USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 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= -3.64! C(o=-5.8!,f=-14!) USER MOD Set 1.2: B 55 GLN :FLIP amide:sc= -2.15 F(o=-7.6!,f=-5.8) USER MOD Set 2.1: B 21 ASN : amide:sc= -0.621 X(o=-7.6,f=-8.1) USER MOD Set 2.2: B 52 ASN : amide:sc= -7! C(o=-7.6!,f=-12!) USER MOD Set 3.1: A 28 ASN : amide:sc= -5.96! C(o=-6.1!,f=-12!) USER MOD Set 3.2: B 10 SER OG : rot 180:sc= -0.0979 USER MOD Set 4.1: A 32 GLN : amide:sc= -0.632 K(o=-4.6,f=-7.2!) USER MOD Set 4.2: B 6 ASN : amide:sc= -3.93! C(o=-4.6!,f=-5.5!) USER MOD Set 5.1: A 23 ASN : amide:sc= -0.732 K(o=-1,f=-6.6!) USER MOD Set 5.2: A 26 GLN : amide:sc= 0.145 K(o=-1,f=-9.8!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.452 X(o=-1,f=-0.61) USER MOD Set 6.1: A 14 TYR OH : rot -69:sc= -1.2 USER MOD Set 6.2: A 18 HIS :FLIP no HE2:sc= -23.5! C(o=-27!,f=-25!) USER MOD Single : A 1 VAL N :NH3+ -158:sc= -0.0507 (180deg=-0.6) USER MOD Single : A 3 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.4) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00128) USER MOD Single : A 6 ASN : amide:sc= -0.965 K(o=-0.97,f=-5.3!) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0135 (180deg=-0.081) USER MOD Single : A 9 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.4) USER MOD Single : A 10 GLN : amide:sc= -1.41 K(o=-1.4,f=-6.1) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.76) USER MOD Single : A 33 SER OG : rot 6:sc= -0.248 USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= 0.423 (180deg=0.186) USER MOD Single : A 39 SER OG : rot 47:sc= 0.737 USER MOD Single : A 40 GLN : amide:sc= -0.946 K(o=-0.95,f=-5.3!) USER MOD Single : A 41 SER OG : rot -97:sc= 0.511 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= -1.12! C(o=-1.1!,f=-11!) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 0.183 (180deg=0.12) USER MOD Single : B 1 VAL N :NH3+ 148:sc= -0.703 (180deg=-1.04) USER MOD Single : B 3 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.0027) USER MOD Single : B 4 LYS NZ :NH3+ -109:sc= 0.512 (180deg=0.0179) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot 180:sc= -0.181 USER MOD Single : B 26 GLN : amide:sc= -2.68! C(o=-2.7!,f=-5.5!) USER MOD Single : B 27 LYS NZ :NH3+ -169:sc=0.000603 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -109:sc= 0.429 (180deg=-0.0932) USER MOD Single : B 33 SER OG : rot -29:sc= -1.88! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.22) USER MOD Single : B 41 SER OG : rot -122:sc= -1.92 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0012) USER MOD Single : B 58 LYS NZ :NH3+ 179:sc= 0.307 (180deg=0.307) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.767 -18.831 11.486 1.00 0.00 N ATOM 2 CA VAL A 1 -4.739 -17.961 12.154 1.00 0.00 C ATOM 3 C VAL A 1 -3.912 -17.211 11.092 1.00 0.00 C ATOM 4 O VAL A 1 -3.489 -17.790 10.104 1.00 0.00 O ATOM 5 CB VAL A 1 -3.844 -18.915 12.981 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.650 -18.146 13.568 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.652 -19.526 14.135 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.538 -19.034 12.154 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.151 -18.339 10.654 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.325 -19.723 11.187 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.198 -17.206 12.792 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.484 -19.705 12.322 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.028 -18.828 14.148 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.060 -17.716 12.758 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.014 -17.348 14.215 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.014 -20.196 14.711 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.021 -18.730 14.782 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.496 -20.086 13.732 1.00 0.00 H new ATOM 19 N ASP A 2 -3.677 -15.931 11.301 1.00 0.00 N ATOM 20 CA ASP A 2 -2.874 -15.128 10.320 1.00 0.00 C ATOM 21 C ASP A 2 -1.371 -15.299 10.604 1.00 0.00 C ATOM 22 O ASP A 2 -0.891 -14.954 11.673 1.00 0.00 O ATOM 23 CB ASP A 2 -3.305 -13.664 10.534 1.00 0.00 C ATOM 24 CG ASP A 2 -2.689 -12.767 9.449 1.00 0.00 C ATOM 25 OD1 ASP A 2 -1.593 -12.271 9.664 1.00 0.00 O ATOM 26 OD2 ASP A 2 -3.329 -12.580 8.428 1.00 0.00 O ATOM 0 H ASP A 2 -4.009 -15.409 12.112 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.044 -15.448 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.392 -13.589 10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.989 -13.324 11.520 1.00 0.00 H new ATOM 31 N ASN A 3 -0.630 -15.823 9.648 1.00 0.00 N ATOM 32 CA ASN A 3 0.853 -16.012 9.837 1.00 0.00 C ATOM 33 C ASN A 3 1.564 -14.647 9.771 1.00 0.00 C ATOM 34 O ASN A 3 0.997 -13.672 9.307 1.00 0.00 O ATOM 35 CB ASN A 3 1.301 -16.916 8.674 1.00 0.00 C ATOM 36 CG ASN A 3 2.778 -17.305 8.838 1.00 0.00 C ATOM 37 OD1 ASN A 3 3.633 -16.779 8.151 1.00 0.00 O ATOM 38 ND2 ASN A 3 3.120 -18.202 9.724 1.00 0.00 N ATOM 0 H ASN A 3 -0.989 -16.129 8.743 1.00 0.00 H new ATOM 0 HA ASN A 3 1.095 -16.456 10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.683 -17.813 8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.158 -16.398 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.101 -18.459 9.838 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.406 -18.646 10.302 1.00 0.00 H new ATOM 45 N LYS A 4 2.800 -14.575 10.227 1.00 0.00 N ATOM 46 CA LYS A 4 3.552 -13.270 10.184 1.00 0.00 C ATOM 47 C LYS A 4 3.592 -12.707 8.748 1.00 0.00 C ATOM 48 O LYS A 4 3.332 -11.540 8.549 1.00 0.00 O ATOM 49 CB LYS A 4 4.978 -13.564 10.717 1.00 0.00 C ATOM 50 CG LYS A 4 5.706 -14.601 9.845 1.00 0.00 C ATOM 51 CD LYS A 4 7.026 -15.006 10.506 1.00 0.00 C ATOM 52 CE LYS A 4 7.815 -15.927 9.560 1.00 0.00 C ATOM 53 NZ LYS A 4 7.240 -17.294 9.745 1.00 0.00 N ATOM 0 H LYS A 4 3.318 -15.359 10.625 1.00 0.00 H new ATOM 0 HA LYS A 4 3.062 -12.513 10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.555 -12.640 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.916 -13.929 11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.075 -15.479 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.897 -14.186 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.614 -14.119 10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.831 -15.517 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.718 -15.599 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.878 -15.915 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.748 -17.969 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.338 -17.580 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.233 -17.285 9.485 1.00 0.00 H new ATOM 67 N PHE A 5 3.884 -13.530 7.753 1.00 0.00 N ATOM 68 CA PHE A 5 3.925 -13.041 6.338 1.00 0.00 C ATOM 69 C PHE A 5 2.521 -12.692 5.811 1.00 0.00 C ATOM 70 O PHE A 5 2.395 -11.822 4.970 1.00 0.00 O ATOM 71 CB PHE A 5 4.552 -14.174 5.504 1.00 0.00 C ATOM 72 CG PHE A 5 6.031 -14.362 5.838 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.796 -13.317 6.396 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.643 -15.593 5.570 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.150 -13.513 6.681 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.997 -15.787 5.858 1.00 0.00 C