USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 917 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 23 ASN : amide:sc= -4.36! C(o=-7.1!,f=-15!) USER MOD Set 1.2: B 55 GLN : amide:sc= -2.75 K(o=-7.1,f=-4.7) USER MOD Set 2.1: B 7 LYS NZ :NH3+ -129:sc= 0.431 (180deg=-0.00757) USER MOD Set 2.2: B 10 SER OG : rot 80:sc= -0.101 USER MOD Set 3.1: A 39 SER OG : rot -33:sc= 0.574 USER MOD Set 3.2: A 40 GLN : amide:sc= 0 X(o=0.57,f=0.55) USER MOD Set 4.1: A 23 ASN : amide:sc= -0.304 K(o=-1.6,f=-9.9!) USER MOD Set 4.2: A 26 GLN : amide:sc= -0.911 K(o=-1.6,f=-6.1!) USER MOD Set 4.3: A 55 GLN : amide:sc= -0.399 K(o=-1.6,f=-9.2!) USER MOD Set 5.1: A 14 TYR OH : rot 131:sc= -0.499 USER MOD Set 5.2: A 18 HIS : no HD1:sc= -22.6! C(o=-23!,f=-26!) USER MOD Single : A 1 VAL N :NH3+ -178:sc= -1 (180deg=-1.01) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.128 X(o=-0.13,f=0.037) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.13 X(o=-2.1,f=-1.8) USER MOD Single : A 10 GLN : amide:sc= -3.83! C(o=-3.8!,f=-12!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.4!) USER MOD Single : A 28 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.8!) USER MOD Single : A 32 GLN : amide:sc= -0.446 K(o=-0.45,f=-2.1) USER MOD Single : A 33 SER OG : rot 10:sc= 0.0733 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.164 (180deg=-0.18) USER MOD Single : A 41 SER OG : rot -94:sc= 0.909 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.26! C(o=-1.3!,f=-9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -154:sc= -0.0485 (180deg=-0.851) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -3.55 X(o=-3.5,f=-3.7!) USER MOD Single : B 18 THR OG1 : rot -90:sc= 1.27 USER MOD Single : B 21 ASN : amide:sc= -4.57! C(o=-4.6!,f=-4.4!) USER MOD Single : B 26 GLN : amide:sc= -4.76! C(o=-4.8!,f=-8.7!) USER MOD Single : B 27 LYS NZ :NH3+ -166:sc= 0.359 (180deg=0.216) USER MOD Single : B 28 LYS NZ :NH3+ -115:sc= 0.108 (180deg=-0.0598) USER MOD Single : B 33 SER OG : rot -25:sc= -2.53! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.995 K(o=-1,f=-0.39) USER MOD Single : B 41 SER OG : rot -120:sc= -1.2 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 173:sc= 0.00401 (180deg=0.00215) USER MOD Single : B 50 LYS NZ :NH3+ -177:sc= -0.238 (180deg=-0.264) USER MOD Single : B 52 ASN : amide:sc= -4.64! C(o=-4.6!,f=-14!) USER MOD Single : B 58 LYS NZ :NH3+ -167:sc= 0.00605 (180deg=-0.136) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.101 -19.382 8.794 1.00 0.00 N ATOM 2 CA VAL A 1 -3.154 -19.046 7.666 1.00 0.00 C ATOM 3 C VAL A 1 -2.295 -17.803 7.996 1.00 0.00 C ATOM 4 O VAL A 1 -1.149 -17.728 7.585 1.00 0.00 O ATOM 5 CB VAL A 1 -4.004 -18.802 6.386 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.772 -20.075 6.010 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.003 -17.646 6.577 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.637 -20.240 8.553 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.558 -19.546 9.666 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.761 -18.591 8.941 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.461 -19.873 7.512 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.315 -18.532 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.363 -19.892 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.066 -20.883 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.434 -20.356 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.578 -17.507 5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.680 -17.882 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.459 -16.730 6.807 1.00 0.00 H new ATOM 19 N ASP A 2 -2.832 -16.834 8.725 1.00 0.00 N ATOM 20 CA ASP A 2 -2.035 -15.608 9.064 1.00 0.00 C ATOM 21 C ASP A 2 -1.106 -15.875 10.260 1.00 0.00 C ATOM 22 O ASP A 2 -1.461 -15.647 11.406 1.00 0.00 O ATOM 23 CB ASP A 2 -3.067 -14.511 9.385 1.00 0.00 C ATOM 24 CG ASP A 2 -3.379 -13.713 8.114 1.00 0.00 C ATOM 25 OD1 ASP A 2 -4.283 -14.111 7.397 1.00 0.00 O ATOM 26 OD2 ASP A 2 -2.703 -12.723 7.877 1.00 0.00 O ATOM 0 H ASP A 2 -3.783 -16.846 9.094 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.388 -15.307 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.979 -14.959 9.778 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.679 -13.847 10.158 1.00 0.00 H new ATOM 31 N ASN A 3 0.091 -16.348 9.984 1.00 0.00 N ATOM 32 CA ASN A 3 1.085 -16.622 11.077 1.00 0.00 C ATOM 33 C ASN A 3 1.968 -15.379 11.262 1.00 0.00 C ATOM 34 O ASN A 3 1.946 -14.750 12.305 1.00 0.00 O ATOM 35 CB ASN A 3 1.909 -17.836 10.605 1.00 0.00 C ATOM 36 CG ASN A 3 1.000 -19.066 10.470 1.00 0.00 C ATOM 37 OD1 ASN A 3 0.715 -19.502 9.372 1.00 0.00 O ATOM 38 ND2 ASN A 3 0.530 -19.649 11.541 1.00 0.00 N ATOM 0 H ASN A 3 0.423 -16.557 9.043 1.00 0.00 H new ATOM 0 HA ASN A 3 0.614 -16.836 12.036 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.381 -17.616 9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.710 -18.041 11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.073 -20.467 11.453 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.767 -19.286 12.465 1.00 0.00 H new ATOM 45 N LYS A 4 2.721 -15.009 10.240 1.00 0.00 N ATOM 46 CA LYS A 4 3.589 -13.786 10.317 1.00 0.00 C ATOM 47 C LYS A 4 3.788 -13.179 8.914 1.00 0.00 C ATOM 48 O LYS A 4 3.460 -12.031 8.697 1.00 0.00 O ATOM 49 CB LYS A 4 4.930 -14.209 10.978 1.00 0.00 C ATOM 50 CG LYS A 4 5.535 -15.471 10.339 1.00 0.00 C ATOM 51 CD LYS A 4 6.646 -16.016 11.240 1.00 0.00 C ATOM 52 CE LYS A 4 7.214 -17.309 10.636 1.00 0.00 C ATOM 53 NZ LYS A 4 8.654 -17.342 11.037 1.00 0.00 N ATOM 0 H LYS A 4 2.768 -15.509 9.352 1.00 0.00 H new ATOM 0 HA LYS A 4 3.123 -13.007 10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.644 -13.389 10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.766 -14.388 12.041 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.762 -16.227 10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.934 -15.236 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.438 -15.274 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.255 -16.211 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.683 -18.183 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.109 -17.314 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.101 -18.201 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.139 -16.503 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.725 -17.346 12.075 1.00 0.00 H new ATOM 67 N PHE A 5 4.295 -13.942 7.959 1.00 0.00 N ATOM 68 CA PHE A 5 4.501 -13.410 6.569 1.00 0.00 C ATOM 69 C PHE A 5 3.164 -13.141 5.856 1.00 0.00 C ATOM 70 O PHE A 5 3.110 -12.318 4.958 1.00 0.00 O ATOM 71 CB PHE A 5 5.305 -14.481 5.816 1.00 0.00 C ATOM 72 CG PHE A 5 6.714 -14.529 6.365 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.657 -13.581 5.952 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.069 -15.510 7.294 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.955 -13.618 6.471 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.365 -15.548 7.810 1.00 0.00 C ATOM 77 CZ PHE A 5 9.307 -14.605 7.401 1.00 0.00 C ATOM 0 H PHE A 5 4.575 -14.914 8.089 1.00 0.00 H new ATOM 0 HA PHE A 5 5.027 -12.456 6.600 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.827 -15.454 5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.326 -14.254 4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.383 -12.822 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.340 -16.240 7.613 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.685 -12.887 6.156 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.638 -16.308 8.527 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.309 -14.635 7.802 1.00 0.00 H new ATOM 87 N ASN A 6 2.093 -13.829 6.241 1.00 0.00 N ATOM 88 CA ASN A 6 0.759 -13.613 5.578 1.00 0.00 C ATOM 89 C ASN A 6 0.361 -12.127 5.637 1.00 0.00 C ATOM 90 O ASN A 6 0.027 -11.557 4.621 1.00 0.00 O ATOM 91 CB ASN A 6 -0.239 -14.473 6.364 1.00 0.00 C ATOM 92 CG ASN A 6 -1.432 -14.848 5.471 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.636 -16.007 5.173 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.234 -13.914 5.024 1.00 0.00 N ATOM 0 H ASN A 6 2.093 -14.527 6.985 1.00 0.00 H new ATOM 0 HA ASN A 6 0.783 -13.891 4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.253 -15.376 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.588 -13.928 7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.025 -14.162 4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.068 -12.938 5.271 1.00 0.00 H new ATOM 101 N LYS A 7 0.427 -11.493 6.802 1.00 0.00 N ATOM 102 CA LYS A 7 0.073 -10.031 6.888 1.00 0.00 C ATOM 103 C LYS A 7 1.321 -9.131 6.746 1.00 0.00 C ATOM 104 O LYS A 7 1.184 -7.938 6.570 1.00 0.00 O ATOM 105 CB LYS A 7 -0.598 -9.817 8.251 1.00 0.00 C ATOM 106 CG LYS A 7 -1.005 -8.350 8.419 1.00 0.00 C ATOM 107 CD LYS A 7 -0.016 -7.600 9.319 1.00 0.00 C ATOM 108 CE LYS A 7 -0.173 -8.049 10.778 1.00 0.00 C ATOM 109 NZ LYS A 7 1.141 -7.754 11.427 1.00 0.00 N ATOM 0 H LYS A 7 0.708 -11.924 7.683 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.595 -9.757 6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.476 -10.457 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.085 -10.106 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.050 -7.868 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.006 -8.294 8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.004 -7.785 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.187 -6.526 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.984 -7.511 11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.412 -9.111 10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.105 -8.036 12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.894 -8.285 10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.340 -6.735 11.362 1.00 0.00 H new ATOM 123 N GLU A 8 2.532 -9.668 6.785 1.00 0.00 N ATOM 124 CA GLU A 8 3.731 -8.784 6.606 1.00 0.00 C ATOM 125 C GLU A 8 3.715 -8.204 5.200 1.00 0.00 C ATOM 126 O GLU A 8 4.123 -7.090 4.994 1.00 0.00 O ATOM 127 CB GLU A 8 4.973 -9.651 6.822 1.00 0.00 C ATOM 128 CG GLU A 8 5.284 -9.732 8.319 1.00 0.00 C ATOM 129 CD GLU A 8 5.657 -8.342 8.860 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.656 -7.793 8.417 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.926 -7.843 9.703 1.00 0.00 O ATOM 0 H GLU A 8 2.732 -10.658 6.930 1.00 0.00 H new ATOM 0 HA GLU A 8 3.729 -7.956 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.807 -10.650 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.823 -9.229 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.419 -10.120 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.104 -10.429 8.490 1.00 0.00 H new ATOM 138 N GLN A 9 3.207 -8.953 4.244 1.00 0.00 N ATOM 139 CA GLN A 9 3.106 -8.449 2.850 1.00 0.00 C ATOM 140 C GLN A 9 2.138 -7.248 2.805 1.00 0.00 C ATOM 141 O GLN A 9 2.421 -6.272 2.156 1.00 0.00 O ATOM 142 CB GLN A 9 2.570 -9.618 2.021 1.00 0.00 C ATOM 143 CG GLN A 9 3.576 -10.770 1.987 1.00 0.00 C ATOM 144 CD GLN A 9 2.966 -11.935 1.203 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.092 -11.999 -0.004 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.300 -12.862 1.842 1.00 0.00 N ATOM 0 H GLN A 9 2.857 -9.901 4.381 1.00 0.00 H new ATOM 0 HA GLN A 9 4.065 -8.106 2.463 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.627 -9.966 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.361 -9.283 1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.505 -10.446 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.823 -11.085 3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.195 -12.808 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.886 -13.639 1.327 1.00 0.00 H new ATOM 155 N GLN A 10 1.017 -7.298 3.531 1.00 0.00 N ATOM 156 CA GLN A 10 0.072 -6.112 3.558 1.00 0.00 C ATOM 157 C GLN A 10 0.598 -5.043 4.505 1.00 0.00 C ATOM 158 O GLN A 10 0.438 -3.883 4.228 1.00 0.00 O ATOM 159 CB GLN A 10 -1.371 -6.537 3.932 1.00 0.00 C ATOM 160 CG GLN A 10 -1.470 -7.770 4.834 1.00 0.00 C ATOM 161 CD GLN A 10 -1.575 -9.062 4.014 1.00 0.00 C ATOM 162 OE1 GLN A 10 -0.680 -9.408 3.277 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.634 -9.813 4.140 1.00 0.00 N ATOM 0 H GLN A 10 0.725 -8.097 4.094 1.00 0.00 H new ATOM 0 HA GLN A 10 0.027 -5.692 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.862 -5.701 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.926 -6.732 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.594 -7.819 5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.341 -7.678 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.392 -9.526 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.704 -10.687 3.619 1.00 0.00 H new ATOM 172 N ASN A 11 1.260 -5.405 5.593 1.00 0.00 N ATOM 173 CA ASN A 11 1.830 -4.350 6.497 1.00 0.00 C ATOM 174 C ASN A 11 2.987 -3.666 5.760 1.00 0.00 C ATOM 175 O ASN A 11 3.082 -2.461 5.745 1.00 0.00 O ATOM 176 CB ASN A 11 2.342 -5.061 7.755 1.00 0.00 C ATOM 177 CG ASN A 11 2.321 -4.084 8.934 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.290 -3.880 9.548 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.418 -3.464 9.280 1.00 0.00 N ATOM 0 H ASN A 11 1.425 -6.368 5.885 1.00 0.00 H new ATOM 0 HA ASN A 11 1.090 -3.598 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.719 -5.928 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.355 -5.429 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.409 -2.811 10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.283 -3.633 8.767 1.00 0.00 H new ATOM 186 N ALA A 12 3.832 -4.446 5.106 1.00 0.00 N ATOM 187 CA ALA A 12 4.958 -3.867 4.309 1.00 0.00 C ATOM 188 C ALA A 12 4.373 -3.087 3.132 1.00 0.00 C ATOM 189 O ALA A 12 4.800 -1.992 2.852 1.00 0.00 O ATOM 190 CB ALA A 12 5.775 -5.053 3.794 1.00 0.00 C ATOM 0 H ALA A 12 3.782 -5.465 5.095 1.00 0.00 H new ATOM 0 HA ALA A 12 5.578 -3.194 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.614 -4.687 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.151 -5.630 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.143 -5.688 3.173 1.00 0.00 H new ATOM 196 N PHE A 13 3.359 -3.639 2.480 1.00 0.00 N ATOM 197 CA PHE A 13 2.676 -2.931 1.344 1.00 0.00 C ATOM 198 C PHE A 13 2.128 -1.608 1.873 1.00 0.00 C ATOM 199 O PHE A 13 2.433 -0.549 1.365 1.00 0.00 O ATOM 200 CB PHE A 13 1.515 -3.866 0.938 1.00 0.00 C ATOM 201 CG PHE A 13 0.559 -3.161 0.014 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.026 -2.613 -1.175 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.802 -3.099 0.327 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.140 -2.005 -2.053 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.687 -2.481 -0.546 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.220 -1.940 -1.737 1.00 0.00 C ATOM 0 H PHE A 13 2.977 -4.560 2.694 1.00 0.00 H new ATOM 0 HA PHE A 13 3.334 -2.721 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.912 -4.755 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.985 -4.203 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.078 -2.660 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.165 -3.532 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.501 -1.583 -2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.737 -2.421 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.910 -1.468 -2.421 1.00 0.00 H new ATOM 216 N TYR A 14 1.351 -1.709 2.924 1.00 0.00 N ATOM 217 CA TYR A 14 0.756 -0.523 3.597 1.00 0.00 C ATOM 218 C TYR A 14 1.857 0.490 3.929 1.00 0.00 C ATOM 219 O TYR A 14 1.792 1.620 3.512 1.00 0.00 O ATOM 220 CB TYR A 14 0.156 -1.129 4.862 1.00 0.00 C ATOM 221 CG TYR A 14 -0.543 -0.104 5.698 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.829 0.311 5.354 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.088 0.403 6.837 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.485 1.232 6.144 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.570 1.335 7.639 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.855 1.754 7.298 1.00 0.00 C ATOM 227 OH TYR A 14 -2.510 2.687 8.085 1.00 0.00 O ATOM 0 H TYR A 14 1.099 -2.599 3.354 1.00 0.00 H new ATOM 0 HA TYR A 14 0.023 0.016 2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.548 -1.915 4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.946 -1.598 5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.310 -0.087 4.473 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.083 0.074 7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.481 1.555 5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.086 1.730 8.520 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.461 2.414 9.025 1.00 0.00 H new ATOM 237 N GLU A 15 2.884 0.068 4.641 1.00 0.00 N ATOM 238 CA GLU A 15 4.006 1.003 4.981 1.00 0.00 C ATOM 239 C GLU A 15 4.659 1.540 3.695 1.00 0.00 C ATOM 240 O GLU A 15 4.875 2.725 3.596 1.00 0.00 O ATOM 241 CB GLU A 15 4.994 0.190 5.822 1.00 0.00 C ATOM 242 CG GLU A 15 4.391 -0.146 7.204 1.00 0.00 C ATOM 243 CD GLU A 15 4.050 1.145 7.970 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.960 1.922 8.227 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.889 1.326 8.296 1.00 0.00 O ATOM 0 H GLU A 15 2.990 -0.881 4.999 1.00 0.00 H new ATOM 0 HA GLU A 15 3.658 1.874 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.252 -0.731 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.918 0.753 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.492 -0.750 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.098 -0.743 7.781 1.00 0.00 H new ATOM 252 N ILE A 16 4.916 0.700 2.689 1.00 0.00 N ATOM 253 CA ILE A 16 5.499 1.218 1.383 1.00 0.00 C ATOM 254 C ILE A 16 4.609 2.369 0.865 1.00 0.00 C ATOM 255 O ILE A 16 5.093 3.421 0.485 1.00 0.00 O ATOM 256 CB ILE A 16 5.511 -0.001 0.410 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.879 -0.690 0.523 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.273 0.417 -1.054 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.699 -2.200 0.601 1.00 0.00 C ATOM 0 H ILE A 16 4.749 -0.306 2.718 1.00 0.00 H new ATOM 0 HA ILE A 16 6.508 1.617 1.490 1.00 0.00 H new ATOM 0 HB ILE A 16 4.700 -0.673 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.496 -0.433 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.403 -0.332 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.290 -0.467 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.303 0.907 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.057 1.106 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.675 -2.679 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.099 -2.450 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.194 -2.553 -0.298 1.00 0.00 H new ATOM 271 N LEU A 17 3.311 2.159 0.888 1.00 0.00 N ATOM 272 CA LEU A 17 2.334 3.220 0.444 1.00 0.00 C ATOM 273 C LEU A 17 2.320 4.405 1.430 1.00 0.00 C ATOM 274 O LEU A 17 2.290 5.550 1.027 1.00 0.00 O ATOM 275 CB LEU A 17 0.960 2.541 0.465 1.00 0.00 C ATOM 276 CG LEU A 17 0.915 1.418 -0.564 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.127 0.257 -0.028 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.179 1.851 -1.790 1.00 0.00 C ATOM 0 H LEU A 17 2.879 1.289 1.198 1.00 0.00 H new ATOM 0 HA LEU A 17 2.601 3.611 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.758 2.142 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.181 3.273 0.251 1.00 0.00 H new ATOM 0 HG LEU A 17 1.949 1.152 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.101 -0.540 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.597 -0.112 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.890 0.579 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.160 1.033 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.842 2.124 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.682 2.712 -2.231 1.00 0.00 H new ATOM 290 N HIS A 18 2.326 4.126 2.721 1.00 0.00 N ATOM 291 CA HIS A 18 2.290 5.219 3.756 1.00 0.00 C ATOM 292 C HIS A 18 3.624 5.996 3.839 1.00 0.00 C ATOM 293 O HIS A 18 3.641 7.113 4.326 1.00 0.00 O ATOM 294 CB HIS A 18 1.998 4.525 5.101 1.00 0.00 C ATOM 295 CG HIS A 18 0.530 4.206 5.211 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.417 5.152 5.596 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.195 3.074 4.940 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.618 4.545 5.521 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.516 3.329 5.125 1.00 0.00 N ATOM 0 H HIS A 18 2.355 3.180 3.103 1.00 0.00 H new ATOM 0 HA HIS A 18 1.529 5.954 3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.584 3.609 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.301 5.171 5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.220 2.127 4.628 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.554 5.025 5.765 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.285 2.675 4.977 1.00 0.00 H new ATOM 307 N LEU A 19 4.740 5.421 3.386 1.00 0.00 N ATOM 308 CA LEU A 19 6.064 6.141 3.461 1.00 0.00 C ATOM 309 C LEU A 19 5.990 7.468 2.674 1.00 0.00 C ATOM 310 O LEU A 19 5.737 7.459 1.479 1.00 0.00 O ATOM 311 CB LEU A 19 7.117 5.200 2.836 1.00 0.00 C ATOM 312 CG LEU A 19 7.548 4.109 3.837 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.478 3.111 3.142 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.277 4.731 5.036 1.00 0.00 C ATOM 0 H LEU A 19 4.781 4.490 2.972 1.00 0.00 H new ATOM 0 HA LEU A 19 6.324 6.384 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.707 4.734 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.988 5.778 2.526 1.00 0.00 H new ATOM 0 HG LEU A 19 6.655 3.596 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.781 2.341 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.955 2.648 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.361 3.633 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.573 3.944 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.164 5.260 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.613 5.431 5.543 1.00 0.00 H new ATOM 326 N PRO A 20 6.193 8.574 3.381 1.00 0.00 N ATOM 327 CA PRO A 20 6.122 9.932 2.754 1.00 0.00 C ATOM 328 C PRO A 20 7.231 10.197 1.710 1.00 0.00 C ATOM 329 O PRO A 20 7.092 11.106 0.908 1.00 0.00 O ATOM 330 CB PRO A 20 6.263 10.883 3.944 1.00 0.00 C ATOM 331 CG PRO A 20 6.978 10.089 4.983 1.00 0.00 C ATOM 332 CD PRO A 20 6.504 8.674 4.822 1.00 0.00 C ATOM 0 HA PRO A 20 5.197 10.055 2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.825 11.776 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.289 11.216 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.058 10.156 4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.755 10.464 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.271 7.958 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.627 8.473 5.437 1.00 0.00 H new ATOM 340 N ASN A 21 8.323 9.442 1.703 1.00 0.00 N ATOM 341 CA ASN A 21 9.403 9.706 0.696 1.00 0.00 C ATOM 342 C ASN A 21 9.475 8.598 -0.376 1.00 0.00 C ATOM 343 O ASN A 21 10.367 8.615 -1.209 1.00 0.00 O ATOM 344 CB ASN A 21 10.699 9.806 1.514 1.00 0.00 C ATOM 345 CG ASN A 21 10.649 11.053 2.407 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.511 12.157 1.918 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.747 10.927 3.702 1.00 0.00 N ATOM 0 H ASN A 21 8.503 8.669 2.344 1.00 0.00 H new ATOM 0 HA ASN A 21 9.215 10.621 0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.825 8.913 2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.559 9.859 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.708 11.753 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.863 10.003 4.117 1.00 0.00 H new ATOM 354 N LEU A 22 8.522 7.669 -0.405 1.00 0.00 N ATOM 355 CA LEU A 22 8.535 6.618 -1.472 1.00 0.00 C ATOM 356 C LEU A 22 7.789 7.151 -2.693 1.00 0.00 C ATOM 357 O LEU A 22 6.716 7.726 -2.575 1.00 0.00 O ATOM 358 CB LEU A 22 7.830 5.363 -0.910 1.00 0.00 C ATOM 359 CG LEU A 22 8.796 4.449 -0.112 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.396 2.987 -0.318 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.242 4.605 -0.583 1.00 0.00 C ATOM 0 H LEU A 22 7.751 7.604 0.260 1.00 0.00 H new ATOM 0 HA LEU A 22 9.553 6.363 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.008 5.670 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.394 4.796 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 22 8.729 4.739 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.073 2.342 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.376 2.836 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.453 2.740 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.888 3.948 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.312 4.339 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.559 5.639 -0.448 1.00 0.00 H new ATOM 373 N ASN A 23 8.353 6.962 -3.858 1.00 0.00 N ATOM 374 CA ASN A 23 7.695 7.454 -5.115 1.00 0.00 C ATOM 375 C ASN A 23 7.070 6.295 -5.892 1.00 0.00 C ATOM 376 O ASN A 23 7.054 5.171 -5.435 1.00 0.00 O ATOM 377 CB ASN A 23 8.777 8.176 -5.950 1.00 0.00 C ATOM 378 CG ASN A 23 10.052 7.328 -6.095 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.072 6.367 -6.831 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.121 7.650 -5.414 1.00 0.00 N ATOM 0 H ASN A 23 9.245 6.487 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 23 6.883 8.142 -4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.379 8.405 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.025 9.127 -5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.970 7.092 -5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.106 8.459 -4.793 1.00 0.00 H new ATOM 387 N GLU A 24 6.548 6.582 -7.059 1.00 0.00 N ATOM 388 CA GLU A 24 5.895 5.523 -7.899 1.00 0.00 C ATOM 389 C GLU A 24 6.890 4.407 -8.244 1.00 0.00 C ATOM 390 O GLU A 24 6.534 3.246 -8.232 1.00 0.00 O ATOM 391 CB GLU A 24 5.419 6.255 -9.171 1.00 0.00 C ATOM 392 CG GLU A 24 4.693 5.284 -10.117 1.00 0.00 C ATOM 393 CD GLU A 24 3.401 4.784 -9.465 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.472 3.812 -8.737 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.362 5.373 -9.710 1.00 0.00 O ATOM 0 H GLU A 24 6.545 7.515 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 24 5.069 5.040 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.751 7.072 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.273 6.699 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.465 5.783 -11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.341 4.440 -10.352 1.00 0.00 H new ATOM 402 N GLU A 25 8.127 4.747 -8.537 1.00 0.00 N ATOM 403 CA GLU A 25 9.143 3.693 -8.872 1.00 0.00 C ATOM 404 C GLU A 25 9.502 2.857 -7.625 1.00 0.00 C ATOM 405 O GLU A 25 9.568 1.648 -7.700 1.00 0.00 O ATOM 406 CB GLU A 25 10.369 4.456 -9.401 1.00 0.00 C ATOM 407 CG GLU A 25 11.449 3.468 -9.878 1.00 0.00 C ATOM 408 CD GLU A 25 10.920 2.626 -11.050 1.00 0.00 C ATOM 409 OE1 GLU A 25 10.797 3.166 -12.138 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.654 1.454 -10.837 1.00 0.00 O ATOM 0 H GLU A 25 8.475 5.705 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 25 8.763 2.987 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.073 5.107 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.773 5.096 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.340 4.014 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.743 2.815 -9.056 1.00 0.00 H new ATOM 417 N GLN A 26 9.732 3.495 -6.491 1.00 0.00 N ATOM 418 CA GLN A 26 10.095 2.735 -5.238 1.00 0.00 C ATOM 419 C GLN A 26 8.879 1.998 -4.660 1.00 0.00 C ATOM 420 O GLN A 26 8.948 0.813 -4.406 1.00 0.00 O ATOM 421 CB GLN A 26 10.619 3.787 -4.243 1.00 0.00 C ATOM 422 CG GLN A 26 11.883 4.472 -4.799 1.00 0.00 C ATOM 423 CD GLN A 26 13.116 3.557 -4.666 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.042 2.363 -4.878 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.266 4.078 -4.324 1.00 0.00 N ATOM 0 H GLN A 26 9.684 4.508 -6.379 1.00 0.00 H new ATOM 0 HA GLN A 26 10.844 1.971 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.847 4.533 -4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.845 3.312 -3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.729 4.730 -5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.060 5.405 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.339 5.079 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.090 3.483 -4.238 1.00 0.00 H new ATOM 434 N ARG A 27 7.779 2.692 -4.450 1.00 0.00 N ATOM 435 CA ARG A 27 6.551 2.043 -3.870 1.00 0.00 C ATOM 436 C ARG A 27 5.994 0.912 -4.773 1.00 0.00 C ATOM 437 O ARG A 27 5.738 -0.176 -4.300 1.00 0.00 O ATOM 438 CB ARG A 27 5.514 3.180 -3.764 1.00 0.00 C ATOM 439 CG ARG A 27 4.113 2.613 -3.485 1.00 0.00 C ATOM 440 CD ARG A 27 3.063 3.692 -3.738 1.00 0.00 C ATOM 441 NE ARG A 27 3.094 3.947 -5.217 1.00 0.00 N ATOM 442 CZ ARG A 27 3.102 5.177 -5.676 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.008 6.032 -5.261 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.199 5.553 -6.549 1.00 0.00 N ATOM 0 H ARG A 27 7.679 3.686 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 27 6.781 1.575 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.799 3.866 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.501 3.755 -4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.925 1.751 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.050 2.264 