USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 903 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: B 126 GLN : amide:sc= -4.11! C(o=-4.2!,f=-8.3!) USER MOD Set 1.2: B 155 GLN : amide:sc= -0.0894 X(o=-4.2,f=-4) USER MOD Set 2.1: A 23 ASN : amide:sc= -9.68! C(o=-20!,f=-10!) USER MOD Set 2.2: A 26 GLN : amide:sc= -7.63! C(o=-20!,f=-10!) USER MOD Set 2.3: A 55 GLN : amide:sc= -2.52! K(o=-20!,f=-16) USER MOD Set 3.1: A 18 HIS : no HD1:sc= 0.265 K(o=-0.27,f=-3.5) USER MOD Set 3.2: B 110 GLN : amide:sc= -0.539 K(o=-0.27,f=-1.1) USER MOD Set 4.1: A 3 ASN : amide:sc= -7.09! K(o=-9.7!,f=-3) USER MOD Set 4.2: A 9 GLN : amide:sc= -2.65 K(o=-9.7,f=-3.4!) USER MOD Single : A 1 VAL N :NH3+ -149:sc= 0.00806 (180deg=-0.491) USER MOD Single : A 4 LYS NZ :NH3+ -106:sc= -1.55! (180deg=-4.14!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.131 (180deg=-0.482) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 11 ASN : amide:sc= -1 X(o=-1,f=-0.83) USER MOD Single : A 14 TYR OH : rot 134:sc= -1.34 USER MOD Single : A 21 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : A 28 ASN : amide:sc= -4.16! C(o=-4.2!,f=-5.8!) USER MOD Single : A 32 GLN : amide:sc= -3.59! C(o=-3.6!,f=-2.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 1.38 (180deg=0.0589) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.19) USER MOD Single : A 41 SER OG : rot -95:sc= 1.03 USER MOD Single : A 43 ASN : amide:sc= -0.706 K(o=-0.71,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.101 (180deg=-0.492) USER MOD Single : A 52 ASN : amide:sc= -1.73 K(o=-1.7,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : B 104 LYS NZ :NH3+ -153:sc= 0.229 (180deg=-1.53!) USER MOD Single : B 106 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.052) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 140:sc= -0.534 USER MOD Single : B 113 SER OG : rot 75:sc= 0.363 USER MOD Single : B 118 THR OG1 : rot 0:sc= 0.564 USER MOD Single : B 121 ASN : amide:sc= -2.42 K(o=-2.4,f=-3.6!) USER MOD Single : B 123 ASN : amide:sc= -0.25 K(o=-0.25,f=-0.98) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 150:sc= -0.115 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.21) USER MOD Single : B 141 SER OG : rot 180:sc= -1.38! USER MOD Single : B 143 ASN : amide:sc= -1.54! K(o=-1.5!,f=0) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 ASN : amide:sc= -5.51! C(o=-5.5!,f=-15!) USER MOD Single : B 158 LYS NZ :NH3+ 167:sc= -0.0294 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -7.517 -11.344 -3.439 1.00 6.84 N ATOM 2 CA VAL A 1 -8.659 -11.728 -2.569 1.00 6.39 C ATOM 3 C VAL A 1 -8.419 -11.287 -1.128 1.00 5.45 C ATOM 4 O VAL A 1 -7.415 -11.651 -0.516 1.00 5.57 O ATOM 5 CB VAL A 1 -8.894 -13.251 -2.595 1.00 7.06 C ATOM 6 CG1 VAL A 1 -10.160 -13.612 -1.833 1.00 7.37 C ATOM 7 CG2 VAL A 1 -8.964 -13.758 -4.028 1.00 7.36 C ATOM 0 H1 VAL A 1 -7.862 -11.155 -4.402 1.00 6.84 H new ATOM 0 H2 VAL A 1 -7.064 -10.488 -3.060 1.00 6.84 H new ATOM 0 H3 VAL A 1 -6.825 -12.120 -3.465 1.00 6.84 H new ATOM 0 HA VAL A 1 -9.543 -11.224 -2.960 1.00 6.39 H new ATOM 0 HB VAL A 1 -8.051 -13.736 -2.103 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -10.308 -14.692 -1.863 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -10.066 -13.288 -0.797 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -11.015 -13.116 -2.292 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -9.130 -14.835 -4.025 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -9.785 -13.265 -4.549 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -8.027 -13.537 -4.538 1.00 7.36 H new ATOM 19 N ASP A 2 -9.348 -10.499 -0.593 1.00 4.87 N ATOM 20 CA ASP A 2 -9.243 -10.009 0.778 1.00 4.23 C ATOM 21 C ASP A 2 -9.726 -11.066 1.765 1.00 3.33 C ATOM 22 O ASP A 2 -10.212 -12.124 1.365 1.00 3.72 O ATOM 23 CB ASP A 2 -10.058 -8.726 0.947 1.00 5.03 C ATOM 24 CG ASP A 2 -11.549 -8.966 0.806 1.00 5.73 C ATOM 25 OD1 ASP A 2 -12.045 -8.965 -0.340 1.00 6.07 O ATOM 26 OD2 ASP A 2 -12.219 -9.156 1.843 1.00 6.23 O ATOM 0 H ASP A 2 -10.183 -10.186 -1.089 1.00 4.87 H new ATOM 0 HA ASP A 2 -8.195 -9.793 0.984 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -9.853 -8.295 1.927 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -9.738 -7.995 0.204 1.00 5.03 H new ATOM 31 N ASN A 3 -9.595 -10.773 3.056 1.00 2.66 N ATOM 32 CA ASN A 3 -10.022 -11.703 4.094 1.00 2.31 C ATOM 33 C ASN A 3 -10.154 -11.004 5.449 1.00 1.47 C ATOM 34 O ASN A 3 -11.046 -10.178 5.641 1.00 2.12 O ATOM 35 CB ASN A 3 -9.048 -12.882 4.185 1.00 2.82 C ATOM 36 CG ASN A 3 -7.595 -12.459 4.046 1.00 3.16 C ATOM 37 OD1 ASN A 3 -6.757 -13.230 3.577 1.00 3.78 O ATOM 38 ND2 ASN A 3 -7.287 -11.232 4.450 1.00 3.18 N ATOM 0 H ASN A 3 -9.198 -9.901 3.406 1.00 2.66 H new ATOM 0 HA ASN A 3 -11.007 -12.083 3.822 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -9.185 -13.387 5.141 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -9.287 -13.606 3.406 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -6.326 -10.897 4.377 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -8.011 -10.624 4.833 1.00 3.18 H new ATOM 45 N LYS A 4 -9.268 -11.336 6.387 1.00 0.80 N ATOM 46 CA LYS A 4 -9.304 -10.740 7.718 1.00 1.31 C ATOM 47 C LYS A 4 -8.158 -9.752 7.911 1.00 1.28 C ATOM 48 O LYS A 4 -8.153 -8.973 8.865 1.00 2.13 O ATOM 49 CB LYS A 4 -9.228 -11.831 8.789 1.00 2.13 C ATOM 50 CG LYS A 4 -10.326 -12.880 8.680 1.00 2.28 C ATOM 51 CD LYS A 4 -11.709 -12.288 8.919 1.00 3.10 C ATOM 52 CE LYS A 4 -11.927 -11.925 10.382 1.00 3.72 C ATOM 53 NZ LYS A 4 -11.250 -10.651 10.753 1.00 4.09 N ATOM 0 H LYS A 4 -8.518 -12.014 6.248 1.00 0.80 H new ATOM 0 HA LYS A 4 -10.246 -10.200 7.816 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -8.259 -12.325 8.722 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -9.281 -11.365 9.773 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -10.294 -13.337 7.691 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -10.142 -13.674 9.404 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -11.835 -11.398 8.302 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -12.469 -13.003 8.605 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -12.996 -11.837 10.577 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -11.553 -12.731 11.014 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -10.408 -10.860 11.327 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -10.964 -10.146 9.890 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -11.904 -10.057 11.301 1.00 4.09 H new ATOM 67 N PHE A 5 -7.187 -9.795 7.001 1.00 0.53 N ATOM 68 CA PHE A 5 -6.028 -8.912 7.069 1.00 0.42 C ATOM 69 C PHE A 5 -5.225 -9.191 8.332 1.00 0.40 C ATOM 70 O PHE A 5 -5.270 -8.425 9.295 1.00 0.49 O ATOM 71 CB PHE A 5 -6.456 -7.441 7.024 1.00 0.34 C ATOM 72 CG PHE A 5 -7.169 -7.061 5.758 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.500 -7.060 4.544 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.508 -6.705 5.783 1.00 0.35 C ATOM 75 CE1 PHE A 5 -7.154 -6.711 3.379 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.166 -6.353 4.619 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.488 -6.356 3.416 1.00 0.40 C ATOM 0 H PHE A 5 -7.181 -10.434 6.206 1.00 0.53 H new ATOM 0 HA PHE A 5 -5.399 -9.109 6.201 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.107 -7.234 7.874 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.574 -6.811 7.138 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.456 -7.335 4.509 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.043 -6.702 6.721 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.622 -6.716 2.439 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.209 -6.076 4.651 1.00 0.39 H new ATOM 0 HZ PHE A 5 -9.000 -6.081 2.506 1.00 0.40 H new ATOM 87 N ASN A 6 -4.494 -10.300 8.317 1.00 0.35 N ATOM 88 CA ASN A 6 -3.682 -10.709 9.456 1.00 0.37 C ATOM 89 C ASN A 6 -2.656 -9.642 9.829 1.00 0.37 C ATOM 90 O ASN A 6 -2.570 -8.594 9.190 1.00 0.36 O ATOM 91 CB ASN A 6 -2.978 -12.029 9.146 1.00 0.36 C ATOM 92 CG ASN A 6 -3.920 -13.210 9.188 1.00 0.97 C ATOM 93 OD1 ASN A 6 -4.568 -13.537 8.195 1.00 1.73 O ATOM 94 ND2 ASN A 6 -3.999 -13.859 10.340 1.00 1.69 N ATOM 0 H ASN A 6 -4.448 -10.936 7.521 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.346 -10.842 10.310 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.519 -11.969 8.159 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.172 -12.185 9.864 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -4.616 -14.666 10.429 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -3.442 -13.552 11.138 1.00 1.69 H new ATOM 101 N LYS A 7 -1.875 -9.925 10.866 1.00 0.40 N ATOM 102 CA LYS A 7 -0.856 -8.995 11.338 1.00 0.43 C ATOM 103 C LYS A 7 0.280 -8.874 10.329 1.00 0.40 C ATOM 104 O LYS A 7 0.639 -7.773 9.918 1.00 0.38 O ATOM 105 CB LYS A 7 -0.309 -9.451 12.694 1.00 0.52 C ATOM 106 CG LYS A 7 0.730 -8.509 13.283 1.00 0.58 C ATOM 107 CD LYS A 7 0.124 -7.164 13.661 1.00 0.60 C ATOM 108 CE LYS A 7 -0.791 -7.282 14.869 1.00 1.39 C ATOM 109 NZ LYS A 7 -0.063 -7.778 16.070 1.00 1.90 N ATOM 0 H LYS A 7 -1.929 -10.794 11.397 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.318 -8.015 11.453 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.137 -9.548 13.396 1.00 0.52 H new ATOM 0 HB3 LYS A 7 0.133 -10.441 12.583 1.00 0.52 H new ATOM 0 HG2 LYS A 7 1.177 -8.967 14.165 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.533 -8.356 12.562 1.00 0.58 H new ATOM 0 HD2 LYS A 7 0.921 -6.453 13.876 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.438 -6.767 12.816 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -1.231 -6.309 15.087 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -1.613 -7.959 14.637 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -0.615 -7.562 16.924 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 0.070 -8.807 15.995 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 0.865 -7.312 16.130 1.00 1.90 H new ATOM 123 N GLU A 8 0.839 -10.015 9.935 1.00 0.43 N ATOM 124 CA GLU A 8 1.935 -10.036 8.973 1.00 0.43 C ATOM 125 C GLU A 8 1.531 -9.352 7.673 1.00 0.37 C ATOM 126 O GLU A 8 2.359 -8.740 7.000 1.00 0.39 O ATOM 127 CB GLU A 8 2.371 -11.474 8.693 1.00 0.47 C ATOM 128 CG GLU A 8 2.734 -12.254 9.946 1.00 0.52 C ATOM 129 CD GLU A 8 3.195 -13.666 9.642 1.00 1.03 C ATOM 130 OE1 GLU A 8 4.408 -13.860 9.419 1.00 1.80 O ATOM 131 OE2 GLU A 8 2.342 -14.578 9.626 1.00 0.95 O ATOM 0 H GLU A 8 0.551 -10.935 10.267 1.00 0.43 H new ATOM 0 HA GLU A 8 2.773 -9.489 9.405 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.567 -11.994 8.172 1.00 0.47 H new ATOM 0 HB3 GLU A 8 3.230 -11.460 8.022 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.523 -11.726 10.482 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.869 -12.293 10.608 1.00 0.52 H new ATOM 138 N GLN A 9 0.254 -9.464 7.321 1.00 0.34 N ATOM 139 CA GLN A 9 -0.253 -8.844 6.107 1.00 0.33 C ATOM 140 C GLN A 9 -0.220 -7.326 6.237 1.00 0.30 C ATOM 141 O GLN A 9 -0.046 -6.609 5.251 1.00 0.32 O ATOM 142 CB GLN A 9 -1.678 -9.316 5.824 1.00 0.36 C ATOM 143 CG GLN A 9 -2.110 -9.098 4.386 1.00 0.38 C ATOM 144 CD GLN A 9 -3.556 -9.483 4.144 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.098 -10.360 4.816 1.00 1.44 O ATOM 146 NE2 GLN A 9 -4.187 -8.831 3.174 1.00 0.50 N ATOM 0 H GLN A 9 -0.445 -9.977 7.859 1.00 0.34 H new ATOM 0 HA GLN A 9 0.385 -9.140 5.274 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -1.756 -10.377 6.062 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.366 -8.790 6.486 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -1.969 -8.049 4.124 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.468 -9.681 3.726 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.698 -8.111 2.642 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.160 -9.050 2.961 1.00 0.50 H new ATOM 155 N GLN A 10 -0.392 -6.847 7.466 1.00 0.27 N ATOM 156 CA GLN A 10 -0.376 -5.415 7.744 1.00 0.25 C ATOM 157 C GLN A 10 1.055 -4.900 7.823 1.00 0.23 C ATOM 158 O GLN A 10 1.361 -3.809 7.343 1.00 0.26 O ATOM 159 CB GLN A 10 -1.112 -5.122 9.052 1.00 0.26 C ATOM 160 CG GLN A 10 -1.384 -3.645 9.279 1.00 0.26 C ATOM 161 CD GLN A 10 -2.079 -3.374 10.600 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.880 -4.093 11.578 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.904 -2.334 10.631 1.00 0.89 N ATOM 0 H GLN A 10 -0.545 -7.432 8.287 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.885 -4.901 6.929 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.059 -5.662 9.055 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.523 -5.507 9.885 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.442 -3.098 9.250 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.000 -3.264 8.464 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.039 -1.765 9.795 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.403 -2.104 11.490 1.00 0.89 H new ATOM 172 N ASN A 11 1.928 -5.695 8.432 1.00 0.24 N ATOM 173 CA ASN A 11 3.329 -5.324 8.573 1.00 0.23 C ATOM 174 C ASN A 11 4.006 -5.256 7.210 1.00 0.21 C ATOM 175 O ASN A 11 4.772 -4.335 6.934 1.00 0.22 O ATOM 176 CB ASN A 11 4.058 -6.325 9.473 1.00 0.27 C ATOM 177 CG ASN A 11 3.489 -6.359 10.878 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.965 -5.361 11.373 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.591 -7.511 11.532 1.00 0.82 N ATOM 0 H ASN A 11 1.689 -6.601 8.836 1.00 0.24 H new ATOM 0 HA ASN A 11 3.376 -4.337 9.034 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.992 -7.320 9.033 1.00 0.27 H new ATOM 0 HB3 ASN A 11 5.116 -6.066 9.518 1.00 0.27 H new ATOM 0 HD21 ASN A 11 3.227 -7.592 12.482 1.00 0.82 H new ATOM 0 HD22 ASN A 11 4.033 -8.314 11.085 1.00 0.82 H new ATOM 186 N ALA A 12 3.713 -6.234 6.357 1.00 0.19 N ATOM 187 CA ALA A 12 4.292 -6.282 5.020 1.00 0.18 C ATOM 188 C ALA A 12 3.928 -5.036 4.221 1.00 0.15 C ATOM 189 O ALA A 12 4.717 -4.553 3.411 1.00 0.20 O ATOM 190 CB ALA A 12 3.833 -7.535 4.290 1.00 0.22 C ATOM 0 H ALA A 12 3.078 -7.003 6.569 1.00 0.19 H new ATOM 0 HA ALA A 12 5.377 -6.313 5.121 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.273 -7.557 3.293 1.00 0.22 H new ATOM 0 HB2 ALA A 12 4.150 -8.417 4.846 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.746 -7.530 4.207 1.00 0.22 H new ATOM 196 N PHE A 13 2.729 -4.520 4.460 1.00 0.13 N ATOM 197 CA PHE A 13 2.251 -3.328 3.769 1.00 0.11 C ATOM 198 C PHE A 13 3.102 -2.113 4.126 1.00 0.11 C ATOM 199 O PHE A 13 3.690 -1.476 3.253 1.00 0.15 O ATOM 200 CB PHE A 13 0.786 -3.074 4.134 1.00 0.14 C ATOM 201 CG PHE A 13 0.238 -1.773 3.615 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.301 -1.692 2.339 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.268 -0.631 4.399 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.797 -0.496 1.858 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.228 0.566 3.922 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.787 0.625 2.660 1.00 0.11 C ATOM 0 H PHE A 13 2.067 -4.910 5.130 1.00 0.13 H new ATOM 0 HA PHE A 13 2.332 -3.493 2.695 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.179 -3.892 3.745 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.685 -3.091 5.219 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.333 -2.573 1.715 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.684 -0.678 5.395 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.192 -0.439 0.855 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.179 1.454 4.534 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.216 1.549 2.302 1.00 0.11 H new ATOM 216 N TYR A 14 3.164 -1.803 5.416 1.00 0.11 N ATOM 217 CA TYR A 14 3.930 -0.657 5.896 1.00 0.13 C ATOM 218 C TYR A 14 5.414 -0.786 5.564 1.00 0.13 C ATOM 219 O TYR A 14 6.043 0.183 5.140 1.00 0.17 O ATOM 220 CB TYR A 14 3.746 -0.493 7.404 1.00 0.16 C ATOM 221 CG TYR A 14 2.343 -0.103 7.810 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.796 1.113 7.417 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.559 -0.955 8.580 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.509 1.466 7.775 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.272 -0.607 8.944 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.231 0.627 8.574 1.00 0.33 C ATOM 227 OH TYR A 14 -1.531 0.952 8.893 1.00 0.42 O ATOM 0 H TYR A 14 2.692 -2.330 6.151 1.00 0.11 H new ATOM 0 HA TYR A 14 3.550 0.228 5.385 1.00 0.13 H new ATOM 0 HB2 TYR A 14 4.009 -1.429 7.896 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.442 0.264 7.765 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.387 1.793 6.822 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.963 -1.905 8.899 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.086 2.397 7.428 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.337 -1.294 9.513 1.00 0.32 H new ATOM 0 HH TYR A 14 -2.103 0.165 8.777 1.00 0.42 H new ATOM 237 N GLU A 15 5.973 -1.978 5.759 1.00 0.11 N ATOM 238 CA GLU A 15 7.387 -2.211 5.479 1.00 0.12 C ATOM 239 C GLU A 15 7.715 -1.873 4.028 1.00 0.12 C ATOM 240 O GLU A 15 8.784 -1.339 3.731 1.00 0.19 O ATOM 241 CB GLU A 15 7.759 -3.665 5.773 1.00 0.13 C ATOM 242 CG GLU A 15 7.738 -4.011 7.252 1.00 0.19 C ATOM 243 CD GLU A 15 7.995 -5.483 7.510 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.177 -5.887 7.527 1.00 1.08 O ATOM 245 OE2 GLU A 15 7.013 -6.232 7.698 1.00 2.16 O ATOM 0 H GLU A 15 5.471 -2.794 6.108 1.00 0.11 H new ATOM 0 HA GLU A 15 7.971 -1.559 6.128 1.00 0.12 H new ATOM 0 HB2 GLU A 15 7.068 -4.322 5.245 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.754 -3.864 5.376 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.491 -3.418 7.771 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.771 -3.736 7.672 1.00 0.19 H new ATOM 252 N ILE A 16 6.786 -2.186 3.133 1.00 0.10 N ATOM 253 CA ILE A 16 6.967 -1.913 1.715 1.00 0.09 C ATOM 254 C ILE A 16 6.905 -0.410 1.442 1.00 0.12 C ATOM 255 O ILE A 16 7.507 0.086 0.490 1.00 0.16 O ATOM 256 CB ILE A 16 5.910 -2.662 0.872 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.223 -4.161 0.868 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.856 -2.121 -0.550 1.00 0.12 C ATOM 259 CD1 ILE A 16 5.113 -5.020 0.305 1.00 0.14 C ATOM 0 H ILE A 16 5.898 -2.630 3.366 1.00 0.10 H new ATOM 0 HA ILE A 16 7.953 -2.274 1.424 1.00 0.09 H new ATOM 0 HB ILE A 16 4.930 -2.502 1.322 1.00 0.10 H new ATOM 0 HG12 ILE A 16 7.130 -4.331 0.287 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.434 -4.480 1.889 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.104 -2.667 -1.119 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.596 -1.063 -0.527 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.830 -2.245 -1.024 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.412 -6.068 0.337 1.00 0.14 H new ATOM 0 HD12 ILE A 16 4.209 -4.882 0.899 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.917 -4.730 -0.727 1.00 0.14 H new ATOM 271 N LEU A 17 6.180 0.310 2.296 1.00 0.14 N ATOM 272 CA LEU A 17 6.052 1.758 2.162 1.00 0.19 C ATOM 273 C LEU A 17 7.297 2.457 2.704 1.00 0.18 C ATOM 274 O LEU A 17 7.756 3.456 2.147 1.00 0.26 O ATOM 275 CB LEU A 17 4.820 2.261 2.918 1.00 0.27 C ATOM 276 CG LEU A 17 3.559 2.432 2.070 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.801 1.119 1.957 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.674 3.517 2.661 1.00 0.77 C ATOM 0 H LEU A 17 5.673 -0.086 3.087 1.00 0.14 H new ATOM 0 HA LEU A 17 5.942 1.990 1.103 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.602 1.565 3.728 1.00 0.27 H new ATOM 0 HB3 LEU A 17 5.062 3.219 3.377 1.00 0.27 H new ATOM 0 HG LEU A 17 3.855 2.734 1.066 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.908 1.266 1.349 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.439 0.369 1.489 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.511 0.779 2.951 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.779 3.630 2.049 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.387 3.240 3.675 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.220 4.460 2.683 1.00 0.77 H new ATOM 290 N HIS A 18 7.841 1.913 3.791 1.00 0.16 N ATOM 291 CA HIS A 18 9.024 2.478 4.435 1.00 0.16 C ATOM 292 C HIS A 18 10.238 2.462 3.509 1.00 0.13 C ATOM 293 O HIS A 18 11.121 3.311 3.625 1.00 0.15 O ATOM 294 CB HIS A 18 9.344 1.705 5.719 1.00 0.17 C ATOM 295 CG HIS A 18 8.335 1.899 6.812 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.523 1.435 8.098 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.126 2.512 6.809 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.474 1.753 8.835 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.613 2.406 8.078 1.00 0.33 N ATOM 0 H HIS A 18 7.478 1.076 4.246 1.00 0.16 H new ATOM 0 HA HIS A 18 8.800 3.517 4.676 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.412 0.643 5.485 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.324 2.014 6.083 1.00 0.17 H new ATOM 0 HD2 HIS A 18 6.654 2.994 5.965 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.343 1.518 9.881 1.00 0.60 H new ATOM 0 HE2 HIS A 18 5.712 2.773 8.386 1.00 0.33 H new ATOM 308 N LEU A 19 10.281 1.493 2.598 1.00 0.14 N ATOM 309 CA LEU A 19 11.394 1.375 1.659 1.00 0.14 C ATOM 310 C LEU A 19 11.677 2.720 0.981 1.00 0.16 C ATOM 311 O LEU A 19 10.866 3.202 0.190 1.00 0.18 O ATOM 312 CB LEU A 19 11.090 0.302 0.611 1.00 0.12 C ATOM 313 CG LEU A 19 10.919 -1.114 1.173 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.556 -2.091 0.067 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.188 -1.562 1.884 1.00 0.12 C ATOM 0 H LEU A 19 9.560 0.780 2.490 1.00 0.14 H new ATOM 0 HA LEU A 19 12.284 1.080 2.215 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.179 0.580 0.080 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.896 0.292 -0.123 1.00 0.12 H new ATOM 0 HG LEU A 19 10.104 -1.098 1.897 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.439 -3.090 0.488 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.620 -1.782 -0.399 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.348 -2.103 -0.682 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.049 -2.569 2.277 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.020 -1.559 1.180 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.405 -0.879 2.705 1.00 0.12 H new ATOM 327 N PRO A 20 12.837 3.342 1.281 1.00 0.18 N ATOM 328 CA PRO A 20 13.206 4.641 0.714 1.00 0.21 C ATOM 329 C PRO A 20 13.785 4.536 -0.693 1.00 0.21 C ATOM 330 O PRO A 20 13.387 5.277 -1.593 1.00 0.23 O ATOM 331 CB PRO A 20 14.267 5.144 1.689 1.00 0.24 C ATOM 332 CG PRO A 20 14.938 3.906 2.178 1.00 0.22 C ATOM 333 CD PRO A 20 13.882 2.829 2.193 1.00 0.19 C ATOM 0 HA PRO A 20 12.343 5.298 0.606 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.974 5.811 1.197 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.819 5.704 2.510 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.766 3.629 1.526 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.354 4.057 3.174 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.280 1.875 1.848 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.491 2.667 3.197 1.00 0.19 H new ATOM 341 N ASN A 21 14.728 3.617 -0.877 1.00 0.20 N ATOM 342 CA ASN A 21 15.364 3.428 -2.175 1.00 0.21 C ATOM 343 C ASN A 21 14.351 2.957 -3.212 1.00 0.20 C ATOM 344 O ASN A 21 14.513 3.204 -4.407 1.00 0.23 O ATOM 345 CB ASN A 21 16.514 2.426 -2.061 1.00 0.21 C ATOM 346 CG ASN A 21 17.583 2.888 -1.089 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.822 4.085 -0.935 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.231 1.938 -0.423 1.00 0.26 N ATOM 0 H ASN A 21 15.068 2.993 -0.145 1.00 0.20 H new ATOM 0 HA ASN A 21 15.765 4.387 -2.502 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.123 1.462 -1.736 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.960 2.274 -3.044 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.958 2.190 0.246 1.00 0.26 H new ATOM 0 HD22 ASN A 21 18.001 0.957 -0.581 1.00 0.26 H new ATOM 355 N LEU A 22 13.304 2.281 -2.749 1.00 0.18 N ATOM 356 CA LEU A 22 12.262 1.788 -3.641 1.00 0.17 C ATOM 357 C LEU A 22 11.383 2.940 -4.104 1.00 0.20 C ATOM 358 O LEU A 22 10.961 3.770 -3.298 1.00 0.26 O ATOM 359 CB LEU A 22 11.402 0.737 -2.937 1.00 0.17 C ATOM 360 CG LEU A 22 10.619 -0.189 -3.870 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.520 -1.292 -4.403 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.418 -0.779 -3.149 1.00 0.26 C ATOM 0 H LEU A 22 13.155 2.063 -1.764 1.00 0.18 H new ATOM 0 HA LEU A 22 12.741 1.328 -4.506 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.046 0.128 -2.302 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.697 1.247 -2.280 1.00 0.17 H new ATOM 0 HG LEU A 22 10.257 0.397 -4.715 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.947 -1.942 -5.065 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.348 -0.850 -4.956 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.911 -1.877 -3.570 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.873 -1.435 -3.827 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.757 -1.351 -2.285 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.762 0.025 -2.816 1.00 0.26 H new ATOM 374 N ASN A 23 11.109 2.991 -5.401 1.00 0.22 N ATOM 375 CA ASN A 23 10.279 4.053 -5.953 1.00 0.27 C ATOM 376 C ASN A 23 8.804 3.673 -5.895 1.00 0.24 C ATOM 377 O ASN A 23 8.454 2.583 -5.442 1.00 0.29 O ATOM 378 CB ASN A 23 10.695 4.373 -7.391 1.00 0.33 C ATOM 379 CG ASN A 23 10.678 3.154 -8.286 1.00 0.75 C ATOM 380 OD1 ASN A 23 11.672 2.435 -8.396 1.00 1.59 O ATOM 381 ND2 ASN A 23 9.549 2.919 -8.937 1.00 1.33 N ATOM 0 H ASN A 23 11.447 2.315 -6.086 1.00 0.22 H new ATOM 0 HA ASN A 23 10.425 4.947 -5.346 1.00 0.27 H new ATOM 0 HB2 ASN A 23 10.024 5.129 -7.800 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.696 4.803 -7.388 1.00 0.33 H new ATOM 0 HD21 ASN A 23 9.478 2.115 -9.560 1.00 1.33 H new ATOM 0 HD22 ASN A 23 8.751 3.542 -8.815 1.00 1.33 H new ATOM 388 N GLU A 24 7.943 4.574 -6.351 1.00 0.29 N ATOM 389 CA GLU A 24 6.505 4.333 -6.332 1.00 0.29 C ATOM 390 C GLU A 24 6.094 3.295 -7.376 1.00 0.24 C ATOM 391 O GLU A 24 5.219 2.469 -7.121 1.00 0.22 O ATOM 392 CB GLU A 24 5.748 5.639 -6.573 1.00 0.36 C ATOM 393 CG GLU A 24 6.113 6.742 -5.594 1.00 1.23 C ATOM 394 CD GLU A 24 5.352 8.026 -5.855 1.00 1.42 C ATOM 395 OE1 GLU A 24 4.242 8.181 -5.302 1.00 2.17 O ATOM 396 OE2 GLU A 24 5.865 8.878 -6.611 1.00 1.25 O ATOM 0 H GLU A 24 8.215 5.478 -6.738 1.00 0.29 H new ATOM 0 HA GLU A 24 6.249 3.940 -5.348 1.00 0.29 H new ATOM 0 HB2 GLU A 24 5.949 5.984 -7.587 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.677 5.446 -6.508 1.00 0.36 H new ATOM 0 HG2 GLU A 24 5.910 6.403 -4.578 1.00 1.23 H new ATOM 0 HG3 GLU A 24 7.183 6.939 -5.656 1.00 1.23 H new ATOM 403 N GLU A 25 6.724 3.337 -8.547 1.00 0.27 N ATOM 404 CA GLU A 25 6.397 2.395 -9.618 1.00 0.28 C ATOM 405 C GLU A 25 6.601 0.952 -9.162 1.00 0.24 C ATOM 406 O GLU A 25 5.785 0.080 -9.458 1.00 0.30 O ATOM 407 CB GLU A 25 7.240 2.674 -10.864 1.00 0.36 C ATOM 408 CG GLU A 25 7.106 4.096 -11.385 1.00 0.91 C ATOM 409 CD GLU A 25 7.944 4.346 -12.624 1.00 1.60 C ATOM 410 OE1 GLU A 25 9.121 4.736 -12.477 1.00 2.20 O ATOM 411 OE2 GLU A 25 7.421 4.151 -13.742 1.00 2.00 O ATOM 0 H GLU A 25 7.458 4.006 -8.779 1.00 0.27 H new ATOM 0 HA GLU A 25 5.345 2.533 -9.868 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.287 2.477 -10.635 1.00 0.36 H new ATOM 0 HB3 GLU A 25 6.950 1.979 -11.652 1.00 0.36 H new ATOM 0 HG2 GLU A 25 6.059 4.298 -11.612 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.403 4.795 -10.603 1.00 0.91 H new ATOM 418 N GLN A 26 7.691 0.705 -8.441 1.00 0.18 N ATOM 419 CA GLN A 26 7.989 -0.634 -7.946 1.00 0.15 C ATOM 420 C GLN A 26 7.096 -0.971 -6.759 1.00 0.13 C ATOM 421 O GLN A 26 6.512 -2.052 -6.691 1.00 0.16 O ATOM 422 CB GLN A 26 9.461 -0.740 -7.541 1.00 0.15 C ATOM 423 CG GLN A 26 10.420 -0.555 -8.704 1.00 0.19 C ATOM 424 CD GLN A 26 11.866 -0.484 -8.274 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.764 -0.897 -9.009 1.00 2.00 O ATOM 426 NE2 GLN A 26 12.104 0.037 -7.083 1.00 1.59 N ATOM 0 H GLN A 26 8.380 1.413 -8.187 1.00 0.18 H new ATOM 0 HA GLN A 26 7.794 -1.347 -8.747 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.676 0.010 -6.779 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.636 -1.715 -7.087 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.296 -1.381 -9.405 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.161 0.359 -9.239 1.00 0.19 H new ATOM 0 HE21 GLN A 26 11.330 0.367 -6.507 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.062 0.109 -6.740 1.00 1.59 H new ATOM 435 N ARG A 27 6.999 -0.027 -5.830 1.00 0.13 N ATOM 436 CA ARG A 27 6.179 -0.196 -4.637 1.00 0.13 C ATOM 437 C ARG A 27 4.739 -0.547 -4.999 1.00 0.14 C ATOM 438 O ARG A 27 4.110 -1.377 -4.344 1.00 0.23 O ATOM 439 CB ARG A 27 6.208 1.083 -3.803 1.00 0.14 C ATOM 440 CG ARG A 27 5.328 1.026 -2.567 1.00 0.18 C ATOM 441 CD ARG A 27 5.401 2.323 -1.783 1.00 0.41 C ATOM 442 NE ARG A 27 6.776 2.675 -1.444 1.00 1.59 N ATOM 443 CZ ARG A 27 7.276 3.901 -1.565 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.518 4.890 -2.020 