ATOM 77 CZ PHE A 5 8.751 -14.746 6.413 1.00 0.00 C ATOM 0 H PHE A 5 4.095 -14.521 7.869 1.00 0.00 H new ATOM 0 HA PHE A 5 4.509 -12.123 6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.015 -15.104 5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.443 -13.949 4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.334 -12.363 6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.065 -16.397 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.733 -12.711 7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.462 -16.740 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.797 -14.896 6.634 1.00 0.00 H new ATOM 87 N ASN A 6 1.474 -13.361 6.285 1.00 0.00 N ATOM 88 CA ASN A 6 0.081 -13.056 5.788 1.00 0.00 C ATOM 89 C ASN A 6 -0.233 -11.553 5.902 1.00 0.00 C ATOM 90 O ASN A 6 -0.628 -10.950 4.927 1.00 0.00 O ATOM 91 CB ASN A 6 -0.881 -13.876 6.662 1.00 0.00 C ATOM 92 CG ASN A 6 -1.165 -15.223 5.993 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.419 -16.167 6.157 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.223 -15.357 5.236 1.00 0.00 N ATOM 0 H ASN A 6 1.528 -14.098 6.988 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.019 -13.317 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.446 -14.034 7.649 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.812 -13.328 6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.418 -16.251 4.786 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.853 -14.567 5.095 1.00 0.00 H new ATOM 101 N LYS A 7 -0.035 -10.943 7.057 1.00 0.00 N ATOM 102 CA LYS A 7 -0.301 -9.464 7.182 1.00 0.00 C ATOM 103 C LYS A 7 0.978 -8.633 6.952 1.00 0.00 C ATOM 104 O LYS A 7 0.879 -7.461 6.663 1.00 0.00 O ATOM 105 CB LYS A 7 -0.854 -9.235 8.594 1.00 0.00 C ATOM 106 CG LYS A 7 -1.140 -7.740 8.826 1.00 0.00 C ATOM 107 CD LYS A 7 0.036 -7.037 9.525 1.00 0.00 C ATOM 108 CE LYS A 7 0.370 -7.718 10.864 1.00 0.00 C ATOM 109 NZ LYS A 7 1.741 -8.295 10.691 1.00 0.00 N ATOM 0 H LYS A 7 0.295 -11.399 7.908 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.013 -9.141 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.769 -9.812 8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.138 -9.593 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.338 -7.255 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.040 -7.631 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.912 -7.054 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.213 -5.990 9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.347 -7.001 11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.356 -8.496 11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.929 -8.979 11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.802 -8.776 9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.446 -7.532 10.730 1.00 0.00 H new ATOM 123 N GLU A 8 2.172 -9.211 7.056 1.00 0.00 N ATOM 124 CA GLU A 8 3.412 -8.394 6.821 1.00 0.00 C ATOM 125 C GLU A 8 3.447 -7.912 5.384 1.00 0.00 C ATOM 126 O GLU A 8 3.917 -6.834 5.122 1.00 0.00 O ATOM 127 CB GLU A 8 4.625 -9.277 7.122 1.00 0.00 C ATOM 128 CG GLU A 8 4.974 -9.182 8.612 1.00 0.00 C ATOM 129 CD GLU A 8 5.301 -7.725 8.993 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.255 -7.185 8.450 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.580 -7.173 9.807 1.00 0.00 O ATOM 0 H GLU A 8 2.330 -10.191 7.289 1.00 0.00 H new ATOM 0 HA GLU A 8 3.422 -7.518 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.410 -10.311 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.476 -8.962 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.139 -9.543 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.827 -9.823 8.834 1.00 0.00 H new ATOM 138 N GLN A 9 2.917 -8.686 4.460 1.00 0.00 N ATOM 139 CA GLN A 9 2.877 -8.236 3.048 1.00 0.00 C ATOM 140 C GLN A 9 1.994 -6.980 2.950 1.00 0.00 C ATOM 141 O GLN A 9 2.353 -6.046 2.285 1.00 0.00 O ATOM 142 CB GLN A 9 2.277 -9.373 2.234 1.00 0.00 C ATOM 143 CG GLN A 9 3.211 -10.582 2.205 1.00 0.00 C ATOM 144 CD GLN A 9 2.529 -11.704 1.420 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.517 -11.687 0.204 1.00 0.00 O ATOM 146 NE2 GLN A 9 1.947 -12.681 2.064 1.00 0.00 N ATOM 0 H GLN A 9 2.514 -9.607 4.634 1.00 0.00 H new ATOM 0 HA GLN A 9 3.871 -7.989 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.316 -9.662 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.085 -9.034 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.160 -10.316 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.435 -10.912 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.956 -12.697 3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.483 -13.428 1.547 1.00 0.00 H new ATOM 155 N GLN A 10 0.870 -6.942 3.663 1.00 0.00 N ATOM 156 CA GLN A 10 0.005 -5.698 3.654 1.00 0.00 C ATOM 157 C GLN A 10 0.625 -4.636 4.544 1.00 0.00 C ATOM 158 O GLN A 10 0.573 -3.486 4.206 1.00 0.00 O ATOM 159 CB GLN A 10 -1.440 -5.978 4.116 1.00 0.00 C ATOM 160 CG GLN A 10 -1.693 -7.375 4.692 1.00 0.00 C ATOM 161 CD GLN A 10 -1.947 -8.372 3.559 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.049 -9.071 3.148 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.139 -8.462 3.027 1.00 0.00 N ATOM 0 H GLN A 10 0.522 -7.707 4.241 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.044 -5.348 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.711 -5.239 4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.109 -5.828 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.834 -7.695 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.551 -7.350 5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.897 -7.874 3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.310 -9.121 2.267 1.00 0.00 H new ATOM 172 N ASN A 11 1.230 -4.996 5.660 1.00 0.00 N ATOM 173 CA ASN A 11 1.881 -3.949 6.511 1.00 0.00 C ATOM 174 C ASN A 11 3.048 -3.356 5.715 1.00 0.00 C ATOM 175 O ASN A 11 3.204 -2.163 5.647 1.00 0.00 O ATOM 176 CB ASN A 11 2.387 -4.648 7.777 1.00 0.00 C ATOM 177 CG ASN A 11 2.647 -3.602 8.867 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.720 -3.085 9.460 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.876 -3.260 9.154 1.00 0.00 N ATOM 0 H ASN A 11 1.298 -5.952 6.009 1.00 0.00 H new ATOM 0 HA ASN A 11 1.195 -3.147 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.652 -5.375 8.123 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.302 -5.199 7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.056 -2.561 9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.655 -3.693 8.658 1.00 0.00 H new ATOM 186 N ALA A 12 3.825 -4.202 5.064 1.00 0.00 N ATOM 187 CA ALA A 12 4.952 -3.719 4.211 1.00 0.00 C ATOM 188 C ALA A 12 4.378 -2.984 2.999 1.00 0.00 C ATOM 189 O ALA A 12 4.814 -1.904 2.682 1.00 0.00 O ATOM 190 CB ALA A 12 5.709 -4.965 3.758 1.00 0.00 C ATOM 0 H ALA A 12 3.719 -5.216 5.093 1.00 0.00 H new ATOM 0 HA ALA A 12 5.610 -3.036 4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.548 -4.672 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.081 -5.502 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.039 -5.612 3.192 1.00 0.00 H new ATOM 196 N PHE A 13 3.370 -3.560 2.353 1.00 0.00 N ATOM 197 CA PHE A 13 2.707 -2.890 1.180 1.00 0.00 C ATOM 198 C PHE A 13 2.224 -1.513 1.635 1.00 0.00 C ATOM 199 O PHE A 13 2.618 -0.498 1.100 1.00 