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.075 3.360 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.291 4.600 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 27 3.109 3.162 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.709 5.741 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.011 6.987 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.493 4.891 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.203 6.508 -6.907 1.00 0.00 H new ATOM 458 N ASN A 28 5.781 1.175 -6.057 1.00 0.00 N ATOM 459 CA ASN A 28 5.205 0.122 -6.974 1.00 0.00 C ATOM 460 C ASN A 28 6.167 -1.053 -7.134 1.00 0.00 C ATOM 461 O ASN A 28 5.750 -2.193 -7.076 1.00 0.00 O ATOM 462 CB ASN A 28 4.977 0.823 -8.311 1.00 0.00 C ATOM 463 CG ASN A 28 4.352 -0.141 -9.331 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.543 -0.983 -8.990 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.706 -0.052 -10.582 1.00 0.00 N ATOM 0 H ASN A 28 5.981 2.070 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 28 4.280 -0.293 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.323 1.684 -8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.924 1.202 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.305 -0.687 -11.272 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.384 0.653 -10.871 1.00 0.00 H new ATOM 472 N ALA A 29 7.448 -0.782 -7.306 1.00 0.00 N ATOM 473 CA ALA A 29 8.450 -1.894 -7.431 1.00 0.00 C ATOM 474 C ALA A 29 8.406 -2.749 -6.167 1.00 0.00 C ATOM 475 O ALA A 29 8.493 -3.961 -6.227 1.00 0.00 O ATOM 476 CB ALA A 29 9.791 -1.208 -7.536 1.00 0.00 C ATOM 0 H ALA A 29 7.838 0.159 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 29 8.254 -2.540 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.577 -1.958 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.801 -0.560 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.965 -0.611 -6.641 1.00 0.00 H new ATOM 482 N PHE A 30 8.223 -2.110 -5.026 1.00 0.00 N ATOM 483 CA PHE A 30 8.105 -2.856 -3.740 1.00 0.00 C ATOM 484 C PHE A 30 6.867 -3.708 -3.770 1.00 0.00 C ATOM 485 O PHE A 30 6.918 -4.858 -3.452 1.00 0.00 O ATOM 486 CB PHE A 30 7.991 -1.793 -2.654 1.00 0.00 C ATOM 487 CG PHE A 30 9.369 -1.285 -2.295 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.514 -2.062 -2.558 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.503 -0.050 -1.672 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.757 -1.607 -2.194 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.762 0.409 -1.317 1.00 0.00 C ATOM 492 CZ PHE A 30 11.890 -0.382 -1.575 1.00 0.00 C ATOM 0 H PHE A 30 8.151 -1.096 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 30 8.957 -3.512 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.368 -0.969 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.505 -2.210 -1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.414 -3.019 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.629 0.550 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.631 -2.209 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.873 1.373 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.870 -0.030 -1.287 1.00 0.00 H new ATOM 502 N ILE A 31 5.776 -3.147 -4.201 1.00 0.00 N ATOM 503 CA ILE A 31 4.511 -3.926 -4.317 1.00 0.00 C ATOM 504 C ILE A 31 4.706 -5.065 -5.345 1.00 0.00 C ATOM 505 O ILE A 31 4.106 -6.104 -5.210 1.00 0.00 O ATOM 506 CB ILE A 31 3.475 -2.880 -4.736 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.312 -1.886 -3.580 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.142 -3.540 -5.020 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.624 -0.624 -4.058 1.00 0.00 C ATOM 0 H ILE A 31 5.704 -2.169 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 31 4.194 -4.426 -3.402 1.00 0.00 H new ATOM 0 HB ILE A 31 3.809 -2.373 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.731 -2.343 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.289 -1.639 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.417 -2.782 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.259 -4.265 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.789 -4.048 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.517 0.070 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.221 -0.159 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.639 -0.874 -4.451 1.00 0.00 H new ATOM 521 N GLN A 32 5.586 -4.901 -6.333 1.00 0.00 N ATOM 522 CA GLN A 32 5.854 -6.018 -7.309 1.00 0.00 C ATOM 523 C GLN A 32 6.686 -7.117 -6.605 1.00 0.00 C ATOM 524 O GLN A 32 6.329 -8.280 -6.631 1.00 0.00 O ATOM 525 CB GLN A 32 6.625 -5.378 -8.477 1.00 0.00 C ATOM 526 CG GLN A 32 5.668 -4.505 -9.301 1.00 0.00 C ATOM 527 CD GLN A 32 6.451 -3.723 -10.360 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.816 -2.586 -10.142 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.724 -4.284 -11.509 1.00 0.00 N ATOM 0 H GLN A 32 6.120 -4.048 -6.497 1.00 0.00 H new ATOM 0 HA GLN A 32 4.942 -6.491 -7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.449 -4.774 -8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.062 -6.153 -9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.915 -5.130 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.138 -3.814 -8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.419 -5.239 -11.695 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.242 -3.766 -12.219 1.00 0.00 H new ATOM 538 N SER A 33 7.761 -6.732 -5.929 1.00 0.00 N ATOM 539 CA SER A 33 8.613 -7.719 -5.154 1.00 0.00 C ATOM 540 C SER A 33 7.839 -8.272 -3.932 1.00 0.00 C ATOM 541 O SER A 33 8.052 -9.389 -3.506 1.00 0.00 O ATOM 542 CB SER A 33 9.851 -6.926 -4.706 1.00 0.00 C ATOM 543 OG SER A 33 9.454 -5.703 -4.104 1.00 0.00 O ATOM 0 H SER A 33 8.087 -5.767 -5.881 1.00 0.00 H new ATOM 0 HA SER A 33 8.886 -8.582 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.434 -7.516 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.495 -6.727 -5.563 1.00 0.00 H new ATOM 0 HG SER A 33 8.483 -5.705 -3.969 1.00 0.00 H new ATOM 549 N LEU A 34 6.958 -7.470 -3.380 1.00 0.00 N ATOM 550 CA LEU A 34 6.138 -7.856 -2.183 1.00 0.00 C ATOM 551 C LEU A 34 4.946 -8.753 -2.584 1.00 0.00 C ATOM 552 O LEU A 34 4.674 -9.742 -1.925 1.00 0.00 O ATOM 553 CB LEU A 34 5.677 -6.488 -1.647 1.00 0.00 C ATOM 554 CG LEU A 34 4.927 -6.589 -0.330 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.882 -6.950 0.789 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.314 -5.230 -0.026 1.00 0.00 C ATOM 0 H LEU A 34 6.767 -6.529 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 34 6.684 -8.444 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.546 -5.844 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.036 -6.011 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 34 4.158 -7.358 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.333 -7.019 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.351 -7.909 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.650 -6.181 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.770 -5.279 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.104 -4.483 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.628 -4.953 -0.827 1.00 0.00 H new ATOM 568 N LYS A 35 4.239 -8.412 -3.658 1.00 0.00 N ATOM 569 CA LYS A 35 3.059 -9.246 -4.108 1.00 0.00 C ATOM 570 C LYS A 35 3.514 -10.648 -4.554 1.00 0.00 C ATOM 571 O LYS A 35 2.788 -11.613 -4.388 1.00 0.00 O ATOM 572 CB LYS A 35 2.389 -8.481 -5.283 1.00 0.00 C ATOM 573 CG LYS A 35 1.360 -7.479 -4.782 1.00 0.00 C ATOM 574 CD LYS A 35 0.270 -8.217 -3.990 1.00 0.00 C ATOM 575 CE LYS A 35 -1.088 -7.982 -4.646 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.746 -9.325 -4.693 1.00 0.00 N ATOM 0 H LYS A 35 4.431 -7.595 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 35 2.354 -9.391 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.152 -7.961 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.908 -9.192 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.841 -6.733 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.916 -6.946 -5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.490 -9.284 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.253 -7.863 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.684 -7.273 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.974 -7.566 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.273 -9.422 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.021 -10.069 -4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.402 -9.419 -3.891 1.00 0.00 H new ATOM 590 N ASP A 36 4.708 -10.765 -5.113 1.00 0.00 N ATOM 591 CA ASP A 36 5.213 -12.107 -5.571 1.00 0.00 C ATOM 592 C ASP A 36 6.095 -12.802 -4.505 1.00 0.00 C ATOM 593 O ASP A 36 6.189 -14.019 -4.503 1.00 0.00 O ATOM 594 CB ASP A 36 6.024 -11.815 -6.842 1.00 0.00 C ATOM 595 CG ASP A 36 5.071 -11.462 -7.994 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.555 -12.379 -8.611 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.880 -10.282 -8.245 1.00 0.00 O ATOM 0 H ASP A 36 5.350 -9.988 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 36 4.386 -12.794 -5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.715 -10.991 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.626 -12.684 -7.108 1.00 0.00 H new ATOM 602 N ASP A 37 6.743 -12.061 -3.612 1.00 0.00 N ATOM 603 CA ASP A 37 7.616 -12.716 -2.572 1.00 0.00 C ATOM 604 C ASP A 37 7.141 -12.386 -1.137 1.00 0.00 C ATOM 605 O ASP A 37 7.352 -11.282 -0.655 1.00 0.00 O ATOM 606 CB ASP A 37 9.031 -12.168 -2.814 1.00 0.00 C ATOM 607 CG ASP A 37 10.071 -13.182 -2.318 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.067 -13.483 -1.133 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.855 -13.642 -3.130 1.00 0.00 O ATOM 0 H ASP A 37 6.702 -11.043 -3.563 1.00 0.00 H new ATOM 0 HA ASP A 37 7.578 -13.802 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.178 -11.971 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.158 -11.219 -2.294 1.00 0.00 H new ATOM 614 N PRO A 38 6.513 -13.364 -0.495 1.00 0.00 N ATOM 615 CA PRO A 38 6.012 -13.185 0.903 1.00 0.00 C ATOM 616 C PRO A 38 7.159 -13.109 1.936 1.00 0.00 C ATOM 617 O PRO A 38 7.099 -12.314 2.857 1.00 0.00 O ATOM 618 CB PRO A 38 5.167 -14.437 1.138 1.00 0.00 C ATOM 619 CG PRO A 38 5.729 -15.459 0.211 1.00 0.00 C ATOM 620 CD PRO A 38 6.197 -14.713 -1.003 1.00 0.00 C ATOM 0 HA PRO A 38 5.462 -12.252 1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.230 -14.767 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.114 -14.248 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.554 -15.997 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.975 -16.200 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.072 -15.186 -1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.426 -14.679 -1.772 1.00 0.00 H new ATOM 628 N SER A 39 8.184 -13.939 1.805 1.00 0.00 N ATOM 629 CA SER A 39 9.323 -13.928 2.800 1.00 0.00 C ATOM 630 C SER A 39 10.126 -12.610 2.745 1.00 0.00 C ATOM 631 O SER A 39 10.662 -12.177 3.751 1.00 0.00 O ATOM 632 CB SER A 39 10.215 -15.131 2.438 1.00 0.00 C ATOM 633 OG SER A 39 10.924 -14.878 1.229 1.00 0.00 O ATOM 0 H SER A 39 8.280 -14.622 1.053 1.00 0.00 H new ATOM 0 HA SER A 39 8.943 -14.000 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.920 -15.325 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.602 -16.026 2.327 1.00 0.00 H new ATOM 0 HG SER A 39 10.375 -14.321 0.638 1.00 0.00 H new ATOM 639 N GLN A 40 10.206 -11.972 1.591 1.00 0.00 N ATOM 640 CA GLN A 40 10.968 -10.681 1.481 1.00 0.00 C ATOM 641 C GLN A 40 10.099 -9.464 1.847 1.00 0.00 C ATOM 642 O GLN A 40 10.585 -8.356 1.812 1.00 0.00 O ATOM 643 CB GLN A 40 11.391 -10.586 0.004 1.00 0.00 C ATOM 644 CG GLN A 40 12.882 -10.904 -0.139 1.00 0.00 C ATOM 645 CD GLN A 40 13.113 -12.415 0.013 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.232 -12.913 1.114 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.184 -13.170 -1.050 1.00 0.00 N ATOM 0 H GLN A 40 9.776 -12.292 0.723 1.00 0.00 H new ATOM 0 HA GLN A 40 11.813 -10.674 2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.804 -11.282 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.187 -9.585 -0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.242 -10.569 -1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.452 -10.363 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.085 -12.756 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.339 -14.174 -0.953 1.00 0.00 H new ATOM 656 N SER A 41 8.826 -9.644 2.166 1.00 0.00 N ATOM 657 CA SER A 41 7.940 -8.467 2.480 1.00 0.00 C ATOM 658 C SER A 41 8.481 -7.594 3.624 1.00 0.00 C ATOM 659 O SER A 41 8.506 -6.386 3.490 1.00 0.00 O ATOM 660 CB SER A 41 6.568 -9.056 2.848 1.00 0.00 C ATOM 661 OG SER A 41 6.667 -9.830 4.040 1.00 0.00 O ATOM 0 H SER A 41 8.368 -10.553 2.221 1.00 0.00 H new ATOM 0 HA SER A 41 7.887 -7.803 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.845 -8.252 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.201 -9.678 2.032 1.00 0.00 H new ATOM 0 HG SER A 41 6.808 -10.772 3.808 1.00 0.00 H new ATOM 667 N ALA A 42 8.927 -8.168 4.731 1.00 0.00 N ATOM 668 CA ALA A 42 9.481 -7.307 5.834 1.00 0.00 C ATOM 669 C ALA A 42 10.709 -6.556 5.324 1.00 0.00 C ATOM 670 O ALA A 42 10.811 -5.360 5.492 1.00 0.00 O ATOM 671 CB ALA A 42 9.915 -8.243 6.930 1.00 0.00 C ATOM 0 H ALA A 42 8.930 -9.172 4.912 1.00 0.00 H new ATOM 0 HA ALA A 42 8.739 -6.588 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.327 -7.667 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.057 -8.818 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.676 -8.923 6.548 1.00 0.00 H new ATOM 677 N ASN A 43 11.620 -7.262 4.663 1.00 0.00 N ATOM 678 CA ASN A 43 12.831 -6.602 4.074 1.00 0.00 C ATOM 679 C ASN A 43 12.374 -5.527 3.109 1.00 0.00 C ATOM 680 O ASN A 43 12.956 -4.480 3.048 1.00 0.00 O ATOM 681 CB ASN A 43 13.564 -7.668 3.269 1.00 0.00 C ATOM 682 CG ASN A 43 14.825 -8.126 4.008 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.899 -8.143 3.440 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.749 -8.506 5.258 1.00 0.00 N ATOM 0 H ASN A 43 11.567 -8.269 4.511 1.00 0.00 H new ATOM 0 HA ASN A 43 13.462 -6.170 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.906 -8.520 3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.833 -7.272 2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.588 -8.814 5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.851 -8.494 5.741 1.00 0.00 H new ATOM 691 N LEU A 44 11.320 -5.802 2.365 1.00 0.00 N ATOM 692 CA LEU A 44 10.772 -4.811 1.396 1.00 0.00 C ATOM 693 C LEU A 44 10.278 -3.608 2.117 1.00 0.00 C ATOM 694 O LEU A 44 10.551 -2.495 1.705 1.00 0.00 O ATOM 695 CB