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.538 4.139 -1.237 1.00 3.04 N ATOM 0 H ARG A 27 7.482 0.870 -5.882 1.00 0.13 H new ATOM 0 HA ARG A 27 6.592 -1.021 -4.056 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.235 1.284 -3.498 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.891 1.920 -4.426 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.296 0.833 -2.860 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.640 0.196 -1.933 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.954 3.127 -2.368 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.814 2.229 -0.869 1.00 0.41 H new ATOM 0 HE ARG A 27 7.389 1.938 -1.094 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.548 4.711 -2.279 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.906 5.829 -2.111 1.00 1.37 H new ATOM 0 HH21 ARG A 27 9.127 3.381 -0.891 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.920 5.080 -1.330 1.00 3.04 H new ATOM 459 N ASN A 28 4.222 0.094 -6.042 1.00 0.13 N ATOM 460 CA ASN A 28 2.854 -0.147 -6.490 1.00 0.15 C ATOM 461 C ASN A 28 2.677 -1.592 -6.939 1.00 0.15 C ATOM 462 O ASN A 28 1.661 -2.222 -6.644 1.00 0.21 O ATOM 463 CB ASN A 28 2.491 0.802 -7.634 1.00 0.19 C ATOM 464 CG ASN A 28 2.146 2.195 -7.151 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.315 2.883 -7.745 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.788 2.625 -6.072 1.00 0.19 N ATOM 0 H ASN A 28 4.730 0.785 -6.594 1.00 0.13 H new ATOM 0 HA ASN A 28 2.186 0.040 -5.649 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.327 0.860 -8.331 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.644 0.393 -8.185 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.600 3.558 -5.705 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.469 2.023 -5.610 1.00 0.19 H new ATOM 473 N ALA A 29 3.669 -2.108 -7.656 1.00 0.12 N ATOM 474 CA ALA A 29 3.627 -3.480 -8.143 1.00 0.12 C ATOM 475 C ALA A 29 3.498 -4.462 -6.985 1.00 0.11 C ATOM 476 O ALA A 29 2.805 -5.475 -7.090 1.00 0.15 O ATOM 477 CB ALA A 29 4.868 -3.788 -8.967 1.00 0.15 C ATOM 0 H ALA A 29 4.513 -1.595 -7.913 1.00 0.12 H new ATOM 0 HA ALA A 29 2.750 -3.590 -8.781 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.822 -4.817 -9.324 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.916 -3.110 -9.819 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.757 -3.658 -8.349 1.00 0.15 H new ATOM 483 N PHE A 30 4.170 -4.156 -5.879 1.00 0.10 N ATOM 484 CA PHE A 30 4.122 -5.011 -4.699 1.00 0.10 C ATOM 485 C PHE A 30 2.776 -4.880 -3.997 1.00 0.12 C ATOM 486 O PHE A 30 2.165 -5.880 -3.626 1.00 0.18 O ATOM 487 CB PHE A 30 5.264 -4.666 -3.741 1.00 0.12 C ATOM 488 CG PHE A 30 6.617 -5.039 -4.277 1.00 0.12 C ATOM 489 CD1 PHE A 30 6.994 -6.367 -4.383 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.515 -4.057 -4.666 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.243 -6.710 -4.869 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.763 -4.394 -5.153 1.00 0.21 C ATOM 493 CZ PHE A 30 9.113 -5.732 -5.285 1.00 0.20 C ATOM 0 H PHE A 30 4.752 -3.325 -5.776 1.00 0.10 H new ATOM 0 HA PHE A 30 4.242 -6.046 -5.019 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.245 -3.596 -3.533 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.102 -5.178 -2.793 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.306 -7.143 -4.083 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.236 -3.017 -4.587 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.534 -7.749 -4.921 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.464 -3.620 -5.430 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.067 -6.002 -5.714 1.00 0.20 H new ATOM 503 N ILE A 31 2.318 -3.643 -3.818 1.00 0.10 N ATOM 504 CA ILE A 31 1.032 -3.390 -3.178 1.00 0.11 C ATOM 505 C ILE A 31 -0.082 -4.059 -3.978 1.00 0.11 C ATOM 506 O ILE A 31 -1.101 -4.481 -3.428 1.00 0.16 O ATOM 507 CB ILE A 31 0.754 -1.873 -3.060 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.779 -1.223 -2.124 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.665 -1.614 -2.564 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.602 0.272 -1.964 1.00 0.13 C ATOM 0 H ILE A 31 2.818 -2.802 -4.107 1.00 0.10 H new ATOM 0 HA ILE A 31 1.064 -3.808 -2.172 1.00 0.11 H new ATOM 0 HB ILE A 31 0.848 -1.427 -4.050 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.711 -1.694 -1.143 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.781 -1.422 -2.504 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.834 -0.540 -2.490 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.380 -2.047 -3.264 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.796 -2.070 -1.583 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.364 0.658 -1.287 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.700 0.756 -2.936 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.614 0.480 -1.554 1.00 0.13 H new ATOM 522 N GLN A 32 0.134 -4.151 -5.286 1.00 0.08 N ATOM 523 CA GLN A 32 -0.817 -4.771 -6.194 1.00 0.09 C ATOM 524 C GLN A 32 -0.938 -6.270 -5.926 1.00 0.11 C ATOM 525 O GLN A 32 -2.009 -6.763 -5.570 1.00 0.19 O ATOM 526 CB GLN A 32 -0.361 -4.535 -7.633 1.00 0.11 C ATOM 527 CG GLN A 32 -1.498 -4.395 -8.622 1.00 0.15 C ATOM 528 CD GLN A 32 -1.007 -4.157 -10.037 1.00 0.29 C ATOM 529 OE1 GLN A 32 0.046 -3.556 -10.247 1.00 0.82 O ATOM 530 NE2 GLN A 32 -1.767 -4.630 -11.015 1.00 1.04 N ATOM 0 H GLN A 32 0.974 -3.797 -5.744 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.797 -4.322 -6.035 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.250 -3.633 -7.667 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.276 -5.363 -7.942 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.109 -5.297 -8.599 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.140 -3.568 -8.319 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -2.633 -5.123 -10.795 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -1.486 -4.501 -11.987 1.00 1.04 H new ATOM 539 N SER A 33 0.169 -6.990 -6.098 1.00 0.09 N ATOM 540 CA SER A 33 0.190 -8.435 -5.886 1.00 0.11 C ATOM 541 C SER A 33 -0.140 -8.791 -4.437 1.00 0.10 C ATOM 542 O SER A 33 -0.681 -9.863 -4.163 1.00 0.15 O ATOM 543 CB SER A 33 1.558 -9.005 -6.264 1.00 0.13 C ATOM 544 OG SER A 33 1.860 -8.749 -7.625 1.00 1.19 O ATOM 0 H SER A 33 1.065 -6.595 -6.384 1.00 0.09 H new ATOM 0 HA SER A 33 -0.574 -8.876 -6.526 1.00 0.11 H new ATOM 0 HB2 SER A 33 2.327 -8.565 -5.629 1.00 0.13 H new ATOM 0 HB3 SER A 33 1.571 -10.080 -6.082 1.00 0.13 H new ATOM 0 HG SER A 33 2.740 -9.122 -7.841 1.00 1.19 H new ATOM 550 N LEU A 34 0.192 -7.893 -3.514 1.00 0.10 N ATOM 551 CA LEU A 34 -0.076 -8.118 -2.096 1.00 0.11 C ATOM 552 C LEU A 34 -1.575 -8.225 -1.853 1.00 0.13 C ATOM 553 O LEU A 34 -2.041 -9.085 -1.104 1.00 0.18 O ATOM 554 CB LEU A 34 0.496 -6.971 -1.257 1.00 0.10 C ATOM 555 CG LEU A 34 1.078 -7.368 0.104 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.629 -6.144 0.818 1.00 0.16 C ATOM 557 CD2 LEU A 34 0.028 -8.055 0.965 1.00 0.17 C ATOM 0 H LEU A 34 0.646 -7.004 -3.722 1.00 0.10 H new ATOM 0 HA LEU A 34 0.404 -9.051 -1.801 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.277 -6.477 -1.835 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.293 -6.237 -1.094 1.00 0.10 H new ATOM 0 HG LEU A 34 1.892 -8.073 -0.066 1.00 0.13 H new ATOM 0 HD11 LEU A 34 2.039 -6.440 1.783 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.415 -5.693 0.213 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.828 -5.421 0.971 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.466 -8.327 1.925 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.810 -7.377 1.127 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.325 -8.954 0.460 1.00 0.17 H new ATOM 569 N LYS A 35 -2.322 -7.339 -2.498 1.00 0.15 N ATOM 570 CA LYS A 35 -3.771 -7.303 -2.360 1.00 0.19 C ATOM 571 C LYS A 35 -4.434 -8.430 -3.147 1.00 0.22 C ATOM 572 O LYS A 35 -5.421 -9.013 -2.696 1.00 0.31 O ATOM 573 CB LYS A 35 -4.290 -5.943 -2.826 1.00 0.23 C ATOM 574 CG LYS A 35 -5.799 -5.791 -2.743 1.00 0.23 C ATOM 575 CD LYS A 35 -6.287 -5.941 -1.313 1.00 0.24 C ATOM 576 CE LYS A 35 -7.547 -5.135 -1.065 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.220 -5.538 0.200 1.00 0.46 N ATOM 0 H LYS A 35 -1.944 -6.630 -3.127 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.025 -7.448 -1.310 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.824 -5.163 -2.224 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -3.976 -5.781 -3.857 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.091 -4.814 -3.129 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.278 -6.540 -3.374 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.480 -6.993 -1.102 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.506 -5.617 -0.626 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.298 -4.075 -1.023 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -8.234 -5.268 -1.901 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.230 -5.294 0.149 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.118 -6.564 0.336 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -7.783 -5.038 1.000 1.00 0.46 H new ATOM 591 N ASP A 36 -3.890 -8.734 -4.321 1.00 0.23 N ATOM 592 CA ASP A 36 -4.432 -9.798 -5.160 1.00 0.28 C ATOM 593 C ASP A 36 -4.069 -11.168 -4.598 1.00 0.25 C ATOM 594 O ASP A 36 -4.702 -12.172 -4.925 1.00 0.33 O ATOM 595 CB ASP A 36 -3.910 -9.668 -6.593 1.00 0.34 C ATOM 596 CG ASP A 36 -4.512 -8.485 -7.325 1.00 1.07 C ATOM 597 OD1 ASP A 36 -5.590 -8.650 -7.935 1.00 0.96 O ATOM 598 OD2 ASP A 36 -3.905 -7.394 -7.290 1.00 2.07 O ATOM 0 H ASP A 36 -3.076 -8.260 -4.713 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.518 -9.701 -5.168 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -2.825 -9.565 -6.573 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -4.133 -10.583 -7.142 1.00 0.34 H new ATOM 603 N ASP A 37 -3.046 -11.200 -3.751 1.00 0.20 N ATOM 604 CA ASP A 37 -2.594 -12.443 -3.137 1.00 0.22 C ATOM 605 C ASP A 37 -1.893 -12.164 -1.809 1.00 0.18 C ATOM 606 O ASP A 37 -0.663 -12.114 -1.748 1.00 0.16 O ATOM 607 CB ASP A 37 -1.646 -13.190 -4.077 1.00 0.27 C ATOM 608 CG ASP A 37 -1.436 -14.632 -3.656 1.00 0.76 C ATOM 609 OD1 ASP A 37 -0.802 -14.855 -2.604 1.00 1.29 O ATOM 610 OD2 ASP A 37 -1.908 -15.536 -4.376 1.00 0.91 O ATOM 0 H ASP A 37 -2.513 -10.376 -3.473 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.469 -13.065 -2.948 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -2.048 -13.164 -5.090 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.684 -12.677 -4.102 1.00 0.27 H new ATOM 615 N PRO A 38 -2.667 -11.974 -0.726 1.00 0.21 N ATOM 616 CA PRO A 38 -2.114 -11.694 0.605 1.00 0.21 C ATOM 617 C PRO A 38 -1.237 -12.829 1.127 1.00 0.21 C ATOM 618 O PRO A 38 -0.520 -12.665 2.114 1.00 0.23 O ATOM 619 CB PRO A 38 -3.353 -11.529 1.489 1.00 0.27 C ATOM 620 CG PRO A 38 -4.454 -12.202 0.746 1.00 0.30 C ATOM 621 CD PRO A 38 -4.139 -12.012 -0.709 1.00 0.26 C ATOM 0 HA PRO A 38 -1.466 -10.818 0.591 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.202 -11.985 2.468 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.578 -10.476 1.659 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.507 -13.261 1.000 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.420 -11.765 0.998 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.529 -12.829 -1.317 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.571 -11.090 -1.099 1.00 0.26 H new ATOM 629 N SER A 39 -1.302 -13.980 0.465 1.00 0.21 N ATOM 630 CA SER A 39 -0.505 -15.135 0.865 1.00 0.23 C ATOM 631 C SER A 39 0.970 -14.907 0.549 1.00 0.21 C ATOM 632 O SER A 39 1.851 -15.465 1.205 1.00 0.24 O ATOM 633 CB SER A 39 -1.005 -16.399 0.160 1.00 0.26 C ATOM 634 OG SER A 39 -2.363 -16.654 0.472 1.00 1.37 O ATOM 0 H SER A 39 -1.897 -14.138 -0.349 1.00 0.21 H new ATOM 0 HA SER A 39 -0.613 -15.267 1.942 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.891 -16.287 -0.918 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.394 -17.251 0.458 1.00 0.26 H new ATOM 0 HG SER A 39 -2.658 -17.465 0.008 1.00 1.37 H new ATOM 640 N GLN A 40 1.230 -14.084 -0.463 1.00 0.19 N ATOM 641 CA GLN A 40 2.596 -13.768 -0.873 1.00 0.18 C ATOM 642 C GLN A 40 3.118 -12.541 -0.135 1.00 0.16 C ATOM 643 O GLN A 40 4.228 -12.080 -0.392 1.00 0.16 O ATOM 644 CB GLN A 40 2.669 -13.534 -2.384 1.00 0.21 C ATOM 645 CG GLN A 40 2.320 -14.759 -3.212 1.00 0.27 C ATOM 646 CD GLN A 40 3.156 -15.971 -2.848 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.233 -16.187 -3.404 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.659 -16.774 -1.914 1.00 0.69 N ATOM 0 H GLN A 40 0.509 -13.622 -1.017 1.00 0.19 H new ATOM 0 HA GLN A 40 3.223 -14.622 -0.617 1.00 0.18 H new ATOM 0 HB2 GLN A 40 1.992 -12.722 -2.650 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.676 -13.207 -2.643 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.265 -14.996 -3.075 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.460 -14.530 -4.268 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.762 -16.557 -1.479 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.174 -17.608 -1.632 1.00 0.69 H new ATOM 657 N SER A 41 2.299 -12.006 0.764 1.00 0.17 N ATOM 658 CA SER A 41 2.657 -10.819 1.540 1.00 0.20 C ATOM 659 C SER A 41 4.090 -10.889 2.057 1.00 0.20 C ATOM 660 O SER A 41 4.753 -9.864 2.199 1.00 0.25 O ATOM 661 CB SER A 41 1.700 -10.649 2.718 1.00 0.23 C ATOM 662 OG SER A 41 1.659 -11.820 3.515 1.00 1.10 O ATOM 0 H SER A 41 1.373 -12.378 0.976 1.00 0.17 H new ATOM 0 HA SER A 41 2.578 -9.961 0.873 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.015 -9.802 3.327 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.700 -10.422 2.348 1.00 0.23 H new ATOM 0 HG SER A 41 0.910 -12.384 3.230 1.00 1.10 H new ATOM 668 N ALA A 42 4.559 -12.097 2.344 1.00 0.18 N ATOM 669 CA ALA A 42 5.915 -12.291 2.846 1.00 0.20 C ATOM 670 C ALA A 42 6.921 -12.362 1.705 1.00 0.17 C ATOM 671 O ALA A 42 8.059 -11.914 1.841 1.00 0.18 O ATOM 672 CB ALA A 42 5.982 -13.548 3.695 1.00 0.24 C ATOM 0 H ALA A 42 4.021 -12.957 2.238 1.00 0.18 H new ATOM 0 HA ALA A 42 6.175 -11.432 3.465 1.00 0.20 H new ATOM 0 HB1 ALA A 42 6.998 -13.684 4.065 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.298 -13.454 4.539 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.697 -14.410 3.092 1.00 0.24 H new ATOM 678 N ASN A 43 6.496 -12.925 0.579 1.00 0.16 N ATOM 679 CA ASN A 43 7.364 -13.044 -0.587 1.00 0.16 C ATOM 680 C ASN A 43 7.595 -11.680 -1.223 1.00 0.13 C ATOM 681 O ASN A 43 8.735 -11.245 -1.385 1.00 0.14 O ATOM 682 CB ASN A 43 6.754 -14.002 -1.612 