 C ATOM 1741 CD2 LEU B 48 8.310 -1.439 4.280 1.00 1.40 C ATOM 0 H LEU B 48 7.303 2.191 4.152 1.00 0.72 H new ATOM 0 HA LEU B 48 9.840 0.716 3.920 1.00 0.77 H new ATOM 0 HB2 LEU B 48 7.563 0.999 1.928 1.00 0.85 H new ATOM 0 HB3 LEU B 48 8.842 -0.198 1.902 1.00 0.85 H new ATOM 0 HG LEU B 48 6.804 0.110 4.163 1.00 0.87 H new ATOM 0 HD11 LEU B 48 5.865 -2.023 3.255 1.00 1.52 H new ATOM 0 HD12 LEU B 48 5.798 -0.730 2.034 1.00 1.52 H new ATOM 0 HD13 LEU B 48 7.059 -1.982 1.937 1.00 1.52 H new ATOM 0 HD21 LEU B 48 7.710 -2.082 4.924 1.00 1.40 H new ATOM 0 HD22 LEU B 48 8.890 -2.054 3.593 1.00 1.40 H new ATOM 0 HD23 LEU B 48 8.986 -0.842 4.892 1.00 1.40 H new ATOM 1753 N TYR B 49 10.142 3.451 3.068 1.00 0.59 N ATOM 1754 CA TYR B 49 10.793 4.537 2.311 1.00 0.54 C ATOM 1755 C TYR B 49 11.724 5.103 3.362 1.00 0.59 C ATOM 1756 O TYR B 49 12.873 5.388 3.103 1.00 0.82 O ATOM 1757 CB TYR B 49 9.763 5.577 1.893 1.00 0.61 C ATOM 1758 CG TYR B 49 10.394 6.528 0.886 1.00 0.64 C ATOM 1759 CD1 TYR B 49 11.195 7.565 1.314 1.00 1.29 C ATOM 1760 CD2 TYR B 49 10.164 6.368 -0.465 1.00 1.33 C ATOM 1761 CE1 TYR B 49 11.759 8.429 0.407 1.00 1.32 C ATOM 1762 CE2 TYR B 49 10.728 7.234 -1.373 1.00 1.40 C ATOM 1763 CZ TYR B 49 11.529 8.270 -0.943 1.00 0.85 C ATOM 1764 OH TYR B 49 12.084 9.137 -1.859 1.00 0.99 O ATOM 0 H TYR B 49 10.037 3.634 4.066 1.00 0.59 H new ATOM 0 HA TYR B 49 11.288 4.221 1.393 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.893 5.089 1.455 1.00 0.61 H new ATOM 0 HB3 TYR B 49 9.413 6.130 2.764 1.00 0.61 H new ATOM 0 HD1 TYR B 49 11.380 7.699 2.369 1.00 1.29 H new ATOM 0 HD2 TYR B 49 9.538 5.559 -0.811 1.00 1.33 H new ATOM 0 HE1 TYR B 49 12.386 9.237 0.753 1.00 1.32 H new ATOM 0 HE2 TYR B 49 10.542 7.101 -2.429 1.00 1.40 H new ATOM 0 HH TYR B 49 11.816 8.873 -2.764 1.00 0.99 H new ATOM 1774 N ARG B 50 11.197 5.252 4.541 1.00 0.71 N ATOM 1775 CA ARG B 50 12.033 5.784 5.642 1.00 0.95 C ATOM 1776 C ARG B 50 12.954 4.654 6.045 1.00 1.15 C ATOM 1777 O ARG B 50 14.145 4.693 5.811 1.00 1.19 O ATOM 1778 CB ARG B 50 11.159 6.181 6.838 1.00 1.20 C ATOM 1779 CG ARG B 50 10.227 7.320 6.423 1.00 1.44 C ATOM 1780 CD ARG B 50 9.369 7.735 7.637 1.00 1.54 C ATOM 