LEU A 44 9.655 -5.513 0.664 1.00 0.00 C ATOM 696 CG LEU A 44 10.307 -6.385 -0.374 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.248 -7.262 -1.012 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.997 -5.464 -1.385 1.00 0.00 C ATOM 0 H LEU A 44 10.815 -6.688 2.395 1.00 0.00 H new ATOM 0 HA LEU A 44 11.532 -4.465 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.056 -6.110 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.983 -4.792 0.199 1.00 0.00 H new ATOM 0 HG LEU A 44 11.057 -7.048 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.709 -7.899 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.782 -7.884 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.490 -6.635 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.481 -6.066 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.256 -4.812 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.745 -4.858 -0.874 1.00 0.00 H new ATOM 710 N LEU A 45 9.616 -3.798 3.227 1.00 0.00 N ATOM 711 CA LEU A 45 9.218 -2.609 3.989 1.00 0.00 C ATOM 712 C LEU A 45 10.502 -1.976 4.519 1.00 0.00 C ATOM 713 O LEU A 45 10.704 -0.827 4.323 1.00 0.00 O ATOM 714 CB LEU A 45 8.306 -3.069 5.108 1.00 0.00 C ATOM 715 CG LEU A 45 8.152 -1.956 6.153 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.828 -0.623 5.461 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.027 -2.336 7.111 1.00 0.00 C ATOM 0 H LEU A 45 9.346 -4.700 3.619 1.00 0.00 H new ATOM 0 HA LEU A 45 8.680 -1.872 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.330 -3.338 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.715 -3.964 5.576 1.00 0.00 H new ATOM 0 HG LEU A 45 9.084 -1.839 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.721 0.160 6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.636 -0.362 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.897 -0.720 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.907 -1.553 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.098 -2.451 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.272 -3.276 7.605 1.00 0.00 H new ATOM 729 N ALA A 46 11.384 -2.738 5.138 1.00 0.00 N ATOM 730 CA ALA A 46 12.682 -2.153 5.645 1.00 0.00 C ATOM 731 C ALA A 46 13.421 -1.387 4.550 1.00 0.00 C ATOM 732 O ALA A 46 13.882 -0.301 4.791 1.00 0.00 O ATOM 733 CB ALA A 46 13.548 -3.345 6.018 1.00 0.00 C ATOM 0 H ALA A 46 11.264 -3.735 5.314 1.00 0.00 H new ATOM 0 HA ALA A 46 12.483 -1.469 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.508 -2.993 6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.048 -3.931 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.710 -3.967 5.138 1.00 0.00 H new ATOM 739 N GLU A 47 13.528 -1.935 3.351 1.00 0.00 N ATOM 740 CA GLU A 47 14.223 -1.193 2.255 1.00 0.00 C ATOM 741 C GLU A 47 13.358 0.011 1.879 1.00 0.00 C ATOM 742 O GLU A 47 13.881 1.078 1.645 1.00 0.00 O ATOM 743 CB GLU A 47 14.496 -2.165 1.093 1.00 0.00 C ATOM 744 CG GLU A 47 13.252 -2.824 0.561 1.00 0.00 C ATOM 745 CD GLU A 47 13.675 -4.023 -0.299 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.801 -5.107 0.251 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.885 -3.841 -1.484 1.00 0.00 O ATOM 0 H GLU A 47 13.166 -2.853 3.094 1.00 0.00 H new ATOM 0 HA GLU A 47 15.195 -0.805 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.986 -1.624 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.191 -2.935 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.614 -3.151 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.671 -2.117 -0.032 1.00 0.00 H new ATOM 754 N ALA A 48 12.036 -0.122 1.903 1.00 0.00 N ATOM 755 CA ALA A 48 11.168 1.061 1.660 1.00 0.00 C ATOM 756 C ALA A 48 11.347 2.077 2.819 1.00 0.00 C ATOM 757 O ALA A 48 11.418 3.270 2.592 1.00 0.00 O ATOM 758 CB ALA A 48 9.764 0.478 1.659 1.00 0.00 C ATOM 0 H ALA A 48 11.541 -0.996 2.080 1.00 0.00 H new ATOM 0 HA ALA A 48 11.396 1.593 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.040 1.274 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.680 -0.267 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.564 0.008 2.622 1.00 0.00 H new ATOM 764 N LYS A 49 11.482 1.585 4.047 1.00 0.00 N ATOM 765 CA LYS A 49 11.727 2.449 5.250 1.00 0.00 C ATOM 766 C LYS A 49 13.107 3.094 5.075 1.00 0.00 C ATOM 767 O LYS A 49 13.306 4.271 5.306 1.00 0.00 O ATOM 768 CB LYS A 49 11.750 1.456 6.437 1.00 0.00 C ATOM 769 CG LYS A 49 10.361 0.863 6.703 1.00 0.00 C ATOM 770 CD LYS A 49 9.362 1.955 7.035 1.00 0.00 C ATOM 771 CE LYS A 49 9.663 2.492 8.430 1.00 0.00 C ATOM 772 NZ LYS A 49 8.485 3.336 8.802 1.00 0.00 N ATOM 0 H LYS A 49 11.429 0.589 4.260 1.00 0.00 H new ATOM 0 HA LYS A 49 10.986 3.235 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.455 0.652 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.106 1.966 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.023 0.310 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.416 0.152 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.423 2.758 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.346 1.562 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.802 1.678 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.582 3.079 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.630 3.735 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.381 4.109 8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.625 2.752 8.800 1.00 0.00 H new ATOM 786 N LYS A 50 14.027 2.284 4.603 1.00 0.00 N ATOM 787 CA LYS A 50 15.424 2.714 4.299 1.00 0.00 C ATOM 788 C LYS A 50 15.379 3.787 3.197 1.00 0.00 C ATOM 789 O LYS A 50 16.098 4.767 3.246 1.00 0.00 O ATOM 790 CB LYS A 50 16.085 1.394 3.828 1.00 0.00 C ATOM 791 CG LYS A 50 17.275 1.610 2.885 1.00 0.00 C ATOM 792 CD LYS A 50 17.361 0.408 1.926 1.00 0.00 C ATOM 793 CE LYS A 50 17.854 -0.834 2.689 1.00 0.00 C ATOM 794 NZ LYS A 50 18.111 -1.870 1.641 1.00 0.00 N ATOM 0 H LYS A 50 13.853 1.298 4.409 1.00 0.00 H new ATOM 0 HA LYS A 50 15.971 3.163 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.420 0.833 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.337 0.782 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.150 2.535 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.199 1.706 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.383 0.211 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.040 0.635 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.760 -0.614 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.107 -1.177 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.450 -2.744 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.230 -2.067 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.832 -1.521 0.977 1.00 0.00 H new ATOM 808 N LEU A 51 14.506 3.600 2.222 1.00 0.00 N ATOM 809 CA LEU A 51 14.354 4.596 1.116 1.00 0.00 C ATOM 810 C LEU A 51 13.683 5.863 1.631 1.00 0.00 C ATOM 811 O LEU A 51 13.995 6.946 1.196 1.00 0.00 O ATOM 812 CB LEU A 51 13.444 3.919 0.083 1.00 0.00 C ATOM 813 CG LEU A 51 14.245 3.349 -1.089 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.620 2.850 -0.644 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.472 2.177 -1.671 1.00 0.00 C ATOM 0 H LEU A 51 13.890 2.790 2.152 1.00 0.00 H new ATOM 0 HA LEU A 51 15.319 4.881 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.881 3.118 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.717 4.640 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 51 14.390 4.140 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.159 2.453 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.185 3.676 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.498 2.065 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.027 1.756 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.337 1.414 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.497 2.520 -2.017 1.00 0.00 H new ATOM 827 N ASN A 52 12.760 5.721 2.556 1.00 0.00 N ATOM 828 CA ASN A 52 12.051 6.907 3.119 1.00 0.00 C ATOM 829 C ASN A 52 13.063 7.871 3.764 1.00 0.00 C ATOM 830 O ASN A 52 12.989 9.066 3.565 1.00 0.00 O ATOM 831 CB ASN A 52 11.090 6.338 4.165 1.00 0.00 C ATOM 832 CG ASN A 52 10.129 7.432 4.619 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.252 7.827 3.881 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.264 7.946 5.806 1.00 0.00 N ATOM 0 H ASN A 52 12.469 4.824 2.945 1.00 0.00 H new ATOM 0 HA ASN A 52 11.520 7.476 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.533 5.500 3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.649 5.953 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.631 8.683 6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.003 7.612 6.425 1.00 0.00 H new ATOM 841 N ASP A 53 14.017 7.343 4.511 1.00 0.00 N ATOM 842 CA ASP A 53 15.061 8.215 5.157 1.00 0.00 C ATOM 843 C ASP A 53 16.130 8.639 4.129 1.00 0.00 C ATOM 844 O ASP A 53 16.586 9.769 4.139 1.00 0.00 O ATOM 845 CB ASP A 53 15.696 7.365 6.268 1.00 0.00 C ATOM 846 CG ASP A 53 14.635 6.945 7.303 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.995 7.821 7.868 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.487 5.755 7.514 1.00 0.00 O ATOM 0 H ASP A 53 14.116 6.345 4.700 1.00 0.00 H new ATOM 0 HA ASP A 53 14.620 9.130 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.160 6.479 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.487 7.931 6.759 1.00 0.00 H new ATOM 853 N ALA A 54 16.523 7.737 3.242 1.00 0.00 N ATOM 854 CA ALA A 54 17.557 8.076 2.195 1.00 0.00 C ATOM 855 C ALA A 54 16.993 9.100 1.196 1.00 0.00 C ATOM 856 O ALA A 54 17.660 10.055 0.838 1.00 0.00 O ATOM 857 CB ALA A 54 17.869 6.750 1.490 1.00 0.00 C ATOM 0 H ALA A 54 16.171 6.781 3.200 1.00 0.00 H new ATOM 0 HA ALA A 54 18.450 8.522 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.615 6.918 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.255 6.034 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.959 6.355 1.039 1.00 0.00 H new ATOM 863 N GLN A 55 15.756 8.914 0.774 1.00 0.00 N ATOM 864 CA GLN A 55 15.099 9.877 -0.175 1.00 0.00 C ATOM 865 C GLN A 55 14.410 11.032 0.597 1.00 0.00 C ATOM 866 O GLN A 55 13.757 11.869 -0.004 1.00 0.00 O ATOM 867 CB GLN A 55 14.046 9.060 -0.938 1.00 0.00 C ATOM 868 CG GLN A 55 14.709 7.909 -1.718 1.00 0.00 C ATOM 869 CD GLN A 55 13.637 7.159 -2.509 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.722 7.042 -3.714 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.619 6.647 -1.874 1.00 0.00 N ATOM 0 H GLN A 55 15.170 8.127 1.051 1.00 0.00 H new ATOM 0 HA GLN A 55 15.832 10.329 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.314 8.657 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.505 9.708 -1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.469 8.301 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.213 7.230 -1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.548 6.745 -0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.894 6.148 -2.390 1.00 0.00 H new ATOM 880 N ALA A 56 14.542 11.080 1.919 1.00 0.00 N ATOM 881 CA ALA A 56 13.890 12.170 2.725 1.00 0.00 C ATOM 882 C ALA A 56 14.555 13.526 2.479 1.00 0.00 C ATOM 883 O ALA A 56 15.725 13.594 2.133 1.00 0.00 O ATOM 884 CB ALA A 56 14.066 11.789 4.197 1.00 0.00 C ATOM 0 H ALA A 56 15.076 10.406 2.467 1.00 0.00 H new ATOM 0 HA ALA A 56 12.841 12.263 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.608 12.551 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.587 10.828 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.128 11.716 4.429 1.00 0.00 H new ATOM 890 N PRO A 57 13.779 14.571 2.691 1.00 0.00 N ATOM 891 CA PRO A 57 14.295 15.951 2.514 1.00 0.00 C ATOM 892 C PRO A 57 15.316 16.323 3.614 1.00 0.00 C ATOM 893 O PRO A 57 16.224 17.099 3.373 1.00 0.00 O ATOM 894 CB PRO A 57 13.038 16.815 2.601 1.00 0.00 C ATOM 895 CG PRO A 57 12.068 16.008 3.402 1.00 0.00 C ATOM 896 CD PRO A 57 12.362 14.566 3.107 1.00 0.00 C ATOM 0 HA PRO A 57 14.834 16.082 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.248 17.770 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.643 17.037 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.177 16.216 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.042 16.257 3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.205 13.939 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.716 14.179 2.319 1.00 0.00 H new ATOM 904 N LYS A 58 15.174 15.771 4.809 1.00 0.00 N ATOM 905 CA LYS A 58 16.130 16.077 5.923 1.00 0.00 C ATOM 906 C LYS A 58 16.651 14.772 6.559 1.00 0.00 C ATOM 907 O LYS A 58 15.847 13.892 6.834 1.00 0.00 O ATOM 908 CB LYS A 58 15.315 16.902 6.934 1.00 0.00 C ATOM 909 CG LYS A 58 16.234 17.457 8.026 1.00 0.00 C ATOM 910 CD LYS A 58 17.008 18.657 7.475 1.00 0.00 C ATOM 911 CE LYS A 58 17.849 19.289 8.592 1.00 0.00 C ATOM 912 NZ LYS A 58 18.720 20.296 7.915 1.00 0.00 N ATOM 913 OXT LYS A 58 17.850 14.679 6.757 1.00 0.00 O ATOM 0 H LYS A 58 14.430 15.118 5.054 1.00 0.00 H new ATOM 0 HA LYS A 58 17.009 16.621 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.810 17.721 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.540 16.280 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.647 17.756 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.927 16.685 8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.654 18.340 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.315 19.393 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.214 19.760 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.446 18.537 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.321 20.766 8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.320 19.819 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.126 21.005 7.440 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 5.665 -11.138 -11.406 1.00 0.00 N ATOM 929 CA VAL B 1 5.439 -12.181 -12.466 1.00 0.00 C ATOM 930 C VAL B 1 4.006 -12.741 -12.355 1.00 0.00 C ATOM 931 O VAL B 1 3.208 -12.582 -13.263 1.00 0.00 O ATOM 932 CB VAL B 1 6.497 -13.283 -12.207 1.00 0.00 C ATOM 933 CG1 VAL B 1 6.226 -14.501 -13.103 1.00 0.00 C ATOM 934 CG2 VAL B 1 7.899 -12.743 -12.517 1.00 0.00 C ATOM 0 H1 VAL B 1 6.400 -10.474 -11.723 1.00 0.00 H new ATOM 0 H2 VAL B 1 4.780 -10.619 -11.235 1.00 0.00 H new ATOM 0 H3 VAL B 1 5.971 -11.599 -10.525 1.00 0.00 H new ATOM 0 HA VAL B 1 5.541 -11.775 -13.472 1.00 0.00 H new ATOM 0 HB VAL B 1 6.437 -13.580 -11.160 1.00 0.00 H new ATOM 0 HG11 VAL B 1 6.976 -15.268 -12.911 1.00 0.00 H new ATOM 0 HG12 VAL B 1 5.235 -14.900 -12.885 1.00 0.00 H new ATOM 0 HG13 VAL B 1 6.274 -14.201 -14.150 1.00 0.00 H new ATOM 0 HG21 VAL B 1 8.638 -13.523 -12.333 1.00 0.00 H new ATOM 0 HG22 VAL B 1 7.948 -12.436 -13.562 1.00 0.00 H new ATOM 0 HG23 VAL B 1 8.109 -11.886 -11.877 