1.00 0.18 C ATOM 683 CG ASN A 43 6.763 -15.441 -1.135 1.00 0.21 C ATOM 684 OD1 ASN A 43 7.700 -16.192 -1.403 1.00 0.59 O ATOM 685 ND2 ASN A 43 5.716 -15.832 -0.418 1.00 0.71 N ATOM 0 H ASN A 43 5.558 -13.305 0.449 1.00 0.16 H new ATOM 0 HA ASN A 43 8.323 -13.444 -0.259 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.729 -13.699 -1.824 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.308 -13.929 -2.548 1.00 0.18 H new ATOM 0 HD21 ASN A 43 5.667 -16.788 -0.066 1.00 0.71 H new ATOM 0 HD22 ASN A 43 4.961 -15.176 -0.219 1.00 0.71 H new ATOM 692 N LEU A 44 6.505 -11.015 -1.585 1.00 0.13 N ATOM 693 CA LEU A 44 6.573 -9.695 -2.197 1.00 0.12 C ATOM 694 C LEU A 44 7.358 -8.732 -1.311 1.00 0.11 C ATOM 695 O LEU A 44 8.076 -7.865 -1.805 1.00 0.12 O ATOM 696 CB LEU A 44 5.161 -9.166 -2.443 1.00 0.12 C ATOM 697 CG LEU A 44 4.267 -10.101 -3.258 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.804 -9.735 -3.078 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.652 -10.056 -4.729 1.00 0.23 C ATOM 0 H LEU A 44 5.557 -11.372 -1.464 1.00 0.13 H new ATOM 0 HA LEU A 44 7.092 -9.776 -3.152 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.685 -8.976 -1.481 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.230 -8.208 -2.959 1.00 0.12 H new ATOM 0 HG LEU A 44 4.412 -11.118 -2.894 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.185 -10.412 -3.666 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.535 -9.819 -2.025 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.641 -8.711 -3.413 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.006 -10.727 -5.295 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.537 -9.039 -5.104 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.690 -10.369 -4.843 1.00 0.23 H new ATOM 711 N LEU A 45 7.209 -8.892 0.002 1.00 0.12 N ATOM 712 CA LEU A 45 7.921 -8.053 0.960 1.00 0.13 C ATOM 713 C LEU A 45 9.421 -8.237 0.781 1.00 0.13 C ATOM 714 O LEU A 45 10.172 -7.270 0.665 1.00 0.15 O ATOM 715 CB LEU A 45 7.528 -8.433 2.390 1.00 0.15 C ATOM 716 CG LEU A 45 7.384 -7.273 3.384 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.294 -7.810 4.803 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.541 -6.292 3.267 1.00 0.14 C ATOM 0 H LEU A 45 6.602 -9.594 0.425 1.00 0.12 H new ATOM 0 HA LEU A 45 7.655 -7.011 0.784 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.581 -8.972 2.353 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.275 -9.126 2.778 1.00 0.15 H new ATOM 0 HG LEU A 45 6.466 -6.737 3.143 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.192 -6.979 5.501 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.427 -8.465 4.890 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.198 -8.372 5.037 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.406 -5.483 3.985 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.478 -6.809 3.473 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.568 -5.880 2.258 1.00 0.14 H new ATOM 730 N ALA A 46 9.840 -9.498 0.757 1.00 0.14 N ATOM 731 CA ALA A 46 11.244 -9.844 0.589 1.00 0.15 C ATOM 732 C ALA A 46 11.772 -9.354 -0.753 1.00 0.15 C ATOM 733 O ALA A 46 12.913 -8.904 -0.856 1.00 0.20 O ATOM 734 CB ALA A 46 11.421 -11.350 0.706 1.00 0.16 C ATOM 0 H ALA A 46 9.220 -10.302 0.853 1.00 0.14 H new ATOM 0 HA ALA A 46 11.816 -9.352 1.375 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.474 -11.604 0.579 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.084 -11.681 1.688 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.833 -11.847 -0.066 1.00 0.16 H new ATOM 740 N GLU A 47 10.933 -9.449 -1.777 1.00 0.13 N ATOM 741 CA GLU A 47 11.306 -9.016 -3.117 1.00 0.15 C ATOM 742 C GLU A 47 11.456 -7.502 -3.171 1.00 0.13 C ATOM 743 O GLU A 47 12.268 -6.974 -3.932 1.00 0.17 O ATOM 744 CB GLU A 47 10.255 -9.473 -4.127 1.00 0.18 C ATOM 745 CG GLU A 47 10.219 -10.979 -4.329 1.00 0.28 C ATOM 746 CD GLU A 47 9.121 -11.415 -5.278 1.00 1.24 C ATOM 747 OE1 GLU A 47 7.975 -11.598 -4.815 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.405 -11.571 -6.485 1.00 1.09 O ATOM 0 H GLU A 47 9.987 -9.823 -1.704 1.00 0.13 H new ATOM 0 HA GLU A 47 12.265 -9.468 -3.370 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.273 -9.136 -3.795 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.450 -8.991 -5.085 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.182 -11.313 -4.716 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.076 -11.468 -3.365 1.00 0.28 H new ATOM 755 N ALA A 48 10.666 -6.810 -2.357 1.00 0.10 N ATOM 756 CA ALA A 48 10.714 -5.355 -2.304 1.00 0.10 C ATOM 757 C ALA A 48 11.950 -4.895 -1.548 1.00 0.11 C ATOM 758 O ALA A 48 12.581 -3.904 -1.912 1.00 0.12 O ATOM 759 CB ALA A 48 9.453 -4.804 -1.660 1.00 0.11 C ATOM 0 H ALA A 48 9.986 -7.234 -1.726 1.00 0.10 H new ATOM 0 HA ALA A 48 10.771 -4.971 -3.323 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.506 -3.716 -1.629 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.584 -5.108 -2.243 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.363 -5.192 -0.645 1.00 0.11 H new ATOM 765 N LYS A 49 12.282 -5.618 -0.482 1.00 0.12 N ATOM 766 CA LYS A 49 13.457 -5.305 0.316 1.00 0.14 C ATOM 767 C LYS A 49 14.715 -5.564 -0.500 1.00 0.14 C ATOM 768 O LYS A 49 15.691 -4.817 -0.421 1.00 0.17 O ATOM 769 CB LYS A 49 13.467 -6.150 1.589 1.00 0.14 C ATOM 770 CG LYS A 49 12.307 -5.845 2.521 1.00 0.14 C ATOM 771 CD LYS A 49 12.374 -6.679 3.790 1.00 0.16 C ATOM 772 CE LYS A 49 11.894 -8.099 3.550 1.00 0.16 C ATOM 773 NZ LYS A 49 11.894 -8.907 4.801 1.00 0.21 N ATOM 0 H LYS A 49 11.752 -6.425 -0.153 1.00 0.12 H new ATOM 0 HA LYS A 49 13.429 -4.253 0.598 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.438 -7.205 1.317 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.404 -5.984 2.120 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.316 -4.786 2.780 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.366 -6.039 2.007 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.399 -6.698 4.160 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.764 -6.214 4.565 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.887 -8.076 3.134 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.534 -8.578 2.809 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.560 -9.869 4.593 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.859 -8.951 5.186 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.263 -8.465 5.500 1.00 0.21 H new ATOM 787 N LYS A 50 14.676 -6.636 -1.284 1.00 0.13 N ATOM 788 CA LYS A 50 15.791 -7.005 -2.143 1.00 0.16 C ATOM 789 C LYS A 50 15.973 -5.958 -3.233 1.00 0.16 C ATOM 790 O LYS A 50 17.090 -5.657 -3.650 1.00 0.22 O ATOM 791 CB LYS A 50 15.534 -8.374 -2.776 1.00 0.17 C ATOM 792 CG LYS A 50 16.554 -8.758 -3.839 1.00 0.52 C ATOM 793 CD LYS A 50 16.207 -10.083 -4.501 1.00 0.51 C ATOM 794 CE LYS A 50 16.315 -11.245 -3.524 1.00 1.36 C ATOM 795 NZ LYS A 50 17.660 -11.314 -2.890 1.00 2.10 N ATOM 0 H LYS A 50 13.877 -7.268 -1.341 1.00 0.13 H new ATOM 0 HA LYS A 50 16.699 -7.057 -1.542 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.535 -9.132 -1.993 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.539 -8.377 -3.222 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.603 -7.975 -4.596 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.543 -8.826 -3.386 1.00 0.52 H new ATOM 0 HD2 LYS A 50 15.194 -10.036 -4.900 1.00 0.51 H new ATOM 0 HD3 LYS A 50 16.875 -10.254 -5.345 1.00 0.51 H new ATOM 0 HE2 LYS A 50 15.554 -11.141 -2.751 1.00 1.36 H new ATOM 0 HE3 LYS A 50 16.112 -12.179 -4.047 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 17.796 -12.254 -2.466 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 18.392 -11.150 -3.610 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.733 -10.587 -2.150 1.00 2.10 H new ATOM 809 N LEU A 51 14.851 -5.409 -3.684 1.00 0.14 N ATOM 810 CA LEU A 51 14.848 -4.394 -4.726 1.00 0.15 C ATOM 811 C LEU A 51 15.307 -3.053 -4.170 1.00 0.15 C ATOM 812 O LEU A 51 16.010 -2.297 -4.841 1.00 0.18 O ATOM 813 CB LEU A 51 13.442 -4.272 -5.311 1.00 0.15 C ATOM 814 CG LEU A 51 13.311 -3.392 -6.556 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.361 -3.759 -7.599 1.00 0.23 C ATOM 816 CD2 LEU A 51 11.913 -3.526 -7.138 1.00 0.18 C ATOM 0 H LEU A 51 13.923 -5.655 -3.339 1.00 0.14 H new ATOM 0 HA LEU A 51 15.542 -4.690 -5.512 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.084 -5.272 -5.557 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.781 -3.877 -4.539 1.00 0.15 H new ATOM 0 HG LEU A 51 13.478 -2.355 -6.265 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.245 -3.118 -8.473 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.357 -3.621 -7.177 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.233 -4.801 -7.893 1.00 0.23 H new ATOM 0 HD21 LEU A 51 11.826 -2.897 -8.024 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.731 -4.565 -7.411 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.179 -3.212 -6.396 1.00 0.18 H new ATOM 828 N ASN A 52 14.900 -2.769 -2.939 1.00 0.15 N ATOM 829 CA ASN A 52 15.273 -1.527 -2.276 1.00 0.18 C ATOM 830 C ASN A 52 16.771 -1.518 -2.010 1.00 0.17 C ATOM 831 O ASN A 52 17.402 -0.464 -1.950 1.00 0.17 O ATOM 832 CB ASN A 52 14.501 -1.372 -0.963 1.00 0.26 C ATOM 833 CG ASN A 52 14.825 -0.076 -0.244 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.199 0.954 -0.487 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.802 -0.123 0.655 1.00 0.21 N ATOM 0 H ASN A 52 14.310 -3.384 -2.379 1.00 0.15 H new ATOM 0 HA ASN A 52 15.021 -0.688 -2.925 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.431 -1.411 -1.168 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.731 -2.213 -0.309 1.00 0.26 H new ATOM 0 HD21 ASN A 52 16.058 0.717 1.174 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.296 -0.999 0.826 1.00 0.21 H new ATOM 842 N ASP A 53 17.331 -2.713 -1.852 1.00 0.18 N ATOM 843 CA ASP A 53 18.756 -2.864 -1.604 1.00 0.20 C ATOM 844 C ASP A 53 19.527 -2.823 -2.919 1.00 0.22 C ATOM 845 O ASP A 53 20.730 -2.567 -2.940 1.00 0.25 O ATOM 846 CB ASP A 53 19.031 -4.183 -0.876 1.00 0.23 C ATOM 847 CG ASP A 53 20.504 -4.385 -0.581 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.211 -4.940 -1.447 1.00 0.34 O ATOM 849 OD2 ASP A 53 20.950 -3.985 0.514 1.00 0.34 O ATOM 0 H ASP A 53 16.816 -3.592 -1.892 1.00 0.18 H new ATOM 0 HA ASP A 53 19.089 -2.039 -0.974 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.470 -4.203 0.058 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.668 -5.012 -1.483 1.00 0.23 H new ATOM 854 N ALA A 54 18.815 -3.074 -4.015 1.00 0.22 N ATOM 855 CA ALA A 54 19.419 -3.066 -5.343 1.00 0.26 C ATOM 856 C ALA A 54 19.614 -1.641 -5.840 1.00 0.28 C ATOM 857 O ALA A 54 20.536 -1.358 -6.606 1.00 0.32 O ATOM 858 CB ALA A 54 18.555 -3.849 -6.319 1.00 0.27 C ATOM 0 H ALA A 54 17.817 -3.286 -4.008 1.00 0.22 H new ATOM 0 HA ALA A 54 20.397 -3.542 -5.276 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.017 -3.835 -7.306 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.462 -4.880 -5.976 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.566 -3.394 -6.375 1.00 0.27 H new ATOM 864 N GLN A 55 18.737 -0.746 -5.397 1.00 0.27 N ATOM 865 CA GLN A 55 18.804 0.654 -5.791 1.00 0.31 C ATOM 866 C GLN A 55 19.442 1.498 -4.693 1.00 0.33 C ATOM 867 O GLN A 55 19.495 2.723 -4.789 1.00 0.41 O ATOM 868 CB GLN A 55 17.401 1.177 -6.109 1.00 0.32 C ATOM 869 CG GLN A 55 16.629 0.291 -7.075 1.00 0.32 C ATOM 870 CD GLN A 55 15.276 0.865 -7.447 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.803 0.690 -8.570 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.638 1.547 -6.502 1.00 0.29 N ATOM 0 H GLN A 55 17.970 -0.968 -4.763 1.00 0.27 H new ATOM 0 HA GLN A 55 19.425 0.730 -6.684 1.00 0.31 H new ATOM 0 HB2 GLN A 55 16.836 1.268 -5.181 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.482 2.178 -6.532 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.219 0.148 -7.980 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.490 -0.693 -6.627 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.066 1.669 -5.584 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.720 1.949 -6.694 1.00 0.29 H new ATOM 881 N ALA A 56 19.921 0.831 -3.647 1.00 0.28 N ATOM 882 CA ALA A 56 20.559 1.514 -2.529 1.00 0.31 C ATOM 883 C ALA A 56 21.837 2.222 -2.977 1.00 0.39 C ATOM 884 O ALA A 56 22.601 1.683 -3.779 1.00 0.44 O ATOM 885 CB ALA A 56 20.865 0.525 -1.414 1.00 0.29 C ATOM 0 H ALA A 56 19.879 -0.184 -3.551 1.00 0.28 H new ATOM 0 HA ALA A 56 19.869 2.269 -2.152 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.341 1.048 -0.585 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.938 0.067 -1.070 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.535 -0.249 -1.788 1.00 0.29 H new ATOM 891 N PRO A 57 22.091 3.443 -2.464 1.00 0.45 N ATOM 892 CA PRO A 57 23.284 4.214 -2.823 1.00 0.54 C ATOM 893 C PRO A 57 24.556 3.607 -2.244 1.00 0.63 C ATOM 894 O PRO A 57 24.559 2.467 -1.780 1.00 0.83 O ATOM 895 CB PRO A 57 23.037 5.600 -2.215 1.00 0.68 C ATOM 896 CG PRO A 57 21.616 5.601 -1.756 1.00 0.61 C ATOM 897 CD PRO A 57 21.251 4.168 -1.502 1.00 0.47 C ATOM 0 HA PRO A 57 23.433 4.236 -3.903 1.00 0.54 H new ATOM 0 HB2 PRO A 57 23.716 5.788 -1.383 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.210 6.385 -2.951 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.501 6.197 -0.851 1.00 0.61 H new ATOM 0 HG3 PRO A 57 20.964 6.040 -2.512 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.465 3.872 -0.475 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.190 3.984 -1.672 1.00 0.47 H new ATOM 905 N LYS A 58 25.635 4.382 -2.270 1.00 0.75 N ATOM 906 CA LYS A 58 26.918 3.927 -1.752 1.00 0.91 C ATOM 907 C LYS A 58 26.899 3.848 -0.226 1.00 1.37 C ATOM 908 O LYS A 58 27.156 4.881 0.429 1.00 1.85 O ATOM 909 CB LYS A 58 28.039 4.856 -2.230 1.00 1.12 C ATOM 910 CG LYS A 58 27.765 6.333 -1.981 1.00 2.01 C ATOM 911 CD LYS A 58 28.806 7.216 -2.652 1.00 2.90 C ATOM 912 CE LYS A 58 30.187 7.019 -2.047 1.00 3.59 C ATOM 913 NZ LYS A 58 31.211 7.867 -2.716 1.00 4.27 N ATOM 914 OXT LYS A 58 26.624 2.751 0.304 1.00 2.03 O ATOM 0 H LYS A 58 25.645 5.330 -2.645 1.00 0.75 H new ATOM 0 HA LYS A 58 27.105 2.924 -2.135 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.966 4.579 -1.728 1.00 1.12 H new ATOM 0 HB3 LYS A 58 28.196 4.701 -3.297 1.00 1.12 H new ATOM 0 HG2 LYS A 58 26.774 6.588 -2.356 1.00 2.01 H new ATOM 0 HG3 LYS A 58 27.759 6.527 -0.908 1.00 2.01 H new ATOM 0 HD2 LYS A 58 28.841 6.991 -3.718 1.00 2.90 H new ATOM 0 HD3 LYS A 58 28.513 8.261 -2.556 