0.00 O ATOM 200 CB PHE A 13 1.497 -3.796 0.822 1.00 0.00 C ATOM 201 CG PHE A 13 0.564 -3.099 -0.129 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.055 -2.524 -1.299 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.805 -3.065 0.147 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.182 -1.917 -2.187 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.678 -2.450 -0.742 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.187 -1.881 -1.906 1.00 0.00 C ATOM 0 H PHE A 13 2.982 -4.471 2.596 1.00 0.00 H new ATOM 0 HA PHE A 13 3.369 -2.761 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.853 -4.723 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.960 -4.067 1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.113 -2.551 -1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.185 -3.517 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.559 -1.472 -3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.736 -2.416 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.865 -1.407 -2.600 1.00 0.00 H new ATOM 216 N TYR A 14 1.400 -1.511 2.656 1.00 0.00 N ATOM 217 CA TYR A 14 0.858 -0.257 3.241 1.00 0.00 C ATOM 218 C TYR A 14 1.988 0.708 3.608 1.00 0.00 C ATOM 219 O TYR A 14 1.995 1.830 3.172 1.00 0.00 O ATOM 220 CB TYR A 14 0.151 -0.711 4.504 1.00 0.00 C ATOM 221 CG TYR A 14 -0.462 0.472 5.175 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.718 0.915 4.779 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.215 1.109 6.219 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.296 1.976 5.409 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.362 2.202 6.854 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.623 2.643 6.452 1.00 0.00 C ATOM 227 OH TYR A 14 -2.212 3.723 7.087 1.00 0.00 O ATOM 0 H TYR A 14 1.074 -2.360 3.119 1.00 0.00 H new ATOM 0 HA TYR A 14 0.205 0.269 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.617 -1.445 4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.858 -1.199 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.236 0.418 3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.185 0.752 6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.278 2.308 5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.162 2.706 7.653 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.252 4.483 6.470 1.00 0.00 H new ATOM 237 N GLU A 15 2.950 0.264 4.400 1.00 0.00 N ATOM 238 CA GLU A 15 4.080 1.166 4.790 1.00 0.00 C ATOM 239 C GLU A 15 4.813 1.647 3.530 1.00 0.00 C ATOM 240 O GLU A 15 5.109 2.813 3.421 1.00 0.00 O ATOM 241 CB GLU A 15 4.991 0.343 5.709 1.00 0.00 C ATOM 242 CG GLU A 15 4.312 0.103 7.077 1.00 0.00 C ATOM 243 CD GLU A 15 4.020 1.440 7.780 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.957 2.193 8.007 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.862 1.688 8.074 1.00 0.00 O ATOM 0 H GLU A 15 2.995 -0.679 4.787 1.00 0.00 H new ATOM 0 HA GLU A 15 3.737 2.059 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.222 -0.613 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.937 0.864 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.383 -0.450 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.956 -0.511 7.706 1.00 0.00 H new ATOM 252 N ILE A 16 5.034 0.780 2.546 1.00 0.00 N ATOM 253 CA ILE A 16 5.671 1.239 1.253 1.00 0.00 C ATOM 254 C ILE A 16 4.825 2.396 0.674 1.00 0.00 C ATOM 255 O ILE A 16 5.349 3.432 0.303 1.00 0.00 O ATOM 256 CB ILE A 16 5.689 -0.015 0.337 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.998 -0.769 0.606 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.600 0.358 -1.151 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.767 -2.269 0.519 1.00 0.00 C ATOM 0 H ILE A 16 4.803 -0.213 2.585 1.00 0.00 H new ATOM 0 HA ILE A 16 6.685 1.623 1.369 1.00 0.00 H new ATOM 0 HB ILE A 16 4.821 -0.634 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.755 -0.468 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.380 -0.509 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.616 -0.549 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.673 0.901 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.448 0.988 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.703 -2.793 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.025 -2.567 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.407 -2.524 -0.478 1.00 0.00 H new ATOM 271 N LEU A 17 3.517 2.220 0.647 1.00 0.00 N ATOM 272 CA LEU A 17 2.593 3.308 0.146 1.00 0.00 C ATOM 273 C LEU A 17 2.569 4.517 1.116 1.00 0.00 C ATOM 274 O LEU A 17 2.458 5.648 0.688 1.00 0.00 O ATOM 275 CB LEU A 17 1.179 2.695 0.098 1.00 0.00 C ATOM 276 CG LEU A 17 1.104 1.545 -0.913 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.380 0.364 -0.319 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.287 1.935 -2.111 1.00 0.00 C ATOM 0 H LEU A 17 3.046 1.368 0.951 1.00 0.00 H new ATOM 0 HA LEU A 17 2.931 3.662 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.905 2.330 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.455 3.465 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 17 2.133 1.306 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.337 -0.442 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.912 0.020 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.633 0.659 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.250 1.102 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.725 2.189 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.742 2.798 -2.597 1.00 0.00 H new ATOM 290 N HIS A 18 2.627 4.276 2.417 1.00 0.00 N ATOM 291 CA HIS A 18 2.551 5.391 3.433 1.00 0.00 C ATOM 292 C HIS A 18 3.932 5.990 3.805 1.00 0.00 C ATOM 293 O HIS A 18 3.982 6.930 4.583 1.00 0.00 O ATOM 294 CB HIS A 18 1.877 4.764 4.675 1.00 0.00 C ATOM 295 CG HIS A 18 0.397 4.565 4.415 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.303 3.567 3.783 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.563 5.500 4.785 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.640 3.887 3.742 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.758 5.034 4.361 1.00 0.00 N flip ATOM 0 H HIS A 18 2.725 3.344 2.820 1.00 0.00 H new ATOM 0 HA HIS A 18 1.991 6.231 3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.345 3.808 4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.019 5.410 5.541 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.107 2.715 3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.386 6.426 5.313 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.432 3.309 3.290 1.00 0.00 H new ATOM 307 N LEU A 19 5.044 5.494 3.269 1.00 0.00 N ATOM 308 CA LEU A 19 6.383 6.097 3.624 1.00 0.00 C ATOM 309 C LEU A 19 6.454 7.528 3.040 1.00 0.00 C ATOM 310 O LEU A 19 6.155 7.727 1.873 1.00 0.00 O ATOM 311 CB LEU A 19 7.468 5.193 3.000 1.00 0.00 C ATOM 312 CG LEU A 19 7.816 4.022 3.946 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.640 2.983 3.177 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.631 4.514 5.155 1.00 0.00 C ATOM 0 H LEU A 19 5.078 4.713 2.614 1.00 0.00 H new ATOM 0 HA LEU A 19 6.529 6.160 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.117 4.803 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.363 5.780 2.795 1.00 0.00 H new ATOM 0 HG LEU A 19 6.887 3.581 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.889 