1781 NE ARG B 50 8.527 6.586 8.075 1.00 1.70 N ATOM 1782 CZ ARG B 50 7.223 6.721 7.999 1.00 1.79 C ATOM 1783 NH1 ARG B 50 6.727 7.209 6.887 1.00 2.21 N ATOM 1784 NH2 ARG B 50 6.471 6.373 9.020 1.00 2.29 N ATOM 0 H ARG B 50 10.232 5.030 4.787 1.00 0.71 H new ATOM 0 HA ARG B 50 12.583 6.670 5.325 1.00 0.95 H new ATOM 0 HB2 ARG B 50 10.577 5.325 7.179 1.00 1.20 H new ATOM 0 HB3 ARG B 50 11.785 6.494 7.674 1.00 1.20 H new ATOM 0 HG2 ARG B 50 10.808 8.170 6.064 1.00 1.44 H new ATOM 0 HG3 ARG B 50 9.586 7.002 5.601 1.00 1.44 H new ATOM 0 HD2 ARG B 50 10.012 8.059 8.455 1.00 1.54 H new ATOM 0 HD3 ARG B 50 8.736 8.583 7.374 1.00 1.54 H new ATOM 0 HE ARG B 50 8.949 5.725 8.422 1.00 1.70 H new ATOM 0 HH11 ARG B 50 7.349 7.468 6.121 1.00 2.21 H new ATOM 0 HH12 ARG B 50 5.719 7.330 6.788 1.00 2.21 H new ATOM 0 HH21 ARG B 50 6.901 6.000 9.866 1.00 2.29 H new ATOM 0 HH22 ARG B 50 5.458 6.476 8.966 1.00 2.29 H new ATOM 1798 N SER B 51 12.362 3.667 6.646 1.00 1.40 N ATOM 1799 CA SER B 51 13.165 2.516 7.087 1.00 1.77 C ATOM 1800 C SER B 51 13.883 1.941 5.872 1.00 1.70 C ATOM 1801 O SER B 51 15.024 1.538 5.964 1.00 1.91 O ATOM 1802 CB SER B 51 12.192 1.539 7.721 1.00 2.04 C ATOM 1803 OG SER B 51 11.514 2.402 8.624 1.00 2.11 O ATOM 0 H SER B 51 11.364 3.613 6.847 1.00 1.40 H new ATOM 0 HA SER B 51 13.934 2.772 7.816 1.00 1.77 H new ATOM 0 HB2 SER B 51 11.519 1.091 6.990 1.00 2.04 H new ATOM 0 HB3 SER B 51 12.699 0.720 8.231 1.00 2.04 H new ATOM 0 HG SER B 51 10.594 2.541 8.315 1.00 2.11 H new ATOM 1809 N CYS B 52 13.227 1.906 4.749 1.00 1.50 N ATOM 1810 CA CYS B 52 13.953 1.343 3.583 1.00 1.60 C ATOM 1811 C CYS B 52 15.152 2.207 3.254 1.00 1.30 C ATOM 1812 O CYS B 52 16.168 1.682 2.862 1.00 1.42 O ATOM 1813 CB CYS B 52 13.052 1.281 2.355 1.00 1.71 C ATOM 1814 SG CYS B 52 11.752 0.023 2.330 1.00 2.41 S ATOM 0 H CYS B 52 12.271 2.224 4.590 1.00 1.50 H new ATOM 0 HA CYS B 52 14.273 0.335 3.846 1.00 1.60 H new ATOM 0 HB2 CYS B 52 12.578 2.256 2.237 1.00 1.71 H new ATOM 0 HB3 CYS B 52 13.685 1.126 1.481 1.00 1.71 H new ATOM 0 HG CYS B 52 11.439 -0.302 3.549 1.00 2.41 H new ATOM 1820 N LEU B 53 15.038 3.494 3.412 1.00 1.00 N ATOM 1821 CA LEU B 53 16.213 4.349 3.087 