1.00 2.90 H new ATOM 0 HE2 LYS A 58 30.155 7.258 -0.984 1.00 3.59 H new ATOM 0 HE3 LYS A 58 30.473 5.971 -2.129 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 32.139 7.704 -2.275 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 31.259 7.621 -3.725 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 30.951 8.869 -2.616 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 12.385 8.365 1.037 1.00 3.48 N ATOM 930 CA VAL B 101 12.378 9.503 1.993 1.00 2.61 C ATOM 931 C VAL B 101 11.283 9.328 3.040 1.00 2.18 C ATOM 932 O VAL B 101 10.099 9.263 2.709 1.00 2.41 O ATOM 933 CB VAL B 101 12.163 10.843 1.264 1.00 2.67 C ATOM 934 CG1 VAL B 101 12.375 12.012 2.214 1.00 2.50 C ATOM 935 CG2 VAL B 101 13.087 10.951 0.060 1.00 3.29 C ATOM 0 HA VAL B 101 13.351 9.515 2.484 1.00 2.61 H new ATOM 0 HB VAL B 101 11.133 10.878 0.908 1.00 2.67 H new ATOM 0 HG11 VAL B 101 12.218 12.949 1.679 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.667 11.943 3.040 1.00 2.50 H new ATOM 0 HG13 VAL B 101 13.392 11.983 2.605 1.00 2.50 H new ATOM 0 HG21 VAL B 101 12.921 11.904 -0.442 1.00 3.29 H new ATOM 0 HG22 VAL B 101 14.124 10.891 0.391 1.00 3.29 H new ATOM 0 HG23 VAL B 101 12.879 10.135 -0.632 1.00 3.29 H new ATOM 947 N ASP B 102 11.685 9.254 4.305 1.00 1.82 N ATOM 948 CA ASP B 102 10.735 9.084 5.400 1.00 1.99 C ATOM 949 C ASP B 102 10.089 10.414 5.773 1.00 1.57 C ATOM 950 O ASP B 102 9.042 10.447 6.420 1.00 1.98 O ATOM 951 CB ASP B 102 11.436 8.484 6.621 1.00 2.35 C ATOM 952 CG ASP B 102 10.476 8.209 7.763 1.00 3.09 C ATOM 953 OD1 ASP B 102 10.277 9.113 8.602 1.00 3.65 O ATOM 954 OD2 ASP B 102 9.922 7.091 7.816 1.00 3.25 O ATOM 0 H ASP B 102 12.661 9.309 4.597 1.00 1.82 H new ATOM 0 HA ASP B 102 9.952 8.403 5.066 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.929 7.556 6.333 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.215 9.167 6.961 1.00 2.35 H new ATOM 959 N ASN B 103 10.720 11.510 5.357 1.00 1.11 N ATOM 960 CA ASN B 103 10.208 12.845 5.651 1.00 1.29 C ATOM 961 C ASN B 103 8.854 13.074 4.987 1.00 1.11 C ATOM 962 O ASN B 103 8.138 14.017 5.329 1.00 1.40 O ATOM 963 CB ASN B 103 11.202 13.910 5.185 1.00 1.77 C ATOM 964 CG ASN B 103 12.522 13.837 5.927 1.00 2.19 C ATOM 965 OD1 ASN B 103 12.705 14.484 6.958 1.00 2.84 O ATOM 966 ND2 ASN B 103 13.454 13.048 5.402 1.00 2.04 N ATOM 0 H ASN B 103 11.585 11.499 4.816 1.00 1.11 H new ATOM 0 HA ASN B 103 10.078 12.923 6.730 1.00 1.29 H new ATOM 0 HB2 ASN B 103 11.382 13.791 4.117 1.00 1.77 H new ATOM 0 HB3 ASN B 103 10.764 14.898 5.326 1.00 1.77 H new ATOM 0 HD21 ASN B 103 14.363 12.961 5.856 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.260 12.529 4.545 1.00 2.04 H new ATOM 973 N LYS B 104 8.505 12.212 4.035 1.00 0.91 N ATOM 974 CA LYS B 104 7.234 12.331 3.330 1.00 0.83 C ATOM 975 C LYS B 104 6.066 11.978 4.247 1.00 0.58 C ATOM 976 O LYS B 104 5.334 12.860 4.697 1.00 0.72 O ATOM 977 CB LYS B 104 7.217 11.432 2.092 1.00 0.98 C ATOM 978 CG LYS B 104 8.253 11.814 1.044 1.00 1.29 C ATOM 979 CD LYS B 104 7.954 11.166 -0.300 1.00 1.55 C ATOM 980 CE LYS B 104 8.149 9.660 -0.253 1.00 1.61 C ATOM 981 NZ LYS B 104 9.584 9.290 -0.108 1.00 2.12 N ATOM 0 H LYS B 104 9.083 11.427 3.736 1.00 0.91 H new ATOM 0 HA LYS B 104 7.124 13.368 3.013 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.388 10.401 2.400 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.226 11.469 1.640 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.274 12.898 0.930 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.244 11.510 1.383 1.00 1.29 H new ATOM 0 HD2 LYS B 104 6.928 11.391 -0.593 1.00 1.55 H new ATOM 0 HD3 LYS B 104 8.604 11.594 -1.063 1.00 1.55 H new ATOM 0 HE2 LYS B 104 7.581 9.246 0.581 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.749 9.214 -1.164 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 9.744 8.350 -0.522 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 10.175 9.990 -0.601 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 9.838 9.272 0.900 1.00 2.12 H new ATOM 995 N PHE B 105 5.899 10.688 4.520 1.00 0.46 N ATOM 996 CA PHE B 105 4.818 10.226 5.385 1.00 0.37 C ATOM 997 C PHE B 105 5.339 9.884 6.778 1.00 0.57 C ATOM 998 O PHE B 105 6.524 9.608 6.958 1.00 1.14 O ATOM 999 CB PHE B 105 4.123 9.008 4.770 1.00 0.49 C ATOM 1000 CG PHE B 105 5.038 7.848 4.507 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.726 7.749 3.310 1.00 0.86 C ATOM 1002 CD2 PHE B 105 5.202 6.851 5.456 1.00 0.98 C ATOM 1003 CE1 PHE B 105 6.564 6.679 3.063 1.00 1.10 C ATOM 1004 CE2 PHE B 105 6.038 5.777 5.214 1.00 1.19 C ATOM 1005 CZ PHE B 105 6.720 5.692 4.017 1.00 1.19 C ATOM 0 H PHE B 105 6.496 9.945 4.156 1.00 0.46 H new ATOM 0 HA PHE B 105 4.094 11.036 5.479 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.325 8.683 5.437 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.653 9.306 3.833 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.606 8.517 2.560 1.00 0.86 H new ATOM 0 HD2 PHE B 105 4.671 6.914 6.394 1.00 0.98 H new ATOM 0 HE1 PHE B 105 7.096 6.614 2.126 1.00 1.10 H new ATOM 0 HE2 PHE B 105 6.157 5.006 5.960 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.375 4.855 3.826 1.00 1.19 H new ATOM 1015 N ASN B 106 4.441 9.904 7.758 1.00 0.51 N ATOM 1016 CA ASN B 106 4.806 9.602 9.138 1.00 0.67 C ATOM 1017 C ASN B 106 3.778 8.671 9.774 1.00 0.67 C ATOM 1018 O ASN B 106 4.055 7.497 10.015 1.00 0.82 O ATOM 1019 CB ASN B 106 4.913 10.892 9.955 1.00 0.81 C ATOM 1020 CG ASN B 106 5.008 12.126 9.077 1.00 0.84 C ATOM 1021 OD1 ASN B 106 6.101 12.574 8.733 1.00 1.17 O ATOM 1022 ND2 ASN B 106 3.858 12.679 8.712 1.00 0.78 N ATOM 0 H ASN B 106 3.455 10.126 7.622 1.00 0.51 H new ATOM 0 HA ASN B 106 5.775 9.103 9.133 1.00 0.67 H new ATOM 0 HB2 ASN B 106 4.044 10.979 10.607 1.00 0.81 H new ATOM 0 HB3 ASN B 106 5.791 10.839 10.599 1.00 0.81 H new ATOM 0 HD21 ASN B 106 3.857 13.511 8.122 1.00 0.78 H new ATOM 0 HD22 ASN B 106 2.975 12.272 9.022 1.00 0.78 H new ATOM 1029 N LYS B 107 2.590 9.206 10.041 1.00 0.62 N ATOM 1030 CA LYS B 107 1.518 8.424 10.645 1.00 0.63 C ATOM 1031 C LYS B 107 0.199 8.648 9.915 1.00 0.54 C ATOM 1032 O LYS B 107 -0.341 7.730 9.302 1.00 0.45 O ATOM 1033 CB LYS B 107 1.355 8.790 12.120 1.00 0.79 C ATOM 1034 CG LYS B 107 0.278 7.979 12.824 1.00 0.80 C ATOM 1035 CD LYS B 107 0.052 8.461 14.249 1.00 1.00 C ATOM 1036 CE LYS B 107 -0.582 9.842 14.281 1.00 1.07 C ATOM 1037 NZ LYS B 107 -0.820 10.313 15.673 1.00 1.78 N ATOM 0 H LYS B 107 2.346 10.178 9.848 1.00 0.62 H new ATOM 0 HA LYS B 107 1.788 7.371 10.563 1.00 0.63 H new ATOM 0 HB2 LYS B 107 2.306 8.641 12.632 1.00 0.79 H new ATOM 0 HB3 LYS B 107 1.113 9.850 12.200 1.00 0.79 H new ATOM 0 HG2 LYS B 107 -0.655 8.049 12.264 1.00 0.80 H new ATOM 0 HG3 LYS B 107 0.564 6.927 12.837 1.00 0.80 H new ATOM 0 HD2 LYS B 107 -0.589 7.754 14.775 1.00 1.00 H new ATOM 0 HD3 LYS B 107 1.003 8.485 14.780 1.00 1.00 H new ATOM 0 HE2 LYS B 107 0.065 10.550 13.764 1.00 1.07 H new ATOM 0 HE3 LYS B 107 -1.527 9.820 13.739 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 -1.253 11.258 15.650 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 -1.458 9.651 16.159 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 0.085 10.359 16.183 1.00 1.78 H new ATOM 1051 N GLU B 108 -0.311 9.876 9.994 1.00 0.61 N ATOM 1052 CA GLU B 108 -1.573 10.238 9.349 1.00 0.62 C ATOM 1053 C GLU B 108 -1.671 9.659 7.940 1.00 0.49 C ATOM 1054 O GLU B 108 -2.746 9.248 7.502 1.00 0.53 O ATOM 1055 CB GLU B 108 -1.719 11.759 9.291 1.00 0.74 C ATOM 1056 CG GLU B 108 -1.973 12.397 10.646 1.00 0.87 C ATOM 1057 CD GLU B 108 -2.166 13.898 10.557 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -3.317 14.338 10.353 1.00 1.16 O ATOM 1059 OE2 GLU B 108 -1.166 14.635 10.690 1.00 1.37 O ATOM 0 H GLU B 108 0.133 10.641 10.501 1.00 0.61 H new ATOM 0 HA GLU B 108 -2.381 9.815 9.946 1.00 0.62 H new ATOM 0 HB2 GLU B 108 -0.813 12.187 8.861 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -2.540 12.012 8.620 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -2.858 11.947 11.095 1.00 0.87 H new ATOM 0 HG3 GLU B 108 -1.135 12.181 11.308 1.00 0.87 H new ATOM 1066 N THR B 109 -0.545 9.628 7.238 1.00 0.39 N ATOM 1067 CA THR B 109 -0.506 9.103 5.879 1.00 0.28 C ATOM 1068 C THR B 109 -0.544 7.578 5.876 1.00 0.25 C ATOM 1069 O THR B 109 -1.239 6.968 5.065 1.00 0.27 O ATOM 1070 CB THR B 109 0.752 9.582 5.131 1.00 0.25 C ATOM 1071 OG1 THR B 109 0.706 11.004 4.959 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.874 8.905 3.773 1.00 0.27 C ATOM 0 H THR B 109 0.354 9.960 7.588 1.00 0.39 H new ATOM 0 HA THR B 109 -1.390 9.482 5.365 1.00 0.28 H new ATOM 0 HB THR B 109 1.624 9.314 5.728 1.00 0.25 H new ATOM 0 HG1 THR B 109 1.599 11.380 5.105 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.771 9.262 3.268 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.940 7.826 3.909 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.002 9.142 3.169 1.00 0.27 H new ATOM 1080 N GLN B 110 0.207 6.968 6.788 1.00 0.30 N ATOM 1081 CA GLN B 110 0.259 5.514 6.886 1.00 0.32 C ATOM 1082 C GLN B 110 -1.113 4.936 7.216 1.00 0.30 C ATOM 1083 O GLN B 110 -1.466 3.853 6.752 1.00 0.30 O ATOM 1084 CB GLN B 110 1.280 5.091 7.943 1.00 0.42 C ATOM 1085 CG GLN B 110 2.705 5.487 7.592 1.00 0.48 C ATOM 1086 CD GLN B 110 3.736 4.910 8.545 1.00 0.85 C ATOM 1087 OE1 GLN B 110 4.877 4.656 8.158 1.00 1.34 O ATOM 1088 NE2 GLN B 110 3.344 4.698 9.796 1.00 1.38 N ATOM 0 H GLN B 110 0.787 7.458 7.469 1.00 0.30 H new ATOM 0 HA GLN B 110 0.568 5.120 5.917 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.010 5.539 8.899 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.232 4.010 8.073 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.929 5.154 6.579 1.00 0.48 H new ATOM 0 HG3 GLN B 110 2.785 6.574 7.595 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.389 4.922 10.076 1.00 1.38 H new ATOM 0 HE22 GLN B 110 3.998 4.311 10.477 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.886 5.663 8.019 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.220 5.219 8.395 1.00 0.30 C ATOM 1099 C GLU B 111 -4.128 5.221 7.175 1.00 0.28 C ATOM 1100 O GLU B 111 -4.844 4.255 6.914 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.793 6.130 9.479 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.837 6.359 10.634 1.00 0.38 C ATOM 1103 CD GLU B 111 -2.659 5.128 11.502 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -3.488 4.920 12.413 1.00 1.04 O ATOM 1105 OE2 GLU B 111 -1.692 4.372 11.270 1.00 2.25 O ATOM 0 H GLU B 111 -1.610 6.560 8.420 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.158 4.205 8.789 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -4.054 7.091 9.036 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.716 5.694 9.861 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.867 6.665 10.242 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -3.206 7.181 11.248 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.087 6.322 6.434 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.888 6.464 5.226 1.00 0.17 C ATOM 1114 C ALA B 112 -4.471 5.434 4.183 1.00 0.13 C ATOM 1115 O ALA B 112 -5.286 4.980 3.379 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.747 7.872 4.667 1.00 0.17 C ATOM 0 H ALA B 112 -3.505 7.131 6.650 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.934 6.290 5.480 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.350 7.967 3.764 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.088 8.594 5.409 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.701 8.065 4.427 1.00 0.17 H new ATOM 1122 N SER B 113 -3.191 5.072 4.205 1.00 0.13 N ATOM 1123 CA SER B 113 -2.654 4.088 3.272 1.00 0.11 C ATOM 1124 C SER B 113 -3.234 2.709 3.561 1.00 0.10 C ATOM 1125 O SER B 113 -3.638 1.987 2.650 1.00 0.12 O ATOM 1126 CB SER B 113 -1.128 4.043 3.369 1.00 0.15 C ATOM 1127 OG SER B 113 -0.557 5.302 3.057 1.00 0.92 O ATOM 0 H SER B 113 -2.506 5.447 4.861 1.00 0.13 H new ATOM 0 HA SER B 113 -2.936 4.382 2.261 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.834 3.747 4.376 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.740 3.286 2.688 1.00 0.15 H new ATOM 0 HG SER B 113 -0.698 5.919 3.805 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.277 2.353 4.840 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.806 1.061 5.257 1.00 0.10 C ATOM 1135 C TRP B 114 -5.299 0.960 4.952 1.00 0.12 C ATOM 1136 O TRP B 114 -5.773 -0.070 4.476 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.555 0.846 6.750 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.086 -0.457 7.262 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -5.020 -0.634 8.242 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.715 -1.767 6.818 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.252 -1.974 8.436 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.463 -2.690 7.573 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.823 -2.248 5.856 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.347 -4.066 7.394 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.708 -3.614 5.680 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.467 -4.509 6.445 1.00 0.23 C ATOM 0 H TRP B 114 -2.951 2.942 5.606 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.290 0.282 4.695 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.483 0.893 6.941 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.014 1.661 7.309 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.506 0.163 8.785 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.905 -2.371 9.112 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.234 -1.565 5.261 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.930 -4.758 7.983 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.021 -3.998 4.940 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.355 -5.571 6.282 1.00 0.23 H new ATOM 1157 N GLU B 115 -6.032 2.035 5.228 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.470 2.065 4.979 1.00 0.18 C ATOM 1159 C GLU B 115 -7.772 1.796 3.508 1.00 0.19 C ATOM 1160 O GLU B 115 -8.789 1.188 3.173 1.00 0.33 O ATOM 1161 CB GLU B 115 -8.058 3.417 5.389 1.00 0.22 C ATOM 1162 CG GLU B 115 -7.982 3.693 6.882 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.707 2.647 7.706 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -9.953 2.696 7.764 1.00 1.80 O ATOM 1165 OE2 GLU B 115 -8.028 1.776 8.292 1.00 2.03 O ATOM 0 H GLU B 115 -5.654 2.896 5.624 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.930 1.281 5.580 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.531 4.208 4.856 