2.154 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.060 2.611 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.558 3.444 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.863 3.670 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.558 4.970 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.050 5.251 5.710 1.00 0.00 H new ATOM 326 N PRO A 20 6.807 8.490 3.885 1.00 0.00 N ATOM 327 CA PRO A 20 6.864 9.930 3.461 1.00 0.00 C ATOM 328 C PRO A 20 7.906 10.237 2.359 1.00 0.00 C ATOM 329 O PRO A 20 7.799 11.268 1.714 1.00 0.00 O ATOM 330 CB PRO A 20 7.202 10.670 4.757 1.00 0.00 C ATOM 331 CG PRO A 20 7.871 9.647 5.612 1.00 0.00 C ATOM 332 CD PRO A 20 7.194 8.343 5.301 1.00 0.00 C ATOM 0 HA PRO A 20 5.923 10.234 3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.858 11.520 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.304 11.061 5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.938 9.594 5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.772 9.896 6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.865 7.496 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.326 8.178 5.940 1.00 0.00 H new ATOM 340 N ASN A 21 8.901 9.392 2.128 1.00 0.00 N ATOM 341 CA ASN A 21 9.912 9.705 1.060 1.00 0.00 C ATOM 342 C ASN A 21 9.906 8.648 -0.066 1.00 0.00 C ATOM 343 O ASN A 21 10.766 8.675 -0.932 1.00 0.00 O ATOM 344 CB ASN A 21 11.264 9.761 1.786 1.00 0.00 C ATOM 345 CG ASN A 21 11.271 10.935 2.775 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.438 12.073 2.386 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.086 10.707 4.049 1.00 0.00 N ATOM 0 H ASN A 21 9.050 8.515 2.627 1.00 0.00 H new ATOM 0 HA ASN A 21 9.687 10.647 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.442 8.825 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.072 9.877 1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.082 11.483 4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.945 9.753 4.381 1.00 0.00 H new ATOM 354 N LEU A 22 8.925 7.748 -0.099 1.00 0.00 N ATOM 355 CA LEU A 22 8.864 6.746 -1.214 1.00 0.00 C ATOM 356 C LEU A 22 8.050 7.327 -2.369 1.00 0.00 C ATOM 357 O LEU A 22 7.066 8.023 -2.165 1.00 0.00 O ATOM 358 CB LEU A 22 8.187 5.467 -0.665 1.00 0.00 C ATOM 359 CG LEU A 22 9.187 4.549 0.083 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.721 3.097 -0.029 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.587 4.638 -0.523 1.00 0.00 C ATOM 0 H LEU A 22 8.179 7.674 0.593 1.00 0.00 H new ATOM 0 HA LEU A 22 9.862 6.508 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.379 5.747 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.736 4.914 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 22 9.224 4.875 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.422 2.448 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.731 2.997 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.677 2.809 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.263 3.982 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.551 4.331 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.947 5.665 -0.459 1.00 0.00 H new ATOM 373 N ASN A 23 8.461 7.042 -3.577 1.00 0.00 N ATOM 374 CA ASN A 23 7.736 7.563 -4.786 1.00 0.00 C ATOM 375 C ASN A 23 7.180 6.403 -5.613 1.00 0.00 C ATOM 376 O ASN A 23 7.217 5.265 -5.198 1.00 0.00 O ATOM 377 CB ASN A 23 8.759 8.390 -5.596 1.00 0.00 C ATOM 378 CG ASN A 23 10.063 7.605 -5.812 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.138 6.771 -6.684 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.096 7.841 -5.045 1.00 0.00 N ATOM 0 H ASN A 23 9.276 6.465 -3.785 1.00 0.00 H new ATOM 0 HA ASN A 23 6.886 8.183 -4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.330 8.660 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.975 9.321 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.963 7.322 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.035 8.544 -4.309 1.00 0.00 H new ATOM 387 N GLU A 24 6.656 6.695 -6.780 1.00 0.00 N ATOM 388 CA GLU A 24 6.074 5.610 -7.647 1.00 0.00 C ATOM 389 C GLU A 24 7.158 4.612 -8.103 1.00 0.00 C ATOM 390 O GLU A 24 6.882 3.445 -8.259 1.00 0.00 O ATOM 391 CB GLU A 24 5.401 6.322 -8.845 1.00 0.00 C ATOM 392 CG GLU A 24 6.426 7.090 -9.704 1.00 0.00 C ATOM 393 CD GLU A 24 6.243 8.600 -9.507 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.418 9.174 -10.197 1.00 0.00 O ATOM 395 OE2 GLU A 24 6.935 9.154 -8.666 1.00 0.00 O ATOM 0 H GLU A 24 6.604 7.635 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 24 5.345 5.016 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.887 5.586 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.643 7.014 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.439 6.798 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.298 6.833 -10.756 1.00 0.00 H new ATOM 402 N GLU A 25 8.389 5.041 -8.288 1.00 0.00 N ATOM 403 CA GLU A 25 9.458 4.071 -8.703 1.00 0.00 C ATOM 404 C GLU A 25 9.771 3.112 -7.536 1.00 0.00 C ATOM 405 O GLU A 25 9.796 1.907 -7.711 1.00 0.00 O ATOM 406 CB GLU A 25 10.683 4.931 -9.059 1.00 0.00 C ATOM 407 CG GLU A 25 11.779 4.054 -9.677 1.00 0.00 C ATOM 408 CD GLU A 25 13.040 4.891 -9.918 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.681 5.263 -8.946 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.349 5.142 -11.072 1.00 0.00 O ATOM 0 H GLU A 25 8.696 6.007 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 25 9.154 3.455 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.396 5.715 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.063 5.425 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.007 3.219 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.429 3.628 -10.617 1.00 0.00 H new ATOM 417 N GLN A 26 9.991 3.648 -6.349 1.00 0.00 N ATOM 418 CA GLN A 26 10.306 2.790 -5.152 1.00 0.00 C ATOM 419 C GLN A 26 9.055 2.076 -4.613 1.00 0.00 C ATOM 420 O GLN A 26 9.060 0.867 -4.467 1.00 0.00 O ATOM 421 CB GLN A 26 10.882 3.758 -4.103 1.00 0.00 C ATOM 422 CG GLN A 26 12.415 3.792 -4.218 1.00 0.00 C ATOM 423 CD GLN A 26 12.838 4.313 -5.602 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.655 5.472 -5.911 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.390 3.494 -6.455 1.00 0.00 N ATOM 0 H GLN A 26 9.965 4.650 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 26 11.007 1.996 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.474 4.758 -4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.589 3.441 -3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.830 4.432 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.820 2.793 -4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.545 2.519 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.666 3.829 -7.378 1.00 0.00 H new ATOM 434 N ARG A 27 8.005 2.809 -4.300 1.00 0.00 N ATOM 435 CA ARG A 27 6.757 2.177 -3.739 1.00 0.00 C ATOM 436 C ARG A 27 6.148 1.113 -4.682 1.00 0.00 C ATOM 437 O ARG A 27 5.808 0.029 -4.246 1.00 0.00 O ATOM 438 CB ARG A 27 5.747 3.326 -3.578 1.00 0.00 C ATOM 439 CG ARG A 27 4.407 2.804 -3.052 1.00 0.00 C ATOM 440 CD ARG A 27 3.334 3.884 -3.216 1.00 0.00 C ATOM 441 NE ARG A 27 3.105 3.984 -4.694 1.00 0.00 N ATOM 442 CZ ARG A 27 3.186 5.140 -5.323 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.126 6.008 -5.019 