1.00 0.95 C ATOM 1822 C LEU B 53 17.264 4.122 4.151 1.00 1.09 C ATOM 1823 O LEU B 53 18.432 4.353 3.924 1.00 1.19 O ATOM 1824 CB LEU B 53 15.796 5.830 3.075 1.00 0.98 C ATOM 1825 CG LEU B 53 16.982 6.761 2.729 1.00 1.21 C ATOM 1826 CD1 LEU B 53 17.491 6.479 1.304 1.00 1.56 C ATOM 1827 CD2 LEU B 53 16.501 8.219 2.806 1.00 1.58 C ATOM 0 H LEU B 53 14.206 3.982 3.743 1.00 1.00 H new ATOM 0 HA LEU B 53 16.606 4.092 2.103 1.00 0.95 H new ATOM 0 HB2 LEU B 53 14.996 5.976 2.349 1.00 0.98 H new ATOM 0 HB3 LEU B 53 15.394 6.102 4.051 1.00 0.98 H new ATOM 0 HG LEU B 53 17.793 6.584 3.435 1.00 1.21 H new ATOM 0 HD11 LEU B 53 18.325 7.143 1.078 1.00 1.56 H new ATOM 0 HD12 LEU B 53 17.823 5.443 1.234 1.00 1.56 H new ATOM 0 HD13 LEU B 53 16.686 6.651 0.589 1.00 1.56 H new ATOM 0 HD21 LEU B 53 17.327 8.888 2.564 1.00 1.58 H new ATOM 0 HD22 LEU B 53 15.690 8.373 2.094 1.00 1.58 H new ATOM 0 HD23 LEU B 53 16.145 8.432 3.814 1.00 1.58 H new ATOM 1839 N ALA B 54 16.846 3.678 5.300 1.00 1.32 N ATOM 1840 CA ALA B 54 17.870 3.452 6.352 1.00 1.66 C ATOM 1841 C ALA B 54 18.884 2.451 5.831 1.00 1.77 C ATOM 1842 O ALA B 54 20.046 2.526 6.168 1.00 2.00 O ATOM 1843 CB ALA B 54 17.245 2.874 7.620 1.00 1.85 C ATOM 0 H ALA B 54 15.880 3.469 5.551 1.00 1.32 H new ATOM 0 HA ALA B 54 18.334 4.409 6.591 1.00 1.66 H new ATOM 0 HB1 ALA B 54 18.020 2.720 8.370 1.00 1.85 H new ATOM 0 HB2 ALA B 54 16.499 3.568 8.007 1.00 1.85 H new ATOM 0 HB3 ALA B 54 16.769 1.921 7.389 1.00 1.85 H new ATOM 1849 N ARG B 55 18.428 1.539 5.018 1.00 1.75 N ATOM 1850 CA ARG B 55 19.381 0.527 4.486 1.00 1.93 C ATOM 1851 C ARG B 55 19.765 0.910 3.057 1.00 1.58 C ATOM 1852 O ARG B 55 20.851 0.616 2.602 1.00 1.71 O ATOM 1853 CB ARG B 55 18.717 -0.863 4.483 1.00 2.36 C ATOM 1854 CG ARG B 55 19.822 -1.919 4.344 1.00 2.73 C ATOM 1855 CD ARG B 55 19.212 -3.312 4.135 1.00 3.04 C ATOM 1856 NE ARG B 55 18.313 -3.679 5.272 1.00 2.92 N ATOM 1857 CZ ARG B 55 18.312 -4.923 5.712 1.00 3.13 C ATOM 1858 NH1 ARG B 55 18.813 -5.867 4.944 1.00 3.65 N ATOM 1859 NH2 ARG B 55 17.809 -5.177 6.900 1.00 3.41 N ATOM 0 H ARG B 55 17.461 1.451 4.705 1.00 1.75 H new ATOM 0 HA ARG B 55 20.271 0.496 5.115 1.00 1.93 H new ATOM 0 HB2 