1.00 0.00 H new ATOM 946 N ASP B 2 3.682 -13.381 -11.249 1.00 0.00 N ATOM 947 CA ASP B 2 2.303 -13.950 -11.060 1.00 0.00 C ATOM 948 C ASP B 2 1.337 -12.847 -10.619 1.00 0.00 C ATOM 949 O ASP B 2 1.680 -12.019 -9.790 1.00 0.00 O ATOM 950 CB ASP B 2 2.439 -15.022 -9.966 1.00 0.00 C ATOM 951 CG ASP B 2 3.399 -16.130 -10.429 1.00 0.00 C ATOM 952 OD1 ASP B 2 2.971 -16.977 -11.196 1.00 0.00 O ATOM 953 OD2 ASP B 2 4.546 -16.103 -10.013 1.00 0.00 O ATOM 0 H ASP B 2 4.318 -13.534 -10.466 1.00 0.00 H new ATOM 0 HA ASP B 2 1.907 -14.374 -11.983 1.00 0.00 H new ATOM 0 HB2 ASP B 2 2.810 -14.569 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP B 2 1.462 -15.448 -9.740 1.00 0.00 H new ATOM 958 N ASN B 3 0.134 -12.835 -11.183 1.00 0.00 N ATOM 959 CA ASN B 3 -0.902 -11.790 -10.843 1.00 0.00 C ATOM 960 C ASN B 3 -0.352 -10.379 -11.117 1.00 0.00 C ATOM 961 O ASN B 3 0.240 -9.752 -10.250 1.00 0.00 O ATOM 962 CB ASN B 3 -1.253 -11.982 -9.352 1.00 0.00 C ATOM 963 CG ASN B 3 -2.006 -13.305 -9.158 1.00 0.00 C ATOM 964 OD1 ASN B 3 -1.466 -14.245 -8.611 1.00 0.00 O ATOM 965 ND2 ASN B 3 -3.237 -13.419 -9.581 1.00 0.00 N ATOM 0 H ASN B 3 -0.173 -13.518 -11.875 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.795 -11.900 -11.459 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.343 -11.980 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -1.866 -11.150 -9.004 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -3.742 -14.296 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -3.693 -12.631 -10.041 1.00 0.00 H new ATOM 972 N LYS B 4 -0.535 -9.886 -12.329 1.00 0.00 N ATOM 973 CA LYS B 4 -0.019 -8.515 -12.695 1.00 0.00 C ATOM 974 C LYS B 4 -0.930 -7.402 -12.109 1.00 0.00 C ATOM 975 O LYS B 4 -1.432 -6.544 -12.819 1.00 0.00 O ATOM 976 CB LYS B 4 -0.012 -8.488 -14.235 1.00 0.00 C ATOM 977 CG LYS B 4 0.835 -7.309 -14.734 1.00 0.00 C ATOM 978 CD LYS B 4 0.883 -7.311 -16.266 1.00 0.00 C ATOM 979 CE LYS B 4 -0.458 -6.814 -16.831 1.00 0.00 C ATOM 980 NZ LYS B 4 -0.264 -6.740 -18.312 1.00 0.00 N ATOM 0 H LYS B 4 -1.020 -10.375 -13.081 1.00 0.00 H new ATOM 0 HA LYS B 4 0.974 -8.328 -12.286 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.389 -9.425 -14.622 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -1.031 -8.399 -14.610 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.413 -6.370 -14.376 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.845 -7.379 -14.330 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.694 -6.671 -16.614 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.091 -8.317 -16.631 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -1.269 -7.496 -16.575 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.720 -5.839 -16.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -1.141 -6.407 -18.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 0.508 -6.078 -18.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -0.024 -7.683 -18.678 1.00 0.00 H new ATOM 994 N PHE B 5 -1.121 -7.414 -10.805 1.00 0.00 N ATOM 995 CA PHE B 5 -1.956 -6.388 -10.115 1.00 0.00 C ATOM 996 C PHE B 5 -1.084 -5.484 -9.212 1.00 0.00 C ATOM 997 O PHE B 5 -1.609 -4.700 -8.440 1.00 0.00 O ATOM 998 CB PHE B 5 -2.914 -7.211 -9.252 1.00 0.00 C ATOM 999 CG PHE B 5 -4.077 -7.712 -10.079 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -3.966 -8.908 -10.797 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.268 -6.978 -10.120 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.047 -9.368 -11.557 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -6.346 -7.437 -10.880 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.237 -8.632 -11.598 1.00 0.00 C ATOM 0 H PHE B 5 -0.719 -8.114 -10.181 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.466 -5.730 -10.818 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.383 -8.055 -8.813 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.283 -6.602 -8.427 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -3.047 -9.475 -10.765 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -5.353 -6.056 -9.564 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -4.963 -10.291 -12.112 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.264 -6.869 -10.913 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.071 -8.987 -12.184 1.00 0.00 H new ATOM 1014 N ASN B 6 0.238 -5.600 -9.286 1.00 0.00 N ATOM 1015 CA ASN B 6 1.135 -4.758 -8.409 1.00 0.00 C ATOM 1016 C ASN B 6 1.034 -3.285 -8.814 1.00 0.00 C ATOM 1017 O ASN B 6 0.978 -2.406 -7.970 1.00 0.00 O ATOM 1018 CB ASN B 6 2.587 -5.263 -8.582 1.00 0.00 C ATOM 1019 CG ASN B 6 2.691 -6.805 -8.707 1.00 0.00 C ATOM 1020 OD1 ASN B 6 3.549 -7.299 -9.410 1.00 0.00 O ATOM 1021 ND2 ASN B 6 1.860 -7.589 -8.070 1.00 0.00 N ATOM 0 H ASN B 6 0.727 -6.238 -9.913 1.00 0.00 H new ATOM 0 HA ASN B 6 0.831 -4.843 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.020 -4.804 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.182 -4.934 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN B 6 1.938 -8.601 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN B 6 1.134 -7.188 -7.476 1.00 0.00 H new ATOM 1028 N LYS B 7 0.970 -3.027 -10.105 1.00 0.00 N ATOM 1029 CA LYS B 7 0.822 -1.616 -10.609 1.00 0.00 C ATOM 1030 C LYS B 7 -0.491 -1.022 -10.090 1.00 0.00 C ATOM 1031 O LYS B 7 -0.578 0.153 -9.785 1.00 0.00 O ATOM 1032 CB LYS B 7 0.787 -1.709 -12.143 1.00 0.00 C ATOM 1033 CG LYS B 7 1.715 -0.650 -12.761 1.00 0.00 C ATOM 1034 CD LYS B 7 1.246 0.761 -12.376 1.00 0.00 C ATOM 1035 CE LYS B 7 2.231 1.805 -12.928 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.580 2.682 -11.767 1.00 0.00 N ATOM 0 H LYS B 7 1.014 -3.738 -10.835 1.00 0.00 H new ATOM 0 HA LYS B 7 1.639 -0.979 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.097 -2.704 -12.461 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.232 -1.563 -12.500 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.737 -0.807 -12.417 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.725 -0.754 -13.846 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.248 0.944 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.178 0.849 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.120 1.326 -13.339 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.779 2.383 -13.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.448 3.679 -12.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.963 2.454 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.572 2.524 -11.498 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.502 -1.849 -9.968 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.822 -1.387 -9.444 1.00 0.00 C ATOM 1052 C GLU B 8 -2.704 -0.956 -7.984 1.00 0.00 C ATOM 1053 O GLU B 8 -3.342 -0.012 -7.586 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.770 -2.580 -9.596 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.700 -2.353 -10.787 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.466 -3.644 -11.094 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.522 -3.839 -10.511 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.980 -4.418 -11.903 1.00 0.00 O ATOM 0 H GLU B 8 -1.465 -2.838 -10.214 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.191 -0.518 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.197 -3.496 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.355 -2.710 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.400 -1.547 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.123 -2.045 -11.659 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.862 -1.596 -7.201 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.690 -1.150 -5.773 1.00 0.00 C ATOM 1067 C LEU B 9 -0.852 0.130 -5.744 1.00 0.00 C ATOM 1068 O LEU B 9 -0.946 0.914 -4.821 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.968 -2.241 -4.975 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.492 -3.644 -5.310 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.481 -4.696 -4.800 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.859 -3.811 -4.618 1.00 0.00 C ATOM 0 H LEU B 9 -1.294 -2.395 -7.481 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.669 -0.964 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.101 -2.194 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.093 -2.053 -3.909 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.609 -3.779 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.847 -5.696 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.483 -4.539 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.365 -4.596 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.259 -4.801 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.737 -3.699 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.548 -3.051 -4.986 1.00 0.00 H new ATOM 1084 N SER B 10 -0.054 0.356 -6.767 1.00 0.00 N ATOM 1085 CA SER B 10 0.757 1.600 -6.826 1.00 0.00 C ATOM 1086 C SER B 10 -0.213 2.787 -6.967 1.00 0.00 C ATOM 1087 O SER B 10 -0.108 3.768 -6.268 1.00 0.00 O ATOM 1088 CB SER B 10 1.661 1.435 -8.069 1.00 0.00 C ATOM 1089 OG SER B 10 1.172 2.183 -9.181 1.00 0.00 O ATOM 0 H SER B 10 0.064 -0.274 -7.560 1.00 0.00 H new ATOM 0 HA SER B 10 1.368 1.779 -5.941 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.673 1.760 -7.828 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.721 0.380 -8.338 1.00 0.00 H new ATOM 0 HG SER B 10 1.430 3.123 -9.082 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.171 2.669 -7.870 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.166 3.769 -8.094 1.00 0.00 C ATOM 1097 C VAL B 11 -3.302 3.683 -7.064 1.00 0.00 C ATOM 1098 O VAL B 11 -3.599 4.651 -6.386 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.686 3.554 -9.528 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.554 4.747 -9.942 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.500 3.412 -10.502 1.00 0.00 C ATOM 0 H VAL B 11 -1.302 1.849 -8.463 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.725 4.759 -7.976 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.283 2.642 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.922 4.595 -10.957 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.399 4.836 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.959 5.660 -9.905 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.876 3.260 -11.514 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.894 4.318 -10.472 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.890 2.557 -10.210 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.926 2.526 -6.938 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.041 2.352 -5.950 1.00 0.00 C ATOM 1113 C ALA B 12 -4.521 2.484 -4.528 1.00 0.00 C ATOM 1114 O ALA B 12 -5.011 3.276 -3.759 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.592 0.935 -6.171 1.00 0.00 C ATOM 0 H ALA B 12 -3.706 1.692 -7.483 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.809 3.112 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.411 0.750 -5.476 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.957 0.842 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.800 0.206 -6.000 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.522 1.713 -4.197 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.935 1.727 -2.835 1.00 0.00 C ATOM 1123 C GLY B 13 -2.471 3.116 -2.443 1.00 0.00 C ATOM 1124 O GLY B 13 -2.858 3.611 -1.404 1.00 0.00 O ATOM 0 H GLY B 13 -3.078 1.055 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.674 1.373 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.093 1.036 -2.794 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.615 3.726 -3.235 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.099 5.080 -2.837 1.00 0.00 C ATOM 1130 C ARG B 14 -2.242 6.113 -2.693 1.00 0.00 C ATOM 1131 O ARG B 14 -2.266 6.860 -1.741 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.085 5.518 -3.900 1.00 0.00 C ATOM 1133 CG ARG B 14 1.193 6.055 -3.238 1.00 0.00 C ATOM 1134 CD ARG B 14 0.886 7.181 -2.253 1.00 0.00 C ATOM 1135 NE ARG B 14 1.950 7.081 -1.207 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.194 7.414 -1.472 1.00 0.00 C ATOM 1137 NH1 ARG B 14 4.125 6.489 -1.489 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.505 8.667 -1.702 1.00 0.00 N ATOM 0 H ARG B 14 -1.259 3.357 -4.117 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.623 5.021 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.160 4.675 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.524 6.288 -4.534 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.702 5.244 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.876 6.419 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.907 8.153 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.107 7.065 -1.818 1.00 0.00 H new ATOM 0 HE ARG B 14 1.707 6.749 -0.274 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.882 5.517 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG B 14 5.092 6.742 -1.694 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.781 9.385 -1.675 1.00 0.00 H new ATOM 0 HH22 ARG B 14 4.471 8.923 -1.907 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.201 6.154 -3.602 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.335 7.148 -3.448 1.00 0.00 C ATOM 1154 C GLU B 15 -5.160 6.816 -2.182 1.00 0.00 C ATOM 1155 O GLU B 15 -5.500 7.694 -1.414 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.191 7.014 -4.711 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.464 7.645 -5.909 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.366 7.598 -7.147 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.318 8.365 -7.199 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.090 6.797 -8.022 1.00 0.00 O ATOM 0 H GLU B 15 -3.251 5.557 -4.428 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.969 8.168 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.395 5.962 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.154 7.503 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.197 8.677 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.534 7.111 -6.105 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.425 5.539 -1.958 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.177 5.051 -0.733 1.00 0.00 C ATOM 1169 C ILE B 16 -5.396 5.363 0.554 1.00 0.00 C ATOM 1170 O ILE B 16 -5.971 5.540 1.616 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.254 3.519 -0.929 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.221 3.199 -2.080 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.754 2.819 0.340 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.058 1.751 -2.544 1.00 0.00 C ATOM 0 H ILE B 16 -5.143 4.791 -2.592 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.152 5.528 -0.634 