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.321 5.424 -6.268 1.00 0.00 N ATOM 0 H ARG A 27 7.958 3.822 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 27 6.994 1.668 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.146 4.073 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.598 3.822 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.117 1.904 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.500 2.527 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.417 3.612 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.667 4.836 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 27 2.882 3.141 -5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.804 5.791 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.177 6.899 -5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.593 4.753 -6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.377 6.316 -6.759 1.00 0.00 H new ATOM 458 N ASN A 28 5.982 1.427 -5.958 1.00 0.00 N ATOM 459 CA ASN A 28 5.356 0.434 -6.914 1.00 0.00 C ATOM 460 C ASN A 28 6.292 -0.759 -7.121 1.00 0.00 C ATOM 461 O ASN A 28 5.843 -1.891 -7.156 1.00 0.00 O ATOM 462 CB ASN A 28 5.116 1.166 -8.244 1.00 0.00 C ATOM 463 CG ASN A 28 4.271 2.442 -8.056 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.734 2.692 -6.997 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.125 3.265 -9.057 1.00 0.00 N ATOM 0 H ASN A 28 6.250 2.318 -6.375 1.00 0.00 H new ATOM 0 HA ASN A 28 4.416 0.053 -6.515 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.075 1.429 -8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.612 0.496 -8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.564 4.109 -8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.572 3.064 -9.952 1.00 0.00 H new ATOM 472 N ALA A 29 7.595 -0.516 -7.218 1.00 0.00 N ATOM 473 CA ALA A 29 8.572 -1.651 -7.371 1.00 0.00 C ATOM 474 C ALA A 29 8.467 -2.573 -6.160 1.00 0.00 C ATOM 475 O ALA A 29 8.534 -3.780 -6.279 1.00 0.00 O ATOM 476 CB ALA A 29 9.938 -1.012 -7.374 1.00 0.00 C ATOM 0 H ALA A 29 8.014 0.414 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 29 8.382 -2.231 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.700 -1.783 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.010 -0.311 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.092 -0.479 -6.436 1.00 0.00 H new ATOM 482 N PHE A 30 8.276 -1.988 -4.995 1.00 0.00 N ATOM 483 CA PHE A 30 8.119 -2.793 -3.752 1.00 0.00 C ATOM 484 C PHE A 30 6.876 -3.631 -3.846 1.00 0.00 C ATOM 485 O PHE A 30 6.895 -4.790 -3.522 1.00 0.00 O ATOM 486 CB PHE A 30 7.986 -1.783 -2.626 1.00 0.00 C ATOM 487 CG PHE A 30 9.358 -1.318 -2.218 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.452 -2.193 -2.303 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.534 -0.030 -1.724 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.698 -1.784 -1.903 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.796 0.377 -1.310 1.00 0.00 C ATOM 492 CZ PHE A 30 11.877 -0.513 -1.401 1.00 0.00 C ATOM 0 H PHE A 30 8.223 -0.978 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 30 8.961 -3.466 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.383 -0.935 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.473 -2.233 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.312 -3.193 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.696 0.649 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.539 -2.457 -1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.944 1.373 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.858 -0.199 -1.075 1.00 0.00 H new ATOM 502 N ILE A 31 5.815 -3.055 -4.332 1.00 0.00 N ATOM 503 CA ILE A 31 4.560 -3.822 -4.509 1.00 0.00 C ATOM 504 C ILE A 31 4.805 -4.955 -5.532 1.00 0.00 C ATOM 505 O ILE A 31 4.178 -5.985 -5.445 1.00 0.00 O ATOM 506 CB ILE A 31 3.531 -2.772 -4.939 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.281 -1.858 -3.738 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.230 -3.429 -5.353 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.657 -0.550 -4.187 1.00 0.00 C ATOM 0 H ILE A 31 5.766 -2.077 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 31 4.198 -4.332 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 31 3.909 -2.210 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.623 -2.356 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.220 -1.661 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.515 -2.663 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.413 -4.103 -6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.824 -3.994 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.486 0.088 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.329 -0.046 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.707 -0.751 -4.682 1.00 0.00 H new ATOM 521 N GLN A 32 5.763 -4.801 -6.450 1.00 0.00 N ATOM 522 CA GLN A 32 6.081 -5.919 -7.407 1.00 0.00 C ATOM 523 C GLN A 32 6.864 -7.024 -6.661 1.00 0.00 C ATOM 524 O GLN A 32 6.477 -8.178 -6.674 1.00 0.00 O ATOM 525 CB GLN A 32 6.940 -5.304 -8.525 1.00 0.00 C ATOM 526 CG GLN A 32 6.070 -4.386 -9.383 1.00 0.00 C ATOM 527 CD GLN A 32 6.904 -3.755 -10.505 1.00 0.00 C ATOM 528 OE1 GLN A 32 8.004 -3.288 -10.282 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.418 -3.717 -11.718 1.00 0.00 N ATOM 0 H GLN A 32 6.324 -3.958 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 32 5.179 -6.371 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.769 -4.741 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.375 -6.092 -9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.243 -4.953 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.633 -3.604 -8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.496 -4.107 -11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.961 -3.297 -12.472 1.00 0.00 H new ATOM 538 N SER A 33 7.940 -6.656 -5.973 1.00 0.00 N ATOM 539 CA SER A 33 8.752 -7.651 -5.171 1.00 0.00 C ATOM 540 C SER A 33 7.917 -8.239 -4.011 1.00 0.00 C ATOM 541 O SER A 33 8.095 -9.381 -3.626 1.00 0.00 O ATOM 542 CB SER A 33 9.953 -6.859 -4.635 1.00 0.00 C ATOM 543 OG SER A 33 9.504 -5.657 -4.019 1.00 0.00 O ATOM 0 H SER A 33 8.291 -5.699 -5.935 1.00 0.00 H new ATOM 0 HA SER A 33 9.067 -8.498 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.506 -7.463 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.639 -6.626 -5.449 1.00 0.00 H new ATOM 0 HG SER A 33 8.524 -5.648 -3.994 1.00 0.00 H new ATOM 549 N LEU A 34 7.017 -7.449 -3.468 1.00 0.00 N ATOM 550 CA LEU A 34 6.143 -7.891 -2.336 1.00 0.00 C ATOM 551 C LEU A 34 4.988 -8.785 -2.842 1.00 0.00 C ATOM 552 O LEU A 34 4.715 -9.819 -2.255 1.00 0.00 O ATOM 553 CB LEU A 34 5.633 -6.563 -1.747 1.00 0.00 C ATOM 554 CG LEU A 34 4.865 -6.773 -0.445 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.830 -6.967 0.703 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.016 -5.542 -0.162 1.00 0.00 C ATOM 0 H LEU A 34 6.850 -6.490 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 34 6.664 -8.501 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.478 -5.898 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.988 -6.068 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 34 4.235 -7.657 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.271 -7.116 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.453 -7.841 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.462 -6.085 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.465 -5.686 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.661 -4.668 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.313 -5.389 -0.981 1.00 0.00 H new ATOM 568 N LYS A 35 4.311 -8.401 -3.926 1.00 0.00 N ATOM 569 CA LYS A 35 3.174 -9.241 -4.465 1.00 0.00 C ATOM 570 C LYS A 35 3.722 -10.584 -5.002 1.00 0.00 C ATOM 571 O LYS A 35 3.046 -11.595 -4.928 1.00 0.00 O ATOM 572 CB LYS A 35 2.464 -8.402 -5.569 1.00 0.00 C ATOM 573 CG LYS A 35 1.297 -7.613 -4.975 1.00 0.00 C ATOM 574 CD LYS A 35 0.064 -7.758 -5.880 1.00 0.00 C ATOM 575 CE LYS A 35 -1.213 -7.678 -5.029 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.698 -9.084 -4.888 1.00 0.00 N ATOM 0 H LYS A 35 4.500 -7.548 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 35 2.452 -9.491 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.177 -7.717 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.101 -9.061 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.070 -7.978 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.568 -6.562 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.060 -6.972 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.100 -8.709 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.006 -7.236 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.964 -7.052 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.338 -9.150 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.207 -9.364 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.887 -9.718 -4.744 1.00 0.00 H new ATOM 590 N ASP A 36 4.953 -10.605 -5.501 1.00 0.00 N ATOM 591 CA ASP A 36 5.560 -11.891 -5.997 1.00 0.00 C ATOM 592 C ASP A 36 6.088 -12.742 -4.823 1.00 0.00 C ATOM 593 O ASP A 36 5.791 -13.922 -4.738 1.00 0.00 O ATOM 594 CB ASP A 36 6.728 -11.489 -6.923 1.00 0.00 C ATOM 595 CG ASP A 36 6.225 -11.152 -8.338 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.392 -11.883 -8.858 1.00 0.00 O ATOM 597 OD2 ASP A 36 6.704 -10.179 -8.892 1.00 0.00 O ATOM 0 H ASP A 36 5.556 -9.787 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 36 4.817 -12.492 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.248 -10.627 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.451 -12.303 -6.975 1.00 0.00 H new ATOM 602 N ASP A 37 6.884 -12.161 -3.932 1.00 0.00 N ATOM 603 CA ASP A 37 7.449 -12.945 -2.779 1.00 0.00 C ATOM 604 C ASP A 37 6.913 -12.436 -1.420 1.00 0.00 C ATOM 605 O ASP A 37 7.209 -11.323 -1.017 1.00 0.00 O ATOM 606 CB ASP A 37 8.966 -12.751 -2.867 1.00 0.00 C ATOM 607 CG ASP A 37 9.672 -13.804 -1.999 1.00 0.00 C ATOM 608 OD1 ASP A 37 9.793 -13.579 -0.804 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.076 -14.815 -2.545 1.00 0.00 O ATOM 0 H ASP A 37 7.162 -11.180 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 37 7.161 -13.995 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.294 -12.839 -3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.235 -11.749 -2.532 1.00 0.00 H new ATOM 614 N PRO A 38 6.138 -13.285 -0.757 1.00 0.00 N ATOM 615 CA PRO A 38 5.554 -12.936 0.579 1.00 0.00 C ATOM 616 C PRO A 38 6.615 -12.915 1.711 1.00 0.00 C ATOM 617 O PRO A 38 6.505 -12.131 2.639 1.00 0.00 O ATOM 618 CB PRO A 38 4.558 -14.072 0.824 1.00 0.00 C ATOM 619 CG PRO A 38 5.078 -15.222 0.034 1.00 0.00 C ATOM 620 CD PRO A 38 5.721 -14.635 -1.185 1.00 0.00 C ATOM 0 HA PRO A 38 5.115 -11.938 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.494 -14.319 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.555 -13.793 0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.798 -15.799 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.272 -15.902 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.573 -15.231 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.023 -14.590 -2.021 1.00 0.00 H new ATOM 628 N SER A 39 7.601 -13.796 1.664 1.00 0.00 N ATOM 629 CA SER A 39 8.644 -13.874 2.756 1.00 0.00 C ATOM 630 C SER A 39 9.521 -12.614 2.859 1.00 0.00 C ATOM 631 O SER A 39 9.905 -12.239 3.954 1.00 0.00 O ATOM 632 CB SER A 39 9.503 -15.097 2.412 1.00 0.00 C ATOM 633 OG SER A 39 10.336 -15.417 3.521 1.00 0.00 O ATOM 0 H SER A 39 7.728 -14.470 0.909 1.00 0.00 H new ATOM 0 HA SER A 39 8.157 -13.955 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.865 -15.946 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.113 -14.891 1.532 1.00 0.00 H new ATOM 0 HG SER A 39 9.801 -15.418 4.342 1.00 0.00 H new ATOM 639 N GLN A 40 9.840 -11.955 1.760 1.00 0.00 N ATOM 640 CA GLN A 40 10.694 -10.721 1.856 1.00 0.00 C ATOM 641 C GLN A 40 9.842 -9.467 2.126 1.00 0.00 C ATOM 642 O GLN A 40 10.354 -8.377 2.054 1.00 0.00 O ATOM 643 CB GLN A 40 11.445 -10.595 0.514 1.00 0.00 C ATOM 644 CG GLN A 40 10.464 -10.296 -0.615 1.00 0.00 C ATOM 645 CD GLN A 40 11.235 -9.960 -1.897 1.00 0.00 C ATOM 646 OE1 GLN A 40 11.435 -8.803 -2.210 1.00 0.00 O ATOM 647 NE2 GLN A 40 11.691 -10.925 -2.652 1.00 0.00 N ATOM 0 H GLN A 40 9.550 -12.214 0.817 1.00 0.00 H new ATOM 0 HA GLN A 40 11.391 -10.804 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.189 -9.801 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.983 -11.519 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.817 -11.156 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.820 -9.462 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.525 -11.897 -2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.213 -10.706 -3.501 1.00 0.00 H new ATOM 656 N SER A 41 8.556 -9.603 2.417 1.00 0.00 N ATOM 657 CA SER A 41 7.701 -8.389 2.659 1.00 0.00 C ATOM 658 C SER A 41 8.249 -7.517 3.795 1.00 0.00 C ATOM 659 O SER A 41 8.340 -6.315 3.634 1.00 0.00 O ATOM 660 CB SER A 41 6.296 -8.915 2.999 1.00 0.00 C ATOM 661 OG SER A 41 6.334 -9.692 4.193 1.00 0.00 O ATOM 0 H SER A 41 8.070 -10.496 2.496 1.00 0.00 H new ATOM 0 HA SER A 41 7.687 -7.750 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.608 -8.079 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.918 -9.520 2.175 1.00 0.00 H new ATOM 0 HG SER A 41 6.395 -10.643 3.963 1.00 0.00 H new ATOM 667 N ALA A 42 8.650 -8.092 4.916 1.00 0.00 N ATOM 668 CA ALA A 42 9.234 -7.235 6.007 1.00 0.00 C ATOM 669 C ALA A 42 10.499 -6.563 5.484 1.00 0.00 C ATOM 670 O ALA A 42 10.671 -5.370 5.624 1.00 0.00 O ATOM 671 CB ALA A 42 9.631 -8.171 7.116 1.00 0.00 C ATOM 0 H ALA A 42 8.600 -9.091 5.117 1.00 0.00 H new ATOM 0 HA ALA A 42 8.523 -6.479 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.063 -7.599 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.752 -8.709 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.367 -8.884 6.744 1.00 0.00 H new ATOM 677 N ASN A 43 11.363 -7.340 4.845 1.00 0.00 N ATOM 678 CA ASN A 43 12.613 -6.783 4.240 1.00 0.00 C ATOM 679 C ASN A 43 12.242 -5.690 3.254 1.00 0.00 C ATOM 680 O ASN A 43 12.913 -4.700 3.170 1.00 0.00 O ATOM 681 CB ASN A 43 13.246 -7.926 3.459 1.00 0.00 C ATOM 682 CG ASN A 43 14.215 -8.707 4.352 1.00 0.00 C ATOM 683 OD1 ASN A 43 13.951 -9.839 4.704 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.332 -8.150 4.737 1.00 0.00 N ATOM 0 H ASN A 43 11.244 -8.346 4.721 1.00 0.00 H new ATOM 0 HA ASN A 43 13.280 -6.378 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.470 -8.592 