ARG B 55 18.156 -1.019 5.404 1.00 2.36 H new ATOM 0 HB3 ARG B 55 18.007 -0.944 3.660 1.00 2.36 H new ATOM 0 HG2 ARG B 55 20.468 -1.669 3.503 1.00 2.73 H new ATOM 0 HG3 ARG B 55 20.447 -1.920 5.237 1.00 2.73 H new ATOM 0 HD2 ARG B 55 18.650 -3.330 3.201 1.00 3.04 H new ATOM 0 HD3 ARG B 55 20.008 -4.051 4.042 1.00 3.04 H new ATOM 0 HE ARG B 55 17.709 -2.978 5.701 1.00 2.92 H new ATOM 0 HH11 ARG B 55 19.193 -5.631 4.027 1.00 3.65 H new ATOM 0 HH12 ARG B 55 18.822 -6.835 5.266 1.00 3.65 H new ATOM 0 HH21 ARG B 55 17.428 -4.418 7.465 1.00 3.41 H new ATOM 0 HH22 ARG B 55 17.800 -6.133 7.256 1.00 3.41 H new ATOM 1873 N PHE B 56 18.859 1.562 2.389 1.00 1.42 N ATOM 1874 CA PHE B 56 19.106 1.962 0.974 1.00 1.63 C ATOM 1875 C PHE B 56 19.711 3.352 0.929 1.00 2.45 C ATOM 1876 O PHE B 56 19.753 3.981 -0.112 1.00 3.11 O ATOM 1877 CB PHE B 56 17.799 2.001 0.181 1.00 1.48 C ATOM 1878 CG PHE B 56 17.072 0.647 0.129 1.00 1.19 C ATOM 1879 CD1 PHE B 56 17.654 -0.539 0.552 1.00 1.30 C ATOM 1880 CD2 PHE B 56 15.790 0.615 -0.384 1.00 1.63 C ATOM 1881 CE1 PHE B 56 16.959 -1.727 0.459 1.00 1.24 C ATOM 1882 CE2 PHE B 56 15.096 -0.571 -0.476 1.00 1.51 C ATOM 1883 CZ PHE B 56 15.679 -1.744 -0.056 1.00 0.99 C ATOM 0 H PHE B 56 17.951 1.838 2.763 1.00 1.42 H new ATOM 0 HA PHE B 56 19.783 1.228 0.537 1.00 1.63 H new ATOM 0 HB2 PHE B 56 17.136 2.743 0.625 1.00 1.48 H new ATOM 0 HB3 PHE B 56 18.010 2.330 -0.836 1.00 1.48 H new ATOM 0 HD1 PHE B 56 18.656 -0.532 0.956 1.00 1.30 H new ATOM 0 HD2 PHE B 56 15.326 1.532 -0.717 1.00 1.63 H new ATOM 0 HE1 PHE B 56 17.418 -2.647 0.790 1.00 1.24 H new ATOM 0 HE2 PHE B 56 14.094 -0.580 -0.878 1.00 1.51 H new ATOM 0 HZ PHE B 56 15.137 -2.675 -0.129 1.00 0.99 H new ATOM 1893 N GLY B 57 20.160 3.814 2.057 1.00 2.70 N ATOM 1894 CA GLY B 57 20.778 5.163 2.105 1.00 3.77 C ATOM 1895 C GLY B 57 22.238 5.056 1.689 1.00 4.43 C ATOM 1896 O GLY B 57 23.100 5.705 2.248 1.00 4.85 O ATOM 0 H GLY B 57 20.126 3.317 2.947 1.00 2.70 H new ATOM 0 HA2 GLY B 57 20.246 5.844 1.440 1.00 3.77 H new ATOM 0 HA3 GLY B 57 20.703 5.576 3.111 1.00 3.77 H new ATOM 1900 N ASP B 58 22.475 4.231 0.711 1.00 4.82 N ATOM 1901 CA ASP B 58 23.853 4.023 0.200 1.00 5.78 C ATOM 