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.251 3.158 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.248 3.367 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.036 3.875 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.797 1.743 0.169 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.072 3.029 1.164 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.749 3.187 0.590 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.753 1.550 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.037 1.593 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.268 1.077 -1.713 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.096 5.374 0.455 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.223 5.608 1.636 1.00 0.00 C ATOM 1188 C VAL B 17 -2.849 7.104 1.814 1.00 0.00 C ATOM 1189 O VAL B 17 -2.248 7.458 2.815 1.00 0.00 O ATOM 1190 CB VAL B 17 -2.017 4.698 1.319 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.959 5.391 0.483 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.398 4.171 2.577 1.00 0.00 C ATOM 0 H VAL B 17 -3.591 5.227 -0.419 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.693 5.374 2.591 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.410 3.869 0.730 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.136 4.702 0.293 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.394 5.708 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.585 6.263 1.020 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.551 3.533 2.326 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.055 5.004 3.191 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.137 3.592 3.131 1.00 0.00 H new ATOM 1202 N THR B 18 -3.185 7.982 0.865 1.00 0.00 N ATOM 1203 CA THR B 18 -2.814 9.439 1.023 1.00 0.00 C ATOM 1204 C THR B 18 -4.011 10.408 0.945 1.00 0.00 C ATOM 1205 O THR B 18 -3.793 11.606 1.058 1.00 0.00 O ATOM 1206 CB THR B 18 -1.829 9.761 -0.114 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.434 9.515 -1.378 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.576 8.906 0.040 1.00 0.00 C ATOM 0 H THR B 18 -3.689 7.751 0.009 1.00 0.00 H new ATOM 0 HA THR B 18 -2.390 9.579 2.017 1.00 0.00 H new ATOM 0 HB THR B 18 -1.557 10.815 -0.060 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.265 8.588 -1.647 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.122 9.134 -0.766 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.105 9.120 0.999 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.848 7.851 -0.003 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.256 9.961 0.751 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.380 10.979 0.682 1.00 0.00 C ATOM 1218 C LEU B 19 -6.448 11.820 1.995 1.00 0.00 C ATOM 1219 O LEU B 19 -6.055 11.354 3.053 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.691 10.248 0.349 1.00 0.00 C ATOM 1221 CG LEU B 19 -7.951 9.046 1.253 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.408 9.093 1.656 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.691 7.743 0.488 1.00 0.00 C ATOM 0 H LEU B 19 -5.529 8.984 0.643 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.195 11.700 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.522 10.947 0.436 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.661 9.915 -0.689 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.294 9.079 2.122 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.633 8.247 2.305 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.608 10.023 2.189 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.034 9.044 0.765 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -7.880 6.893 1.143 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.354 7.690 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.654 7.719 0.152 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.837 13.081 1.834 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.821 14.083 2.961 1.00 0.00 C ATOM 1237 C PRO B 20 -7.864 13.869 4.076 1.00 0.00 C ATOM 1238 O PRO B 20 -7.570 14.129 5.231 1.00 0.00 O ATOM 1239 CB PRO B 20 -7.083 15.411 2.250 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.816 15.052 0.999 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.352 13.680 0.592 1.00 0.00 C ATOM 0 HA PRO B 20 -5.876 14.011 3.499 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.675 16.081 2.874 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -6.150 15.927 2.024 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.893 15.060 1.168 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.611 15.777 0.211 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.170 13.091 0.177 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.578 13.734 -0.173 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.070 13.447 3.765 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.112 13.281 4.852 1.00 0.00 C ATOM 1251 C ASN B 21 -10.071 11.897 5.512 1.00 0.00 C ATOM 1252 O ASN B 21 -10.961 11.560 6.279 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.466 13.464 4.169 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.660 14.897 3.663 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.845 15.772 3.882 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.741 15.170 3.001 1.00 0.00 N ATOM 0 H ASN B 21 -9.381 13.212 2.823 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.927 14.007 5.644 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.548 12.769 3.333 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.263 13.215 4.870 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.907 16.118 2.664 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.425 14.436 2.817 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.080 11.091 5.220 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.023 9.733 5.824 1.00 0.00 C ATOM 1265 C LEU B 22 -8.039 9.669 6.982 1.00 0.00 C ATOM 1266 O LEU B 22 -7.088 10.430 7.062 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.531 8.836 4.708 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.001 7.399 4.909 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.508 7.289 4.628 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.228 6.498 3.944 1.00 0.00 C ATOM 0 H LEU B 22 -8.311 11.319 4.590 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.995 9.443 6.222 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -8.894 9.210 3.751 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.442 8.863 4.669 1.00 0.00 H new ATOM 0 HG LEU B 22 -8.819 7.092 5.939 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -10.831 6.258 4.775 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.054 7.941 5.310 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.709 7.589 3.600 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.551 5.465 4.073 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.421 6.813 2.919 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.161 6.573 4.152 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.253 8.716 7.841 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.319 8.496 9.003 1.00 0.00 C ATOM 1284 C ASN B 23 -6.704 7.078 8.920 1.00 0.00 C ATOM 1285 O ASN B 23 -7.167 6.239 8.162 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.136 8.751 10.296 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.258 7.723 10.503 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.611 6.996 9.608 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.843 7.640 11.666 1.00 0.00 N ATOM 0 H ASN B 23 -9.040 8.068 7.797 1.00 0.00 H new ATOM 0 HA ASN B 23 -6.471 9.181 8.993 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -7.465 8.728 11.155 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -8.568 9.751 10.256 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.593 6.964 11.813 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.551 8.251 12.429 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.627 6.840 9.649 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.888 5.515 9.588 1.00 0.00 C ATOM 1298 C ASP B 24 -5.767 4.224 9.609 1.00 0.00 C ATOM 1299 O ASP B 24 -5.425 3.307 8.888 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.838 5.529 10.727 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.481 5.587 12.118 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.847 6.675 12.540 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.585 4.543 12.744 1.00 0.00 O ATOM 0 H ASP B 24 -5.220 7.516 10.295 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.424 5.446 8.604 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.216 4.637 10.655 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.179 6.388 10.599 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.841 4.141 10.405 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.661 2.882 10.416 1.00 0.00 C ATOM 1310 C PRO B 25 -8.410 2.643 9.082 1.00 0.00 C ATOM 1311 O PRO B 25 -8.543 1.506 8.661 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.645 3.099 11.563 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.750 4.578 11.700 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.402 5.138 11.338 1.00 0.00 C ATOM 0 HA PRO B 25 -7.037 1.997 10.542 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.615 2.652 11.342 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.286 2.641 12.484 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.524 4.974 11.043 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.024 4.855 12.718 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.490 6.118 10.870 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.771 5.261 12.218 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.908 3.685 8.421 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.652 3.472 7.126 1.00 0.00 C ATOM 1324 C GLN B 26 -8.676 2.999 6.045 1.00 0.00 C ATOM 1325 O GLN B 26 -8.867 1.942 5.473 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.262 4.829 6.739 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.086 5.407 7.900 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.462 4.756 8.001 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.615 3.562 7.833 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.473 5.508 8.303 1.00 0.00 N ATOM 0 H GLN B 26 -8.830 4.656 8.722 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.429 2.715 7.231 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.469 5.526 6.468 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.896 4.711 5.860 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.546 5.262 8.836 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.202 6.482 7.763 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.340 6.510 8.443 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.402 5.098 8.401 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.618 3.764 5.784 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.592 3.346 4.750 1.00 0.00 C ATOM 1341 C LYS B 27 -6.088 1.942 5.054 1.00 0.00 C ATOM 1342 O LYS B 27 -5.920 1.142 4.157 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.420 4.347 4.776 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.013 4.786 6.194 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.364 6.171 6.117 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.412 7.247 5.782 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.853 8.526 6.315 1.00 0.00 N ATOM 0 H LYS B 27 -7.425 4.655 6.242 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.048 3.343 3.760 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.558 3.897 4.283 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.694 5.229 4.197 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.887 4.815 6.845 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.317 4.067 6.626 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.885 6.407 7.067 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.582 6.170 5.358 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.580 7.310 4.707 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.373 7.016 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.601 9.249 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.490 8.372 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.078 8.849 5.701 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.888 1.636 6.314 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.436 0.266 6.708 1.00 0.00 C ATOM 1363 C LYS B 28 -6.441 -0.785 6.191 1.00 0.00 C ATOM 1364 O LYS B 28 -6.061 -1.811 5.651 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.493 0.242 8.250 1.00 0.00 C ATOM 1366 CG LYS B 28 -4.094 0.208 8.830 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.605 -1.239 8.911 1.00 0.00 C ATOM 1368 CE LYS B 28 -2.071 -1.292 8.837 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.566 -0.689 10.111 1.00 0.00 N ATOM 0 H LYS B 28 -6.020 2.283 7.091 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.446 0.047 6.308 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.023 1.122 8.614 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.054 -0.630 8.586 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.418 0.796 8.209 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.090 0.660 9.822 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.946 -1.693 9.841 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.035 -1.821 8.096 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.723 -2.319 8.728 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.704 -0.738 7.