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -9.101 3.460 5.074 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -6.937 3.731 7.188 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.410 4.674 7.089 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.883 2.257 2.635 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.047 2.066 1.200 1.00 0.12 C ATOM 1174 C ILE B 116 -6.823 0.607 0.810 1.00 0.10 C ATOM 1175 O ILE B 116 -7.467 0.092 -0.104 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.076 2.972 0.413 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.497 4.436 0.562 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.029 2.571 -1.056 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.417 5.425 0.182 1.00 0.11 C ATOM 0 H ILE B 116 -6.040 2.767 2.898 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.071 2.340 0.947 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.073 2.850 0.823 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.376 4.616 -0.057 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.793 4.615 1.595 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.338 3.224 -1.589 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.691 1.538 -1.141 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.024 2.664 -1.490 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.791 6.440 0.314 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.545 5.274 0.818 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.136 5.274 -0.860 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.913 -0.055 1.516 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.599 -1.452 1.240 1.00 0.09 C ATOM 1193 C PHE B 117 -6.641 -2.382 1.859 1.00 0.11 C ATOM 1194 O PHE B 117 -6.821 -3.513 1.408 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.208 -1.795 1.778 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.615 -3.035 1.166 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.976 -4.290 1.629 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.692 -2.945 0.135 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.430 -5.432 1.074 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.140 -4.084 -0.420 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.525 -5.320 0.018 1.00 0.20 C ATOM 0 H PHE B 117 -5.380 0.353 2.284 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.612 -1.595 0.159 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.539 -0.954 1.595 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.267 -1.926 2.858 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.692 -4.377 2.433 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.401 -1.974 -0.238 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.702 -6.405 1.455 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.401 -3.997 -1.203 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.130 -6.208 -0.452 1.00 0.20 H new ATOM 1211 N THR B 118 -7.331 -1.900 2.888 1.00 0.12 N ATOM 1212 CA THR B 118 -8.343 -2.700 3.571 1.00 0.16 C ATOM 1213 C THR B 118 -9.656 -2.745 2.795 1.00 0.18 C ATOM 1214 O THR B 118 -10.623 -3.366 3.239 1.00 0.34 O ATOM 1215 CB THR B 118 -8.615 -2.173 4.990 1.00 0.19 C ATOM 1216 OG1 THR B 118 -8.965 -0.784 4.943 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.395 -2.367 5.877 1.00 0.20 C ATOM 0 H THR B 118 -7.209 -0.961 3.267 1.00 0.12 H new ATOM 0 HA THR B 118 -7.939 -3.711 3.634 1.00 0.16 H new ATOM 0 HB THR B 118 -9.447 -2.738 5.411 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.960 -0.477 4.012 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.608 -1.988 6.876 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.153 -3.428 5.935 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.549 -1.824 5.456 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.690 -2.091 1.640 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.889 -2.074 0.813 1.00 0.14 C ATOM 1227 C LEU B 119 -10.990 -3.375 0.010 1.00 0.15 C ATOM 1228 O LEU B 119 -10.088 -3.704 -0.758 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.864 -0.855 -0.111 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.806 0.491 0.621 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.645 1.633 -0.367 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.051 0.695 1.470 1.00 1.01 C ATOM 0 H LEU B 119 -8.903 -1.567 1.256 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.770 -2.001 1.451 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.001 -0.933 -0.773 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.752 -0.874 -0.742 1.00 0.16 H new ATOM 0 HG LEU B 119 -9.938 0.481 1.280 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.606 2.579 0.173 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.722 1.499 -0.931 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.491 1.642 -1.054 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -11.990 1.656 1.981 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -12.934 0.680 0.831 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.123 -0.104 2.208 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.100 -4.125 0.168 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.287 -5.414 -0.508 1.00 0.26 C ATOM 1246 C PRO B 120 -12.701 -5.284 -1.969 1.00 0.26 C ATOM 1247 O PRO B 120 -12.250 -6.054 -2.817 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.405 -6.063 0.307 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.220 -4.921 0.807 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.273 -3.763 0.990 1.00 0.35 C ATOM 0 HA PRO B 120 -11.359 -5.985 -0.545 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -14.002 -6.737 -0.307 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -13.003 -6.653 1.131 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -15.009 -4.668 0.098 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.707 -5.176 1.748 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.720 -2.826 0.657 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -13.001 -3.632 2.037 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.558 -4.315 -2.264 1.00 0.22 N ATOM 1259 CA ASN B 121 -14.027 -4.112 -3.630 1.00 0.23 C ATOM 1260 C ASN B 121 -12.900 -3.631 -4.535 1.00 0.19 C ATOM 1261 O ASN B 121 -12.951 -3.814 -5.751 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.189 -3.118 -3.661 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.477 -3.721 -3.139 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.216 -4.368 -3.879 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.757 -3.506 -1.859 1.00 0.50 N ATOM 0 H ASN B 121 -13.941 -3.661 -1.581 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.378 -5.073 -4.005 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.932 -2.243 -3.063 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.341 -2.772 -4.683 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.614 -3.884 -1.454 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.115 -2.963 -1.281 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.884 -3.015 -3.942 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.750 -2.516 -4.708 1.00 0.13 C ATOM 1274 C LEU B 122 -9.674 -3.578 -4.867 1.00 0.16 C ATOM 1275 O LEU B 122 -9.238 -4.193 -3.894 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.165 -1.271 -4.044 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.671 0.057 -4.609 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.177 0.012 -4.804 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.288 1.203 -3.690 1.00 0.19 C ATOM 0 H LEU B 122 -11.823 -2.850 -2.937 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.113 -2.253 -5.702 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.391 -1.305 -2.978 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.080 -1.301 -4.141 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.203 0.221 -5.580 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.520 0.965 -5.207 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.430 -0.788 -5.500 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.663 -0.173 -3.846 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.655 2.141 -4.106 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.730 1.044 -2.707 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.203 1.248 -3.597 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.252 -3.784 -6.109 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.218 -4.765 -6.416 1.00 0.20 C ATOM 1293 C ASN B 123 -6.850 -4.230 -6.024 1.00 0.19 C ATOM 1294 O ASN B 123 -6.747 -3.202 -5.356 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.216 -5.101 -7.907 1.00 0.28 C ATOM 1296 CG ASN B 123 -9.604 -5.115 -8.508 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -10.583 -5.452 -7.841 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -9.693 -4.745 -9.779 1.00 1.39 N ATOM 0 H ASN B 123 -9.611 -3.283 -6.922 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.434 -5.669 -5.846 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.603 -4.373 -8.438 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -7.752 -6.076 -8.054 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -10.601 -4.732 -10.244 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -8.854 -4.474 -10.291 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.803 -4.927 -6.446 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.456 -4.491 -6.138 1.00 0.11 C ATOM 1307 C GLY B 124 -4.068 -3.268 -6.940 1.00 0.11 C ATOM 1308 O GLY B 124 -3.300 -2.427 -6.474 1.00 0.17 O ATOM 0 H GLY B 124 -5.863 -5.785 -6.995 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.380 -4.268 -5.074 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.755 -5.300 -6.345 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.608 -3.170 -8.151 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.319 -2.048 -9.035 1.00 0.14 C ATOM 1314 C ARG B 125 -4.927 -0.756 -8.498 1.00 0.12 C ATOM 1315 O ARG B 125 -4.245 0.263 -8.383 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.862 -2.325 -10.439 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.830 -3.792 -10.832 1.00 0.58 C ATOM 1318 CD ARG B 125 -5.160 -3.984 -12.304 1.00 0.90 C ATOM 1319 NE ARG B 125 -6.440 -3.379 -12.664 1.00 1.75 N ATOM 1320 CZ ARG B 125 -6.853 -3.218 -13.919 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -6.086 -3.607 -14.928 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -8.032 -2.665 -14.167 1.00 3.25 N ATOM 0 H ARG B 125 -5.251 -3.858 -8.543 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.236 -1.930 -9.082 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.889 -1.965 -10.498 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.281 -1.752 -11.162 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.843 -4.204 -10.623 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -5.543 -4.348 -10.223 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -4.369 -3.546 -12.912 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -5.186 -5.049 -12.533 1.00 0.90 H new ATOM 0 HE ARG B 125 -7.051 -3.062 -11.912 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -5.177 -4.031 -14.744 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -6.405 -3.482 -15.889 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -8.625 -2.361 -13.395 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -8.346 -2.543 -15.130 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.215 -0.807 -8.173 1.00 0.12 N ATOM 1337 CA GLN B 126 -6.926 0.357 -7.660 1.00 0.11 C ATOM 1338 C GLN B 126 -6.293 0.880 -6.372 1.00 0.09 C ATOM 1339 O GLN B 126 -6.002 2.070 -6.258 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.397 0.007 -7.425 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.025 -0.741 -8.591 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.516 -0.948 -8.421 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -10.958 -1.949 -7.859 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.299 -0.001 -8.918 1.00 0.64 N ATOM 0 H GLN B 126 -6.789 -1.646 -8.257 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.858 1.149 -8.406 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.480 -0.601 -6.524 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -8.958 0.924 -7.244 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.842 -0.188 -9.512 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.538 -1.710 -8.699 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.888 0.812 -9.376 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.313 -0.086 -8.842 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.076 -0.009 -5.405 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.478 0.385 -4.132 1.00 0.08 C ATOM 1355 C VAL B 127 -4.064 0.935 -4.326 1.00 0.08 C ATOM 1356 O VAL B 127 -3.737 2.003 -3.813 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.452 -0.784 -3.119 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.866 -1.247 -2.802 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.613 -1.942 -3.637 1.00 0.10 C ATOM 0 H VAL B 127 -6.304 -1.001 -5.478 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.109 1.175 -3.724 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.991 -0.422 -2.200 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.828 -2.070 -2.088 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.432 -0.420 -2.373 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.353 -1.583 -3.718 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.614 -2.748 -2.904 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.033 -2.305 -4.575 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.590 -1.604 -3.804 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.233 0.213 -5.078 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.858 0.644 -5.330 1.00 0.10 C ATOM 1371 C ALA B 128 -1.829 1.999 -6.028 1.00 0.10 C ATOM 1372 O ALA B 128 -0.798 2.670 -6.061 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.113 -0.398 -6.155 1.00 0.10 C ATOM 0 H ALA B 128 -3.487 -0.670 -5.522 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.356 0.748 -4.368 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.092 -0.060 -6.332 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.093 -1.344 -5.614 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.620 -0.537 -7.110 1.00 0.10 H new ATOM 1379 N ALA B 129 -2.970 2.396 -6.581 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.079 3.674 -7.271 1.00 0.09 C ATOM 1381 C ALA B 129 -3.393 4.788 -6.280 1.00 0.09 C ATOM 1382 O ALA B 129 -2.984 5.935 -6.466 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.148 