1902 C ASP B 58 23.873 4.776 -1.099 1.00 6.31 C ATOM 1903 O ASP B 58 22.917 5.440 -1.437 1.00 6.58 O ATOM 1904 CB ASP B 58 24.123 2.581 -0.140 1.00 6.24 C ATOM 1905 CG ASP B 58 23.266 2.277 -1.367 1.00 6.76 C ATOM 1906 OD1 ASP B 58 22.069 2.151 -1.193 1.00 6.88 O ATOM 1907 OD2 ASP B 58 23.834 2.176 -2.437 1.00 7.19 O ATOM 0 H ASP B 58 21.758 3.683 0.236 1.00 4.82 H new ATOM 0 HA ASP B 58 24.586 4.338 0.943 1.00 5.78 H new ATOM 0 HB2 ASP B 58 25.180 2.420 -0.351 1.00 6.24 H new ATOM 0 HB3 ASP B 58 23.861 1.927 0.692 1.00 6.24 H new ATOM 1912 N ASP B 59 24.966 4.634 -1.784 1.00 6.74 N ATOM 1913 CA ASP B 59 25.132 5.271 -3.110 1.00 7.58 C ATOM 1914 C ASP B 59 26.247 4.503 -3.750 1.00 8.01 C ATOM 1915 O ASP B 59 27.179 4.113 -3.076 1.00 8.18 O ATOM 1916 CB ASP B 59 25.602 6.707 -3.071 1.00 8.09 C ATOM 1917 CG ASP B 59 25.832 7.056 -4.543 1.00 8.40 C ATOM 1918 OD1 ASP B 59 24.849 7.043 -5.261 1.00 8.62 O ATOM 1919 OD2 ASP B 59 26.971 7.310 -4.885 1.00 8.56 O ATOM 0 H ASP B 59 25.770 4.090 -1.472 1.00 6.74 H new ATOM 0 HA ASP B 59 24.166 5.264 -3.616 1.00 7.58 H new ATOM 0 HB2 ASP B 59 24.856 7.360 -2.617 1.00 8.09 H new ATOM 0 HB3 ASP B 59 26.516 6.813 -2.487 1.00 8.09 H new ATOM 1924 N GLY B 60 26.131 4.298 -5.018 1.00 8.32 N ATOM 1925 CA GLY B 60 27.191 3.562 -5.732 1.00 8.93 C ATOM 1926 C GLY B 60 26.974 3.904 -7.188 1.00 9.28 C ATOM 1927 O GLY B 60 27.414 3.194 -8.072 1.00 9.74 O ATOM 0 H GLY B 60 25.348 4.608 -5.593 1.00 8.32 H new ATOM 0 HA2 GLY B 60 28.182 3.868 -5.396 1.00 8.93 H new ATOM 0 HA3 GLY B 60 27.113 2.488 -5.561 1.00 8.93 H new ATOM 1931 N GLU B 61 26.297 4.999 -7.395 1.00 9.25 N ATOM 1932 CA GLU B 61 26.009 5.416 -8.784 1.00 9.85 C ATOM 1933 C GLU B 61 26.145 6.921 -8.945 1.00 10.44 C ATOM 1934 O GLU B 61 26.106 7.423 -10.052 1.00 10.96 O ATOM 1935 CB GLU B 61 24.588 4.988 -9.151 1.00 9.95 C ATOM 1936 CG GLU B 61 23.664 5.113 -7.920 1.00 9.52 C ATOM 1937 CD GLU B 61 23.715 3.847 -7.045 1.00 9.36 C ATOM 1938 OE1 GLU B 61 24.116 2.816 -7.555 1.00 9.60 O ATOM 1939 OE2 GLU B 61 23.339 3.969 -5.893 1.00 9.14 O ATOM 0 H GLU B 61 25.936 5.614 -6.666 1.00 9.25 H new ATOM 0 HA GLU B 61 26.730 4.937 -9.447 1.00 9.85 H new ATOM 0 HB2 