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -1.050 0.189 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.369 -0.476 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.928 -1.360 10.584 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.725 -0.514 6.392 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.812 -1.458 5.967 1.00 0.00 C ATOM 1385 C ALA B 29 -8.799 -1.711 4.455 1.00 0.00 C ATOM 1386 O ALA B 29 -8.811 -2.861 4.041 1.00 0.00 O ATOM 1387 CB ALA B 29 -10.129 -0.789 6.387 1.00 0.00 C ATOM 0 H ALA B 29 -8.061 0.338 6.841 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.676 -2.434 6.433 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.967 -1.427 6.106 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -10.133 -0.640 7.467 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -10.223 0.175 5.887 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.764 -0.677 3.613 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.741 -0.971 2.137 1.00 0.00 C ATOM 1395 C PHE B 30 -7.332 -1.358 1.674 1.00 0.00 C ATOM 1396 O PHE B 30 -7.218 -2.155 0.780 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.249 0.208 1.257 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.764 1.422 1.988 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.865 2.362 2.464 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.141 1.648 2.103 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.332 3.535 3.058 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.605 2.809 2.707 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.701 3.757 3.182 1.00 0.00 C ATOM 0 H PHE B 30 -8.751 0.308 3.876 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.429 -1.805 2.002 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.434 0.523 0.605 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.045 -0.166 0.613 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.803 2.187 2.375 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.842 0.920 1.722 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.631 4.271 3.422 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.667 2.977 2.809 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.062 4.663 3.646 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.256 -0.819 2.241 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.890 -1.231 1.743 1.00 0.00 C ATOM 1415 C ILE B 31 -4.694 -2.751 1.915 1.00 0.00 C ATOM 1416 O ILE B 31 -4.299 -3.425 0.985 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.804 -0.458 2.530 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.707 1.006 2.001 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.437 -1.177 2.348 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.259 1.393 1.780 1.00 0.00 C ATOM 0 H ILE B 31 -6.265 -0.137 2.999 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.806 -0.992 0.683 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.067 -0.433 3.588 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.262 1.099 1.067 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.168 1.689 2.715 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.666 -0.638 2.900 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.509 -2.197 2.727 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.176 -1.201 1.290 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.208 2.417 1.411 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.715 1.319 2.722 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.810 0.721 1.048 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.951 -3.288 3.097 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.760 -4.765 3.317 1.00 0.00 C ATOM 1434 C PHE B 32 -5.727 -5.572 2.419 1.00 0.00 C ATOM 1435 O PHE B 32 -5.326 -6.566 1.841 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.977 -5.018 4.827 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.689 -4.717 5.597 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.058 -3.442 5.505 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.083 -5.721 6.399 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.883 -3.211 6.192 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.900 -5.449 7.061 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.311 -4.210 6.960 1.00 0.00 C ATOM 0 H PHE B 32 -5.282 -2.769 3.910 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.760 -5.096 3.037 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.787 -4.390 5.197 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.276 -6.053 4.992 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.497 -2.661 4.901 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.545 -6.693 6.491 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.407 -2.244 6.130 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.434 -6.216 7.662 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.389 -4.014 7.488 1.00 0.00 H new ATOM 1452 N SER B 33 -6.970 -5.127 2.240 1.00 0.00 N ATOM 1453 CA SER B 33 -7.910 -5.864 1.306 1.00 0.00 C ATOM 1454 C SER B 33 -7.447 -5.652 -0.160 1.00 0.00 C ATOM 1455 O SER B 33 -7.504 -6.557 -0.966 1.00 0.00 O ATOM 1456 CB SER B 33 -9.316 -5.293 1.554 1.00 0.00 C ATOM 1457 OG SER B 33 -9.363 -3.926 1.180 1.00 0.00 O ATOM 0 H SER B 33 -7.364 -4.302 2.692 1.00 0.00 H new ATOM 0 HA SER B 33 -7.914 -6.939 1.487 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.052 -5.859 0.983 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.579 -5.399 2.607 1.00 0.00 H new ATOM 0 HG SER B 33 -8.462 -3.543 1.228 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.927 -4.468 -0.471 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.365 -4.164 -1.845 1.00 0.00 C ATOM 1465 C LEU B 34 -5.151 -5.067 -2.076 1.00 0.00 C ATOM 1466 O LEU B 34 -4.938 -5.572 -3.166 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.980 -2.657 -1.776 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.991 -2.220 -2.859 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.738 -1.904 -4.164 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.258 -0.955 -2.383 1.00 0.00 C ATOM 0 H LEU B 34 -6.869 -3.688 0.184 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.055 -4.347 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.886 -2.056 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.549 -2.447 -0.797 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.280 -3.026 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.023 -1.594 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.269 -2.793 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.453 -1.100 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.550 -0.635 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.982 -0.161 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.721 -1.171 -1.460 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.376 -5.285 -1.032 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.183 -6.161 -1.123 1.00 0.00 C ATOM 1484 C TRP B 35 -3.575 -7.624 -1.431 1.00 0.00 C ATOM 1485 O TRP B 35 -2.978 -8.256 -2.283 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.520 -6.088 0.259 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.301 -6.910 0.182 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -1.106 -8.065 0.828 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.146 -6.690 -0.646 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.123 -8.563 0.470 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.760 -7.742 -0.436 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.202 -5.675 -1.540 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 1.978 -7.781 -1.100 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.418 -5.714 -2.207 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.300 -6.759 -1.986 1.00 0.00 C ATOM 0 H TRP B 35 -4.534 -4.880 -0.109 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.523 -5.836 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.277 -5.058 0.519 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.192 -6.462 1.032 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.798 -8.528 1.515 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.516 -9.433 0.830 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.479 -4.855 -1.713 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.667 -8.595 -0.931 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.678 -4.928 -2.900 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.246 -6.780 -2.506 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.551 -8.162 -0.729 1.00 0.00 N ATOM 1507 CA ASP B 36 -4.967 -9.587 -0.951 1.00 0.00 C ATOM 1508 C ASP B 36 -5.864 -9.715 -2.181 1.00 0.00 C ATOM 1509 O ASP B 36 -5.779 -10.697 -2.903 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.724 -10.006 0.322 1.00 0.00 C ATOM 1511 CG ASP B 36 -4.790 -9.970 1.543 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -3.705 -10.534 1.468 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.176 -9.377 2.537 1.00 0.00 O ATOM 0 H ASP B 36 -5.079 -7.670 -0.008 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.103 -10.226 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.570 -9.339 0.485 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.129 -11.010 0.197 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.728 -8.749 -2.421 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.636 -8.832 -3.597 1.00 0.00 C ATOM 1520 C ASP B 37 -7.569 -7.540 -4.432 1.00 0.00 C ATOM 1521 O ASP B 37 -8.491 -6.737 -4.404 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.066 -9.060 -3.042 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.061 -10.107 -1.913 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.008 -11.286 -2.222 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.107 -9.705 -0.760 1.00 0.00 O ATOM 0 H ASP B 37 -6.836 -7.912 -1.849 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.343 -9.648 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.469 -8.119 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.723 -9.391 -3.846 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.493 -7.391 -5.198 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.354 -6.206 -6.089 1.00 0.00 C ATOM 1532 C PRO B 38 -7.372 -6.255 -7.252 1.00 0.00 C ATOM 1533 O PRO B 38 -7.473 -5.310 -8.008 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.930 -6.285 -6.599 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.568 -7.729 -6.489 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.320 -8.276 -5.302 1.00 0.00 C ATOM 0 HA PRO B 38 -6.555 -5.270 -5.567 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.858 -5.936 -7.629 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.261 -5.663 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.838 -8.266 -7.399 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.493 -7.849 -6.355 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.613 -9.314 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.715 -8.248 -4.396 1.00 0.00 H new ATOM 1544 N SER B 39 -8.164 -7.315 -7.377 1.00 0.00 N ATOM 1545 CA SER B 39 -9.219 -7.350 -8.447 1.00 0.00 C ATOM 1546 C SER B 39 -10.200 -6.192 -8.162 1.00 0.00 C ATOM 1547 O SER B 39 -10.687 -5.538 -9.068 1.00 0.00 O ATOM 1548 CB SER B 39 -9.920 -8.704 -8.306 1.00 0.00 C ATOM 1549 OG SER B 39 -10.178 -9.241 -9.597 1.00 0.00 O ATOM 0 H SER B 39 -8.120 -8.145 -6.786 1.00 0.00 H new ATOM 0 HA SER B 39 -8.820 -7.237 -9.455 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.297 -9.390 -7.733 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.854 -8.587 -7.756 1.00 0.00 H new ATOM 0 HG SER B 39 -10.625 -10.108 -9.507 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.430 -5.914 -6.882 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.310 -4.766 -6.468 1.00 0.00 C ATOM 1557 C GLN B 40 -10.454 -3.483 -6.289 1.00 0.00 C ATOM 1558 O GLN B 40 -10.914 -2.537 -5.694 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.920 -5.129 -5.087 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.294 -6.617 -4.956 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.187 -7.079 -6.117 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.088 -6.376 -6.535 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -12.977 -8.254 -6.646 1.00 0.00 N ATOM 0 H GLN B 40 -10.037 -6.445 -6.105 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.078 -4.590 -7.221 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.207 -4.871 -4.304 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.810 -4.522 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.386 -7.220 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.811 -6.781 -4.011 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.222 -8.843 -6.296 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.568 -8.583 -7.410 1.00 0.00 H new ATOM 1572 N SER B 41 -9.212 -3.459 -6.765 1.00 0.00 N ATOM 1573 CA SER B 41 -8.305 -2.259 -6.592 1.00 0.00 C ATOM 1574 C SER B 41 -8.972 -0.960 -7.075 1.00 0.00 C ATOM 1575 O SER B 41 -8.895 0.052 -6.401 1.00 0.00 O ATOM 1576 CB SER B 41 -7.089 -2.581 -7.443 1.00 0.00 C ATOM 1577 OG SER B 41 -6.149 -1.522 -7.386 1.00 0.00 O ATOM 0 H SER B 41 -8.786 -4.234 -7.273 1.00 0.00 H new ATOM 0 HA SER B 41 -8.059 -2.089 -5.544 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.627 -3.504 -7.093 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.395 -2.749 -8.476 1.00 0.00 H new ATOM 0 HG SER B 41 -6.001 -1.167 -8.287 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.648 -0.991 -8.214 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.354 0.240 -8.710 1.00 0.00 C ATOM 1585 C ALA B 42 -11.452 0.612 -7.698 1.00 0.00 C ATOM 1586 O ALA B 42 -11.587 1.762 -7.314 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.966 -0.140 -10.065 1.00 0.00 C ATOM 0 H ALA B 42 -9.738 -1.812 -8.813 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.687 1.096 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.496 0.718 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.174 -0.442 -10.750 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.664 -0.966 -9.930 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.198 -0.379 -7.230 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.252 -0.143 -6.206 1.00 0.00 C ATOM 1595 C ASN B 43 -12.612 0.261 -4.859 1.00 0.00 C ATOM 1596 O ASN B 43 -13.195 1.015 -4.117 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.001 -1.476 -6.080 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.289 -1.275 -5.276 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.202 -0.605 -5.720 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.399 -1.829 -4.102 1.00 0.00 N ATOM 0 H ASN B 43 -12.108 -1.350 -7.528 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.924 0.668 -6.488 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.237 -1.866 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.367 -2.215 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.251 -1.701 -3.555 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.634 -2.391 -3.729 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.415 -0.230 -4.554 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.727 0.131 -3.261 1.00 0.00 C ATOM 1609 C LEU B 44 -10.349 1.602 -3.264 1.00 0.00 C ATOM 1610 O LEU B 44 -10.647 2.332 -2.339 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.492 -0.759 -3.220 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.861 -2.045 -2.504 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.141 -3.228 -3.148 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.461 -1.895 -1.039 1.00 0.00 C ATOM 0 H LEU B 44 -10.888 -0.867 -5.152 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.361 -0.021 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.143 -0.973 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.677 -0.255 -2.701 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.932 -2.233 