3.606 -8.349 1.00 0.10 C ATOM 0 H ALA B 129 -3.832 1.851 -6.564 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.123 3.893 -7.746 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.216 4.569 -8.855 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -3.886 2.834 -9.073 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.109 3.366 -7.894 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.125 4.438 -5.226 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.493 5.397 -4.193 1.00 0.08 C ATOM 1391 C PHE B 130 -3.348 5.581 -3.201 1.00 0.09 C ATOM 1392 O PHE B 130 -3.199 6.645 -2.600 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.756 4.935 -3.463 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.018 5.124 -4.257 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.514 6.395 -4.510 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.707 4.029 -4.752 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.673 6.565 -5.242 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.866 4.195 -5.483 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.351 5.464 -5.729 1.00 0.16 C ATOM 0 H PHE B 130 -4.475 3.493 -5.066 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.696 6.356 -4.670 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.652 3.880 -3.209 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.843 5.482 -2.524 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -6.989 7.259 -4.131 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.333 3.034 -4.564 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.049 7.559 -5.434 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.393 3.332 -5.862 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.258 5.596 -6.301 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.538 4.535 -3.036 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.396 4.588 -2.130 1.00 0.09 C ATOM 1411 C ILE B 131 -0.310 5.470 -2.727 1.00 0.10 C ATOM 1412 O ILE B 131 0.301 6.284 -2.036 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.804 3.188 -1.870 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.890 2.217 -1.397 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.326 3.274 -0.850 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.346 2.449 0.027 1.00 0.13 C ATOM 0 H ILE B 131 -2.653 3.643 -3.518 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.749 4.996 -1.183 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.397 2.806 -2.806 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.750 2.299 -2.061 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.515 1.197 -1.486 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.735 2.279 -0.675 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.111 3.927 -1.231 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.059 3.677 0.087 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.115 1.721 0.286 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.498 2.337 0.703 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.753 3.456 0.119 1.00 0.13 H new ATOM 1428 N SER B 132 -0.080 5.288 -4.023 1.00 0.11 N ATOM 1429 CA SER B 132 0.922 6.060 -4.746 1.00 0.13 C ATOM 1430 C SER B 132 0.664 7.554 -4.596 1.00 0.15 C ATOM 1431 O SER B 132 1.528 8.301 -4.136 1.00 0.21 O ATOM 1432 CB SER B 132 0.908 5.679 -6.225 1.00 0.17 C ATOM 1433 OG SER B 132 1.869 6.424 -6.954 1.00 0.63 O ATOM 0 H SER B 132 -0.578 4.608 -4.597 1.00 0.11 H new ATOM 0 HA SER B 132 1.901 5.833 -4.324 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.113 4.614 -6.331 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.084 5.856 -6.640 1.00 0.17 H new ATOM 0 HG SER B 132 1.841 6.160 -7.897 1.00 0.63 H new ATOM 1439 N SER B 133 -0.530 7.981 -4.995 1.00 0.15 N ATOM 1440 CA SER B 133 -0.912 9.387 -4.909 1.00 0.19 C ATOM 1441 C SER B 133 -0.758 9.903 -3.485 1.00 0.18 C ATOM 1442 O SER B 133 -0.425 11.068 -3.267 1.00 0.26 O ATOM 1443 CB SER B 133 -2.362 9.573 -5.362 1.00 0.23 C ATOM 1444 OG SER B 133 -2.645 10.938 -5.615 1.00 0.74 O ATOM 0 H SER B 133 -1.251 7.372 -5.382 1.00 0.15 H new ATOM 0 HA SER B 133 -0.252 9.955 -5.565 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.543 8.988 -6.263 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.038 9.194 -4.595 1.00 0.23 H new ATOM 0 HG SER B 133 -3.330 11.006 -6.313 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.002 9.027 -2.518 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.901 9.388 -1.112 1.00 0.13 C ATOM 1452 C LEU B 134 0.524 9.792 -0.754 1.00 0.15 C ATOM 1453 O LEU B 134 0.767 10.902 -0.279 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.341 8.216 -0.234 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.363 8.563 0.849 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.600 7.367 1.755 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.898 9.764 1.656 1.00 0.20 C ATOM 0 H LEU B 134 -1.272 8.058 -2.684 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.558 10.239 -0.934 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.763 7.441 -0.874 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.459 7.790 0.244 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.306 8.821 0.366 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.330 7.630 2.521 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -2.978 6.532 1.164 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.662 7.079 2.231 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.638 9.996 2.422 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -0.944 9.536 2.131 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.778 10.622 0.995 1.00 0.20 H new ATOM 1469 N LEU B 135 1.459 8.881 -0.988 1.00 0.17 N ATOM 1470 CA LEU B 135 2.865 9.127 -0.690 1.00 0.22 C ATOM 1471 C LEU B 135 3.423 10.216 -1.599 1.00 0.24 C ATOM 1472 O LEU B 135 4.436 10.843 -1.286 1.00 0.31 O ATOM 1473 CB LEU B 135 3.670 7.833 -0.861 1.00 0.26 C ATOM 1474 CG LEU B 135 3.510 6.779 0.251 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.175 6.912 0.976 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.645 5.384 -0.334 1.00 0.65 C ATOM 0 H LEU B 135 1.269 7.961 -1.385 1.00 0.17 H new ATOM 0 HA LEU B 135 2.948 9.465 0.343 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.386 7.376 -1.809 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.726 8.094 -0.936 1.00 0.26 H new ATOM 0 HG LEU B 135 4.300 6.949 0.982 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.105 6.149 1.752 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.105 7.900 1.431 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.360 6.782 0.264 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.531 4.644 0.459 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.874 5.230 -1.088 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.628 5.275 -0.793 1.00 0.65 H new ATOM 1488 N ASP B 136 2.751 10.435 -2.724 1.00 0.22 N ATOM 1489 CA ASP B 136 3.168 11.447 -3.688 1.00 0.26 C ATOM 1490 C ASP B 136 2.601 12.814 -3.317 1.00 0.25 C ATOM 1491 O ASP B 136 3.092 13.846 -3.773 1.00 0.29 O ATOM 1492 CB ASP B 136 2.709 11.059 -5.094 1.00 0.29 C ATOM 1493 CG ASP B 136 3.080 12.098 -6.134 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.226 12.061 -6.628 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.224 12.951 -6.452 1.00 0.40 O ATOM 0 H ASP B 136 1.911 9.922 -2.992 1.00 0.22 H new ATOM 0 HA ASP B 136 4.256 11.506 -3.670 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.154 10.102 -5.367 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.628 10.920 -5.094 1.00 0.29 H new ATOM 1500 N ASP B 137 1.564 12.811 -2.487 1.00 0.24 N ATOM 1501 CA ASP B 137 0.927 14.049 -2.054 1.00 0.27 C ATOM 1502 C ASP B 137 0.104 13.815 -0.788 1.00 0.22 C ATOM 1503 O ASP B 137 -1.125 13.752 -0.840 1.00 0.24 O ATOM 1504 CB ASP B 137 0.034 14.606 -3.166 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.494 15.990 -2.843 1.00 1.19 C ATOM 1506 OD1 ASP B 137 -1.574 16.082 -2.223 1.00 2.13 O ATOM 1507 OD2 ASP B 137 0.172 16.981 -3.210 1.00 1.42 O ATOM 0 H ASP B 137 1.146 11.965 -2.100 1.00 0.24 H new ATOM 0 HA ASP B 137 1.708 14.777 -1.832 1.00 0.27 H new ATOM 0 HB2 ASP B 137 0.599 14.644 -4.098 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.804 13.929 -3.329 1.00 0.38 H new ATOM 1512 N PRO B 138 0.778 13.681 0.369 1.00 0.19 N ATOM 1513 CA PRO B 138 0.109 13.451 1.656 1.00 0.21 C ATOM 1514 C PRO B 138 -0.913 14.533 1.987 1.00 0.22 C ATOM 1515 O PRO B 138 -1.716 14.378 2.907 1.00 0.31 O ATOM 1516 CB PRO B 138 1.258 13.472 2.670 1.00 0.24 C ATOM 1517 CG PRO B 138 2.475 13.147 1.876 1.00 0.25 C ATOM 1518 CD PRO B 138 2.245 13.735 0.513 1.00 0.23 C ATOM 0 HA PRO B 138 -0.457 12.520 1.653 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.346 14.448 3.147 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.098 12.743 3.464 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.367 13.569 2.338 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.626 12.069 1.816 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.619 14.757 0.446 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.748 13.160 -0.264 1.00 0.23 H new ATOM 1526 N SER B 139 -0.877 15.630 1.236 1.00 0.20 N ATOM 1527 CA SER B 139 -1.803 16.729 1.449 1.00 0.22 C ATOM 1528 C SER B 139 -3.229 16.292 1.141 1.00 0.19 C ATOM 1529 O SER B 139 -4.160 16.607 1.881 1.00 0.19 O ATOM 1530 CB SER B 139 -1.413 17.913 0.566 1.00 0.28 C ATOM 1531 OG SER B 139 -0.144 18.426 0.930 1.00 1.15 O ATOM 0 H SER B 139 -0.214 15.778 0.475 1.00 0.20 H new ATOM 0 HA SER B 139 -1.754 17.032 2.495 1.00 0.22 H new ATOM 0 HB2 SER B 139 -1.397 17.602 -0.478 1.00 0.28 H new ATOM 0 HB3 SER B 139 -2.164 18.698 0.653 1.00 0.28 H new ATOM 0 HG SER B 139 0.082 19.182 0.349 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.389 15.562 0.041 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.699 15.073 -0.369 1.00 0.17 C ATOM 1539 C GLN B 140 -4.975 13.699 0.220 1.00 0.15 C ATOM 1540 O GLN B 140 -5.791 12.949 -0.303 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.793 15.001 -1.892 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.719 16.355 -2.574 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.804 17.306 -2.107 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.897 17.346 -2.674 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.508 18.080 -1.069 1.00 1.37 N ATOM 0 H GLN B 140 -2.626 15.297 -0.582 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.446 15.774 0.005 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -3.987 14.371 -2.267 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.730 14.517 -2.167 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.743 16.801 -2.382 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.800 16.219 -3.652 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.590 18.014 -0.629 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -6.199 18.740 -0.712 1.00 1.37 H new ATOM 1554 N SER B 141 -4.285 13.374 1.304 1.00 0.15 N ATOM 1555 CA SER B 141 -4.449 12.081 1.964 1.00 0.13 C ATOM 1556 C SER B 141 -5.918 11.775 2.240 1.00 0.13 C ATOM 1557 O SER B 141 -6.399 10.682 1.941 1.00 0.18 O ATOM 1558 CB SER B 141 -3.663 12.059 3.278 1.00 0.15 C ATOM 1559 OG SER B 141 -3.840 10.829 3.959 1.00 1.01 O ATOM 0 H SER B 141 -3.603 13.989 1.749 1.00 0.15 H new ATOM 0 HA SER B 141 -4.063 11.314 1.292 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.604 12.216 3.074 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.990 12.881 3.915 1.00 0.15 H new ATOM 0 HG SER B 141 -3.327 10.840 4.794 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.623 12.742 2.813 1.00 0.16 N ATOM 1566 CA ALA B 142 -8.034 12.570 3.137 1.00 0.17 C ATOM 1567 C ALA B 142 -8.895 12.505 1.883 1.00 0.17 C ATOM 1568 O ALA B 142 -9.947 11.868 1.879 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.505 13.696 4.043 1.00 0.20 C ATOM 0 H ALA B 142 -6.241 13.654 3.063 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.142 11.620 3.661 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.560 13.557 4.278 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.924 13.688 4.965 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.369 14.652 3.536 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.448 13.162 0.817 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.198 13.171 -0.432 1.00 0.18 C ATOM 1577 C ASN B 143 -8.929 11.899 -1.221 1.00 0.16 C ATOM 1578 O ASN B 143 -9.784 11.413 -1.956 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.831 14.395 -1.270 1.00 0.20 C ATOM 1580 CG ASN B 143 -9.050 15.696 -0.522 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -10.131 16.282 -0.577 1.00 0.26 O ATOM 1582 ND2 ASN B 143 -8.022 16.155 0.184 1.00 0.23 N ATOM 0 H ASN B 143 -7.576 13.691 0.794 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.260 13.218 -0.193 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.786 14.325 -1.572 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.427 14.399 -2.182 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -8.111 17.025 0.708 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -7.144 15.637 0.202 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.731 11.365 -1.043 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.308 10.153 -1.723 1.00 0.12 C ATOM 1591 C LEU B 144 -7.927 8.937 -1.054 1.00 0.11 C ATOM 1592 O LEU B 144 -8.286 7.962 -1.716 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.783 10.074 -1.709 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.088 11.122 -2.581 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.605 11.169 -2.271 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.320 10.827 -4.054 1.00 0.14 C ATOM 0 H LEU B 144 -7.025 11.761 -0.422 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.647 10.173 -2.759 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.435 10.185 -0.682 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.480 9.082 -2.043 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.516 12.099 -2.357 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.125 11.919 -2.900 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.461 11.428 -1.222 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.161 10.193 -2.468 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.819 11.582 -4.660 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.918 9.843 -4.296 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.389 10.844 -4.264 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.048 9.005 0.265 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.662 