GLU B 61 24.211 5.609 -9.964 1.00 9.95 H new ATOM 0 HB3 GLU B 61 24.591 3.959 -9.511 1.00 9.95 H new ATOM 0 HG2 GLU B 61 23.961 5.978 -7.327 1.00 9.52 H new ATOM 0 HG3 GLU B 61 22.640 5.288 -8.249 1.00 9.52 H new ATOM 1946 N ASN B 62 26.295 7.622 -7.859 1.00 10.52 N ATOM 1947 CA ASN B 62 26.428 9.095 -8.015 1.00 11.24 C ATOM 1948 C ASN B 62 27.795 9.345 -8.619 1.00 11.48 C ATOM 1949 O ASN B 62 28.670 8.514 -8.487 1.00 11.62 O ATOM 1950 CB ASN B 62 26.362 9.798 -6.668 1.00 11.72 C ATOM 1951 CG ASN B 62 26.373 11.309 -6.922 1.00 12.30 C ATOM 1952 OD1 ASN B 62 27.508 11.933 -7.088 1.00 12.60 O flip ATOM 1953 ND2 ASN B 62 25.334 11.940 -6.976 1.00 12.60 N flip ATOM 0 H ASN B 62 26.331 7.259 -6.906 1.00 10.52 H new ATOM 0 HA ASN B 62 25.619 9.477 -8.638 1.00 11.24 H new ATOM 0 HB2 ASN B 62 25.459 9.508 -6.131 1.00 11.72 H new ATOM 0 HB3 ASN B 62 27.209 9.510 -6.046 1.00 11.72 H new ATOM 0 HD21 ASN B 62 24.441 11.464 -6.848 1.00 12.60 H new ATOM 0 HD22 ASN B 62 25.356 12.945 -7.149 1.00 12.60 H new ATOM 1960 N LEU B 63 27.937 10.471 -9.260 1.00 11.67 N ATOM 1961 CA LEU B 63 29.234 10.825 -9.883 1.00 12.09 C ATOM 1962 C LEU B 63 29.686 12.050 -9.116 1.00 12.33 C ATOM 1963 O LEU B 63 28.945 13.014 -9.212 1.00 12.50 O ATOM 1964 CB LEU B 63 29.037 11.176 -11.364 1.00 12.49 C ATOM 1965 CG LEU B 63 30.379 11.613 -11.997 1.00 12.64 C ATOM 1966 CD1 LEU B 63 31.390 10.449 -11.987 1.00 12.78 C ATOM 1967 CD2 LEU B 63 30.138 12.084 -13.443 1.00 12.96 C ATOM 1968 OXT LEU B 63 30.720 11.955 -8.485 1.00 12.46 O ATOM 0 H LEU B 63 27.200 11.166 -9.378 1.00 11.67 H new ATOM 0 HA LEU B 63 29.955 10.008 -9.844 1.00 12.09 H new ATOM 0 HB2 LEU B 63 28.639 10.314 -11.899 1.00 12.49 H new ATOM 0 HB3 LEU B 63 28.304 11.977 -11.460 1.00 12.49 H new ATOM 0 HG LEU B 63 30.792 12.433 -11.410 1.00 12.64 H new ATOM 0 HD11 LEU B 63 32.327 10.777 -12.437 1.00 12.78 H new ATOM 0 HD12 LEU B 63 31.571 10.133 -10.960 1.00 12.78 H new ATOM 0 HD13 LEU B 63 30.987 9.612 -12.558 1.00 12.78 H new ATOM 0 HD21 LEU B 63 31.084 12.392 -13.888 1.00 12.96 H new ATOM 0 HD22 LEU B 63 29.712 11.267 -14.025 1.00 12.96 H new ATOM 0 HD23 LEU B 63 29.447 12.927 -13.441 1.00 12.96 H new TER 1980 LEU B 63