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.412 -4.146 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.433 -3.305 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.063 -3.078 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.715 -2.806 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.387 -1.719 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -9.995 -1.052 -0.601 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.742 2.030 -4.332 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.378 3.469 -4.512 1.00 0.00 C ATOM 1628 C LEU B 45 -10.653 4.313 -4.370 1.00 0.00 C ATOM 1629 O LEU B 45 -10.664 5.332 -3.699 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.802 3.545 -5.940 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.603 4.999 -6.388 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.020 5.833 -5.245 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.647 5.021 -7.579 1.00 0.00 C ATOM 0 H LEU B 45 -9.474 1.429 -5.111 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.661 3.842 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.849 3.018 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.474 3.038 -6.632 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.565 5.425 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.884 6.862 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.703 5.813 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.057 5.418 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.498 6.050 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.689 4.591 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.071 4.438 -8.397 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.736 3.850 -4.960 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.043 4.561 -4.838 1.00 0.00 C ATOM 1647 C ALA B 46 -13.506 4.519 -3.375 1.00 0.00 C ATOM 1648 O ALA B 46 -13.887 5.520 -2.814 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.002 3.751 -5.696 1.00 0.00 C ATOM 0 H ALA B 46 -11.764 3.001 -5.525 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.986 5.605 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.992 4.206 -5.663 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.644 3.735 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.058 2.731 -5.315 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.434 3.345 -2.764 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.821 3.163 -1.324 1.00 0.00 C ATOM 1657 C GLU B 47 -13.007 4.112 -0.432 1.00 0.00 C ATOM 1658 O GLU B 47 -13.511 4.637 0.539 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.457 1.703 -1.009 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.598 0.769 -1.428 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.189 -0.687 -1.165 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -13.417 -1.221 -1.948 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.654 -1.244 -0.185 1.00 0.00 O ATOM 0 H GLU B 47 -13.115 2.490 -3.220 1.00 0.00 H new ATOM 0 HA GLU B 47 -14.874 3.380 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -12.542 1.428 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.260 1.592 0.057 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -15.503 1.010 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.827 0.909 -2.484 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.760 4.347 -0.789 1.00 0.00 N ATOM 1671 CA ALA B 48 -10.885 5.281 -0.013 1.00 0.00 C ATOM 1672 C ALA B 48 -11.432 6.712 -0.140 1.00 0.00 C ATOM 1673 O ALA B 48 -11.654 7.383 0.853 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.491 5.156 -0.663 1.00 0.00 C ATOM 0 H ALA B 48 -11.309 3.922 -1.599 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.846 5.046 1.051 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.789 5.813 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.145 4.125 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.552 5.442 -1.713 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.681 7.157 -1.360 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.249 8.536 -1.592 1.00 0.00 C ATOM 1682 C LYS B 49 -13.664 8.643 -0.988 1.00 0.00 C ATOM 1683 O LYS B 49 -13.996 9.618 -0.351 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.305 8.704 -3.121 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.885 8.676 -3.708 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.944 8.884 -5.225 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.571 8.568 -5.842 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.354 9.594 -6.907 1.00 0.00 N ATOM 0 H LYS B 49 -11.513 6.619 -2.210 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.642 9.309 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.904 7.907 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.793 9.646 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.277 9.455 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.407 7.723 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.707 8.240 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.228 9.912 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.784 8.615 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.553 7.561 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.388 9.506 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.039 9.447 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.483 10.544 -6.505 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.489 7.631 -1.180 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.888 7.642 -0.611 1.00 0.00 C ATOM 1704 C LYS B 50 -15.846 7.638 0.931 1.00 0.00 C ATOM 1705 O LYS B 50 -16.615 8.333 1.573 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.550 6.354 -1.124 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.778 6.445 -2.638 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.344 5.116 -3.145 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.395 5.124 -4.679 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.434 3.683 -5.082 1.00 0.00 N ATOM 0 H LYS B 50 -14.253 6.792 -1.710 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.437 8.533 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -15.919 5.495 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.500 6.196 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.468 7.258 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.840 6.671 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -16.724 4.290 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.343 4.957 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.274 5.657 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.523 5.626 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.418 3.612 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.607 3.190 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.304 3.244 -4.718 1.00 0.00 H new ATOM 1724 N LEU B 51 -14.951 6.862 1.518 1.00 0.00 N ATOM 1725 CA LEU B 51 -14.840 6.802 3.018 1.00 0.00 C ATOM 1726 C LEU B 51 -14.335 8.150 3.582 1.00 0.00 C ATOM 1727 O LEU B 51 -14.782 8.577 4.633 1.00 0.00 O ATOM 1728 CB LEU B 51 -13.880 5.625 3.305 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.813 5.280 4.815 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.169 5.502 5.507 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.427 3.802 4.972 1.00 0.00 C ATOM 0 H LEU B 51 -14.291 6.266 1.018 1.00 0.00 H new ATOM 0 HA LEU B 51 -15.800 6.637 3.508 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.207 4.747 2.747 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -12.882 5.877 2.947 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.074 5.934 5.278 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.084 5.250 6.564 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.462 6.547 5.406 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -15.923 4.867 5.042 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.377 3.549 6.031 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.175 3.177 4.485 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.454 3.629 4.512 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.447 8.843 2.875 1.00 0.00 N ATOM 1744 CA ASN B 52 -12.967 10.193 3.351 1.00 0.00 C ATOM 1745 C ASN B 52 -14.169 11.165 3.445 1.00 0.00 C ATOM 1746 O ASN B 52 -14.185 12.055 4.273 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.899 10.625 2.303 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.335 11.764 1.340 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.444 11.830 0.869 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.462 12.660 0.993 1.00 0.00 N ATOM 0 H ASN B 52 -13.039 8.529 1.994 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.528 10.181 4.349 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.002 10.944 2.834 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.625 9.754 1.708 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.721 13.397 0.337 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.517 12.627 1.377 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.171 10.980 2.588 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.380 11.863 2.591 1.00 0.00 C ATOM 1759 C ASP B 53 -17.196 11.679 3.885 1.00 0.00 C ATOM 1760 O ASP B 53 -17.795 12.618 4.382 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.214 11.427 1.379 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.333 12.445 1.126 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.065 13.450 0.486 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.441 12.202 1.575 1.00 0.00 O ATOM 0 H ASP B 53 -15.189 10.242 1.884 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.099 12.915 2.540 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.577 11.346 0.498 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.641 10.440 1.556 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.223 10.472 4.424 1.00 0.00 N ATOM 1770 CA ALA B 54 -17.996 10.206 5.685 1.00 0.00 C ATOM 1771 C ALA B 54 -17.373 10.966 6.872 1.00 0.00 C ATOM 1772 O ALA B 54 -18.077 11.453 7.739 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.897 8.691 5.893 1.00 0.00 C ATOM 0 H ALA B 54 -16.740 9.660 4.040 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.031 10.541 5.615 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.438 8.412 6.797 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.333 8.177 5.036 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.850 8.405 5.994 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.059 11.077 6.894 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.352 11.813 7.993 1.00 0.00 C ATOM 1781 C GLN B 55 -15.326 13.328 7.693 1.00 0.00 C ATOM 1782 O GLN B 55 -15.396 14.142 8.596 1.00 0.00 O ATOM 1783 CB GLN B 55 -13.946 11.201 7.998 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.020 9.786 8.592 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.693 9.065 8.366 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.090 8.568 9.295 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.213 8.986 7.161 1.00 0.00 N ATOM 0 H GLN B 55 -15.441 10.682 6.185 1.00 0.00 H new ATOM 0 HA GLN B 55 -15.838 11.717 8.964 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.548 11.164 6.984 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.267 11.821 8.584 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.239 9.839 9.658 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -14.833 9.228 8.127 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.721 9.404 6.381 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.329 8.506 6.995 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.231 13.696 6.426 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.202 15.143 6.025 1.00 0.00 C ATOM 1798 C ALA B 56 -15.844 15.304 4.630 1.00 0.00 C ATOM 1799 O ALA B 56 -15.751 14.408 3.830 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.719 15.488 5.981 1.00 0.00 C ATOM 0 H ALA B 56 -15.172 13.041 5.646 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.753 15.791 6.706 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.597 16.533 5.695 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.279 15.327 6.965 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.219 14.851 5.251 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.490 16.436 4.382 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.173 16.672 3.061 1.00 0.00 C ATOM 1808 C PRO B 57 -16.166 16.926 1.902 1.00 0.00 C ATOM 1809 O PRO B 57 -16.162 17.987 1.303 1.00 0.00 O ATOM 1810 CB PRO B 57 -18.027 17.914 3.333 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.330 18.626 4.444 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.647 17.586 5.286 1.00 0.00 C ATOM 0 HA PRO B 57 -17.748 15.806 2.733 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -18.102 18.544 2.446 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -19.043 17.640 3.616 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.604 19.337 4.049 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -18.042 19.196 5.041 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.683 17.940 5.652 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.244 17.327 6.160 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.335 15.935 1.593 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.305 16.025 0.480 1.00 0.00 C ATOM 1822 C LYS B 58 -13.707 17.449 0.325 1.00 0.00 C ATOM 1823 O LYS B 58 -12.946 17.835 1.198 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.031 15.532 -0.786 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.108 14.000 -0.754 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.756 13.480 -2.041 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.846 11.944 -1.987 1.00 0.00 C ATOM 1828 NZ LYS B 58 -17.294 11.615 -2.141 1.00 0.00 N ATOM 1829 OXT LYS B 58 -14.009 18.128 -0.651 1.00 0.00 O ATOM 0 H LYS B 58 -15.330 15.040 2.083 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.432 15.410 0.696 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.033 15.958 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.499 15.864 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.108 13.580 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.686 13.675 0.111 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.751 13.909 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -15.171 13.790 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.255 11.490 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.457 11.563 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.451 10.617 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.857 12.220 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.584 11.779 -3.126 1.00 0.00 H new TER 1843 LYS B 58