7.933 1.029 1.00 0.11 C ATOM 1610 C LEU B 145 -10.167 8.000 0.832 1.00 0.12 C ATOM 1611 O LEU B 145 -10.863 6.984 0.861 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.302 8.054 2.513 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.187 7.256 3.477 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.197 5.780 3.106 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.711 7.440 4.910 1.00 0.16 C ATOM 0 H LEU B 145 -7.728 9.794 0.827 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.290 6.970 0.679 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.269 7.732 2.645 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.346 9.106 2.794 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.206 7.634 3.397 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.831 5.234 3.804 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.585 5.662 2.094 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.182 5.386 3.154 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.350 6.867 5.582 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.683 7.089 5.000 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.759 8.496 5.177 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.659 9.218 0.623 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.076 9.441 0.386 1.00 0.17 C ATOM 1629 C ALA B 146 -12.481 8.825 -0.945 1.00 0.16 C ATOM 1630 O ALA B 146 -13.496 8.137 -1.044 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.394 10.929 0.400 1.00 0.20 C ATOM 0 H ALA B 146 -10.093 10.066 0.614 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.644 8.964 1.185 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.459 11.075 0.221 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.128 11.349 1.370 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.823 11.431 -0.381 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.670 9.082 -1.970 1.00 0.18 N ATOM 1638 CA GLU B 147 -11.913 8.538 -3.300 1.00 0.19 C ATOM 1639 C GLU B 147 -11.882 7.024 -3.240 1.00 0.16 C ATOM 1640 O GLU B 147 -12.700 6.342 -3.850 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.844 9.028 -4.275 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.871 10.524 -4.506 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.831 10.928 -5.607 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -11.425 10.899 -6.789 1.00 0.57 O ATOM 1645 OE2 GLU B 147 -12.988 11.274 -5.290 1.00 0.62 O ATOM 0 H GLU B 147 -10.837 9.666 -1.902 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.890 8.874 -3.646 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.862 8.745 -3.896 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -10.975 8.519 -5.230 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.154 11.025 -3.581 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.868 10.867 -4.760 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.907 6.512 -2.506 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.751 5.077 -2.332 1.00 0.12 C ATOM 1654 C ALA B 148 -11.999 4.467 -1.702 1.00 0.14 C ATOM 1655 O ALA B 148 -12.481 3.424 -2.143 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.531 4.789 -1.477 1.00 0.11 C ATOM 0 H ALA B 148 -10.208 7.073 -2.019 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.612 4.622 -3.313 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.421 3.712 -1.351 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.642 5.190 -1.964 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.652 5.258 -0.500 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.518 5.125 -0.667 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.716 4.653 0.021 1.00 0.17 C ATOM 1664 C LYS B 149 -14.958 4.877 -0.835 1.00 0.17 C ATOM 1665 O LYS B 149 -15.981 4.219 -0.646 1.00 0.22 O ATOM 1666 CB LYS B 149 -13.877 5.361 1.368 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.213 4.629 2.525 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.503 5.307 3.853 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.504 6.413 4.138 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.837 7.158 5.384 1.00 1.01 N ATOM 0 H LYS B 149 -12.127 5.987 -0.287 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.602 3.583 0.196 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.456 6.364 1.294 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -14.939 5.476 1.584 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.567 3.599 2.556 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.136 4.591 2.362 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -14.512 5.720 3.840 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -13.471 4.569 4.655 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -11.505 5.985 4.227 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -12.480 7.106 3.297 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.130 7.904 5.542 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -13.779 7.588 5.290 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -12.835 6.503 6.191 1.00 1.01 H new ATOM 1684 N LYS B 150 -14.863 5.808 -1.778 1.00 0.17 N ATOM 1685 CA LYS B 150 -15.968 6.114 -2.667 1.00 0.20 C ATOM 1686 C LYS B 150 -16.035 5.065 -3.763 1.00 0.21 C ATOM 1687 O LYS B 150 -17.109 4.634 -4.180 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.780 7.522 -3.239 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.234 7.556 -4.651 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.082 8.419 -5.571 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.482 7.850 -5.747 1.00 1.28 C ATOM 1692 NZ LYS B 150 -18.272 8.618 -6.748 1.00 1.99 N ATOM 0 H LYS B 150 -14.025 6.365 -1.944 1.00 0.17 H new ATOM 0 HA LYS B 150 -16.913 6.094 -2.124 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -16.739 8.039 -3.221 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -15.105 8.078 -2.588 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -14.213 7.938 -4.635 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.189 6.541 -5.046 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.148 9.428 -5.164 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.597 8.499 -6.544 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.414 6.808 -6.060 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -18.001 7.861 -4.789 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -19.219 8.198 -6.839 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -18.359 9.607 -6.437 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -17.790 8.586 -7.669 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.856 4.665 -4.214 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.720 3.655 -5.254 1.00 0.16 C ATOM 1708 C LEU B 151 -15.115 2.286 -4.717 1.00 0.15 C ATOM 1709 O LEU B 151 -15.879 1.553 -5.347 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.277 3.626 -5.768 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.999 2.619 -6.882 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.938 2.850 -8.045 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.548 2.711 -7.333 1.00 0.18 C ATOM 0 H LEU B 151 -13.968 5.030 -3.871 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.385 3.908 -6.080 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -13.017 4.622 -6.128 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.615 3.407 -4.930 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.172 1.615 -6.496 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.728 2.125 -8.831 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.968 2.733 -7.709 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.795 3.858 -8.433 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.367 1.987 -8.127 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.346 3.715 -7.705 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.891 2.497 -6.490 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.580 1.947 -3.551 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.880 0.671 -2.908 1.00 0.14 C ATOM 1727 C ASN B 152 -16.377 0.533 -2.651 1.00 0.17 C ATOM 1728 O ASN B 152 -16.975 -0.490 -2.974 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.104 0.538 -1.596 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.261 -0.834 -0.971 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -13.595 -1.787 -1.371 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -15.133 -0.938 0.026 1.00 0.69 N ATOM 0 H ASN B 152 -13.934 2.539 -3.029 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.571 -0.129 -3.581 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.047 0.732 -1.780 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.450 1.296 -0.894 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -15.271 -1.835 0.492 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -15.665 -0.121 0.326 1.00 0.69 H new ATOM 1739 N ASP B 153 -16.975 1.571 -2.073 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.405 1.560 -1.782 1.00 0.23 C ATOM 1741 C ASP B 153 -19.217 1.625 -3.070 1.00 0.25 C ATOM 1742 O ASP B 153 -20.394 1.260 -3.092 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.776 2.729 -0.866 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.419 2.461 0.584 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -17.218 2.535 0.922 1.00 2.25 O ATOM 1746 OD2 ASP B 153 -19.337 2.176 1.380 1.00 1.04 O ATOM 0 H ASP B 153 -16.494 2.427 -1.798 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.640 0.627 -1.270 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.263 3.629 -1.204 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -19.846 2.924 -0.944 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.582 2.092 -4.142 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.244 2.195 -5.436 1.00 0.28 C ATOM 1753 C ALA B 154 -19.532 0.811 -6.003 1.00 0.30 C ATOM 1754 O ALA B 154 -20.672 0.491 -6.343 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.386 2.996 -6.405 1.00 0.28 C ATOM 0 H ALA B 154 -17.611 2.404 -4.139 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.193 2.714 -5.298 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.892 3.065 -7.368 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.226 3.998 -6.006 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.425 2.499 -6.536 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.489 -0.007 -6.100 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.620 -1.362 -6.617 1.00 0.35 C ATOM 1763 C GLN B 155 -19.236 -2.276 -5.562 1.00 0.36 C ATOM 1764 O GLN B 155 -19.792 -3.327 -5.882 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.252 -1.899 -7.038 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.537 -1.011 -8.043 1.00 0.36 C ATOM 1767 CD GLN B 155 -15.200 -1.581 -8.475 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -15.114 -2.322 -9.454 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -14.147 -1.239 -7.741 1.00 0.39 N ATOM 0 H GLN B 155 -17.540 0.248 -5.826 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.276 -1.340 -7.487 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.626 -2.010 -6.153 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.377 -2.893 -7.467 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -17.171 -0.876 -8.919 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.383 -0.024 -7.606 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.264 -0.622 -6.937 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.221 -1.594 -7.981 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.122 -1.865 -4.303 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.666 -2.632 -3.188 1.00 0.34 C ATOM 1780 C ALA B 156 -21.161 -2.897 -3.375 1.00 0.47 C ATOM 1781 O ALA B 156 -21.831 -2.186 -4.123 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.418 -1.897 -1.879 1.00 0.36 C ATOM 0 H ALA B 156 -18.655 -1.001 -4.029 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.157 -3.595 -3.158 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.828 -2.478 -1.052 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.346 -1.765 -1.733 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -19.902 -0.921 -1.912 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.703 -3.927 -2.695 1.00 0.53 N ATOM 1789 CA PRO B 157 -23.124 -4.277 -2.799 1.00 0.68 C ATOM 1790 C PRO B 157 -24.039 -3.088 -2.517 1.00 0.79 C ATOM 1791 O PRO B 157 -24.679 -2.557 -3.425 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.309 -5.360 -1.733 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.954 -5.948 -1.548 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.979 -4.827 -1.779 1.00 0.48 C ATOM 0 HA PRO B 157 -23.386 -4.605 -3.805 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.687 -4.938 -0.802 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -24.027 -6.114 -2.056 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.842 -6.362 -0.546 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.784 -6.764 -2.251 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.716 -4.325 -0.848 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -20.050 -5.187 -2.221 1.00 0.48 H new ATOM 1802 N LYS B 158 -24.097 -2.677 -1.253 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.932 -1.555 -0.852 1.00 1.17 C ATOM 1804 C LYS B 158 -24.280 -0.226 -1.221 1.00 1.23 C ATOM 1805 O LYS B 158 -23.484 0.288 -0.406 1.00 1.76 O ATOM 1806 CB LYS B 158 -25.205 -1.606 0.653 1.00 1.46 C ATOM 1807 CG LYS B 158 -25.932 -2.866 1.096 1.00 1.69 C ATOM 1808 CD LYS B 158 -27.340 -2.930 0.528 1.00 2.47 C ATOM 1809 CE LYS B 158 -28.060 -4.197 0.962 1.00 3.07 C ATOM 1810 NZ LYS B 158 -28.190 -4.282 2.442 1.00 3.60 N ATOM 1811 OXT LYS B 158 -24.568 0.289 -2.321 1.00 1.64 O ATOM 0 H LYS B 158 -23.574 -3.107 -0.490 1.00 0.96 H new ATOM 0 HA LYS B 158 -25.878 -1.632 -1.388 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -24.258 -1.535 1.188 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -25.797 -0.736 0.936 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -25.370 -3.743 0.775 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -25.977 -2.897 2.185 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -27.906 -2.058 0.857 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -27.296 -2.890 -0.560 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -29.051 -4.225 0.508 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -27.516 -5.067 0.595 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -28.867 -5.032 2.689 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -27.263 -4.502 2.860 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -28.530 -3.372 2.813 1.00 3.60 H new TER 1825 LYS B 158