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.776 -7.533 2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.980 -8.666 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.556 -7.199 4.443 1.00 0.00 H new ATOM 691 N LEU A 44 11.158 -5.884 2.523 1.00 0.00 N ATOM 692 CA LEU A 44 10.694 -4.862 1.539 1.00 0.00 C ATOM 693 C LEU A 44 10.287 -3.615 2.251 1.00 0.00 C ATOM 694 O LEU A 44 10.639 -2.535 1.828 1.00 0.00 O ATOM 695 CB LEU A 44 9.521 -5.472 0.807 1.00 0.00 C ATOM 696 CG LEU A 44 10.076 -6.444 -0.200 1.00 0.00 C ATOM 697 CD1 LEU A 44 8.915 -7.147 -0.872 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.933 -5.662 -1.202 1.00 0.00 C ATOM 0 H LEU A 44 10.575 -6.719 2.574 1.00 0.00 H new ATOM 0 HA LEU A 44 11.485 -4.591 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.855 -5.980 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.934 -4.699 0.311 1.00 0.00 H new ATOM 0 HG LEU A 44 10.706 -7.200 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.295 -7.857 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.329 -7.679 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.284 -6.412 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.345 -6.348 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.317 -4.916 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.747 -5.165 -0.674 1.00 0.00 H new ATOM 710 N LEU A 45 9.601 -3.742 3.358 1.00 0.00 N ATOM 711 CA LEU A 45 9.274 -2.513 4.108 1.00 0.00 C ATOM 712 C LEU A 45 10.579 -1.956 4.680 1.00 0.00 C ATOM 713 O LEU A 45 10.817 -0.787 4.598 1.00 0.00 O ATOM 714 CB LEU A 45 8.304 -2.893 5.199 1.00 0.00 C ATOM 715 CG LEU A 45 8.147 -1.720 6.166 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.889 -0.413 5.383 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.991 -2.026 7.103 1.00 0.00 C ATOM 0 H LEU A 45 9.266 -4.618 3.758 1.00 0.00 H new ATOM 0 HA LEU A 45 8.815 -1.748 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.338 -3.155 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.665 -3.773 5.732 1.00 0.00 H new ATOM 0 HG LEU A 45 9.061 -1.584 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.779 0.415 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.729 -0.216 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.977 -0.515 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.861 -1.200 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.077 -2.157 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.204 -2.941 7.657 1.00 0.00 H new ATOM 729 N ALA A 46 11.435 -2.800 5.224 1.00 0.00 N ATOM 730 CA ALA A 46 12.757 -2.309 5.756 1.00 0.00 C ATOM 731 C ALA A 46 13.533 -1.588 4.656 1.00 0.00 C ATOM 732 O ALA A 46 14.036 -0.516 4.881 1.00 0.00 O ATOM 733 CB ALA A 46 13.542 -3.551 6.132 1.00 0.00 C ATOM 0 H ALA A 46 11.276 -3.803 5.322 1.00 0.00 H new ATOM 0 HA ALA A 46 12.606 -1.627 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.516 -3.260 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.995 -4.111 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.680 -4.175 5.249 1.00 0.00 H new ATOM 739 N GLU A 47 13.617 -2.168 3.465 1.00 0.00 N ATOM 740 CA GLU A 47 14.339 -1.490 2.346 1.00 0.00 C ATOM 741 C GLU A 47 13.527 -0.271 1.907 1.00 0.00 C ATOM 742 O GLU A 47 14.096 0.754 1.602 1.00 0.00 O ATOM 743 CB GLU A 47 14.581 -2.513 1.221 1.00 0.00 C ATOM 744 CG GLU A 47 13.307 -3.106 0.679 1.00 0.00 C ATOM 745 CD GLU A 47 13.666 -4.333 -0.173 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.735 -5.417 0.387 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.879 -4.169 -1.362 1.00 0.00 O ATOM 0 H GLU A 47 13.215 -3.076 3.233 1.00 0.00 H new ATOM 0 HA GLU A 47 15.318 -1.123 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.124 -2.030 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.217 -3.314 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.645 -3.392 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.772 -2.371 0.078 1.00 0.00 H new ATOM 754 N ALA A 48 12.198 -0.341 1.934 1.00 0.00 N ATOM 755 CA ALA A 48 11.386 0.859 1.609 1.00 0.00 C ATOM 756 C ALA A 48 11.596 1.935 2.688 1.00 0.00 C ATOM 757 O ALA A 48 11.668 3.109 2.383 1.00 0.00 O ATOM 758 CB ALA A 48 9.961 0.351 1.639 1.00 0.00 C ATOM 0 H ALA A 48 11.663 -1.178 2.167 1.00 0.00 H new ATOM 0 HA ALA A 48 11.649 1.311 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.278 1.169 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.841 -0.440 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.736 -0.042 2.630 1.00 0.00 H new ATOM 764 N LYS A 49 11.743 1.522 3.937 1.00 0.00 N ATOM 765 CA LYS A 49 12.010 2.478 5.055 1.00 0.00 C ATOM 766 C LYS A 49 13.466 2.946 4.942 1.00 0.00 C ATOM 767 O LYS A 49 13.791 4.098 5.164 1.00 0.00 O ATOM 768 CB LYS A 49 11.746 1.667 6.324 1.00 0.00 C ATOM 769 CG LYS A 49 10.334 1.999 6.798 1.00 0.00 C ATOM 770 CD LYS A 49 9.718 0.777 7.450 1.00 0.00 C ATOM 771 CE LYS A 49 10.190 0.698 8.893 1.00 0.00 C ATOM 772 NZ LYS A 49 9.428 -0.434 9.504 1.00 0.00 N ATOM 0 H LYS A 49 11.687 0.545 4.223 1.00 0.00 H new ATOM 0 HA LYS A 49 11.390 3.374 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.842 0.600 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.476 1.913 7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.362 2.827 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.723 2.322 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.630 0.837 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.006 -0.124 6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.264 0.521 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.995 1.632 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.707 -0.542 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.409 -0.236 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.638 -1.312 8.988 1.00 0.00 H new ATOM 786 N LYS A 50 14.317 2.039 4.506 1.00 0.00 N ATOM 787 CA LYS A 50 15.754 2.343 4.238 1.00 0.00 C ATOM 788 C LYS A 50 15.792 3.389 3.106 1.00 0.00 C ATOM 789 O LYS A 50 16.561 4.330 3.144 1.00 0.00 O ATOM 790 CB LYS A 50 16.317 0.970 3.805 1.00 0.00 C ATOM 791 CG LYS A 50 17.572 1.080 2.934 1.00 0.00 C ATOM 792 CD LYS A 50 17.620 -0.139 1.992 1.00 0.00 C ATOM 793 CE LYS A 50 18.020 -1.396 2.783 1.00 0.00 C ATOM 794 NZ LYS A 50 18.213 -2.466 1.760 1.00 0.00 N ATOM 0 H LYS A 50 14.058 1.070 4.321 1.00 0.00 H new ATOM 0 HA LYS A 50 16.326 2.755 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.550 0.383 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.548 0.426 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.553 2.004 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.465 1.112 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.646 -0.287 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.335 0.039 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.934 -1.227 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.246 -1.672 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.487 -3.352 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.325 -2.612 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.961 -2.181 1.096 1.00 0.00 H new ATOM 808 N LEU A 51 14.906 3.236 2.128 1.00 0.00 N ATOM 809 CA LEU A 51 14.800 4.219 1.003 1.00 0.00 C ATOM 810 C LEU A 51 14.162 5.510 1.517 1.00 0.00 C ATOM 811 O LEU A 51 14.531 6.590 1.115 1.00 0.00 O ATOM 812 CB LEU A 51 13.872 3.555 -0.028 1.00 0.00 C ATOM 813 CG LEU A 51 14.660 2.897 -1.169 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.997 2.334 -0.680 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.834 1.752 -1.738 1.00 0.00 C ATOM 0 H LEU A 51 14.249 2.458 2.071 1.00 0.00 H new ATOM 0 HA LEU A 51 15.772 4.468 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.257 2.804 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.193 4.302 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 51 14.861 3.656 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.526 1.876 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.602 3.141 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.816 1.584 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.383 1.276 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.638 1.020 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.888 2.139 -2.117 1.00 0.00 H new ATOM 827 N ASN A 52 13.207 5.382 2.415 1.00 0.00 N ATOM 828 CA ASN A 52 12.514 6.568 3.000 1.00 0.00 C ATOM 829 C ASN A 52 13.534 7.521 3.647 1.00 0.00 C ATOM 830 O ASN A 52 13.424 8.715 3.512 1.00 0.00 O ATOM 831 CB ASN A 52 11.568 5.985 4.057 1.00 0.00 C ATOM 832 CG ASN A 52 10.661 7.080 4.607 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.746 7.511 3.944 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.884 7.550 5.803 1.00 0.00 N ATOM 0 H ASN A 52 12.877 4.485 2.770 1.00 0.00 H new ATOM 0 HA ASN A 52 11.980 7.149 2.248 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.966 5.189 3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.145 5.539 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.286 8.284 6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.657 7.184 6.359 1.00 0.00 H new ATOM 841 N ASP A 53 14.526 6.985 4.336 1.00 0.00 N ATOM 842 CA ASP A 53 15.570 7.854 4.985 1.00 0.00 C ATOM 843 C ASP A 53 16.691 8.208 3.989 1.00 0.00 C ATOM 844 O ASP A 53 17.164 9.333 3.967 1.00 0.00 O ATOM 845 CB ASP A 53 16.123 7.026 6.144 1.00 0.00 C ATOM 846 CG ASP A 53 16.937 7.924 7.082 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.343 8.510 7.971 1.00 0.00 O ATOM 848 OD2 ASP A 53 18.141 8.011 6.893 1.00 0.00 O ATOM 0 H ASP A 53 14.656 5.983 4.475 1.00 0.00 H new ATOM 0 HA ASP A 53 15.149 8.800 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.305 6.559 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.750 6.221 5.761 1.00 0.00 H new ATOM 853 N ALA A 54 17.120 7.258 3.169 1.00 0.00 N ATOM 854 CA ALA A 54 18.209 7.540 2.167 1.00 0.00 C ATOM 855 C ALA A 54 17.716 8.578 1.145 1.00 0.00 C ATOM 856 O ALA A 54 18.363 9.585 0.918 1.00 0.00 O ATOM 857 CB ALA A 54 18.497 6.196 1.487 1.00 0.00 C ATOM 0 H ALA A 54 16.761 6.303 3.154 1.00 0.00 H new ATOM 0 HA ALA A 54 19.107 7.948 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.283 6.326 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.821 5.472 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.592 5.833 1.000 1.00 0.00 H new ATOM 863 N GLN A 55 16.548 8.353 0.570 1.00 0.00 N ATOM 864 CA GLN A 55 15.954 9.336 -0.400 1.00 0.00 C ATOM 865 C GLN A 55 15.523 10.617 0.345 1.00 0.00 C ATOM 866 O GLN A 55 15.472 11.685 -0.240 1.00 0.00 O ATOM 867 CB GLN A 55 14.732 8.653 -1.022 1.00 0.00 C ATOM 868 CG GLN A 55 15.165 7.421 -1.835 1.00 0.00 C ATOM 869 CD GLN A 55 13.953 6.861 -2.579 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.969 6.746 -3.784 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.891 6.517 -1.904 1.00 0.00 N ATOM 0 H GLN A 55 15.979 7.523 0.735 1.00 0.00 H new ATOM 0 HA GLN A 55 16.676 9.622 -1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.036 8.354 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.203 9.355 -1.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.948 7.694 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.584 6.662 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.878 6.614 -0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.073 6.151 -2.392 1.00 0.00 H new ATOM 880 N ALA A 56 15.204 10.506 1.636 1.00 0.00 N ATOM 881 CA ALA A 56 14.765 11.699 2.446 1.00 0.00 C ATOM 882 C ALA A 56 15.805 12.822 2.429 1.00 0.00 C ATOM 883 O ALA A 56 16.978 12.588 2.182 1.00 0.00 O ATOM 884 CB ALA A 56 14.610 11.210 3.893 1.00 0.00 C ATOM 0 H ALA A 56 15.233 9.630 2.157 1.00 0.00 H new ATOM 0 HA ALA A 56 13.841 12.099 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.292 12.039 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.863 10.417 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.565 10.826 4.252 1.00 0.00 H new ATOM 890 N PRO A 57 15.327 14.014 2.725 1.00 0.00 N ATOM 891 CA PRO A 57 16.213 15.206 2.776 1.00 0.00 C ATOM 892 C PRO A 57 17.228 15.103 3.940 1.00 0.00 C ATOM 893 O PRO A 57 18.311 15.656 3.860 1.00 0.00 O ATOM 894 CB PRO A 57 15.238 16.367 2.966 1.00 0.00 C ATOM 895 CG PRO A 57 14.030 15.757 3.596 1.00 0.00 C ATOM 896 CD PRO A 57 13.928 14.364 3.043 1.00 0.00 C ATOM 0 HA PRO A 57 16.827 15.321 1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.666 17.142 3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.992 16.836 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.124 15.739 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.136 16.335 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.497 13.675 3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.295 14.330 2.157 1.00 0.00 H new ATOM 904 N LYS A 58 16.892 14.386 5.002 1.00 0.00 N ATOM 905 CA LYS A 58 17.840 14.226 6.155 1.00 0.00 C ATOM 906 C LYS A 58 18.795 13.043 5.896 1.00 0.00 C ATOM 907 O LYS A 58 18.321 11.981 5.508 1.00 0.00 O ATOM 908 CB LYS A 58 16.953 13.954 7.380 1.00 0.00 C ATOM 909 CG LYS A 58 17.778 14.109 8.666 1.00 0.00 C ATOM 910 CD LYS A 58 17.684 12.825 9.504 1.00 0.00 C ATOM 911 CE LYS A 58 18.862 11.893 9.167 1.00 0.00 C ATOM 912 NZ LYS A 58 18.280 10.772 8.368 1.00 0.00 N ATOM 913 OXT LYS A 58 19.984 13.218 6.098 1.00 0.00 O ATOM 0 H LYS A 58 15.999 13.907 5.113 1.00 0.00 H new ATOM 0 HA LYS A 58 18.462 15.109 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.111 14.646 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.537 12.948 7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.819 14.317 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.412 14.958 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.696 13.071 10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.740 12.319 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.628 12.421 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.338 11.521 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.967 9.994 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.411 10.433 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.056 11.108 7.410 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 5.984 -15.193 -17.128 1.00 0.00 N ATOM 929 CA VAL B 1 5.903 -14.089 -16.102 1.00 0.00 C ATOM 930 C VAL B 1 4.654 -14.260 -15.213 1.00 0.00 C ATOM 931 O VAL B 1 3.732 -14.983 -15.556 1.00 0.00 O ATOM 932 CB VAL B 1 5.839 -12.739 -16.866 1.00 0.00 C ATOM 933 CG1 VAL B 1 7.190 -12.441 -17.526 1.00 0.00 C ATOM 934 CG2 VAL B 1 4.739 -12.762 -17.944 1.00 0.00 C ATOM 0 H1 VAL B 1 6.430 -14.830 -17.995 1.00 0.00 H new ATOM 0 H2 VAL B 1 6.552 -15.978 -16.750 1.00 0.00 H new ATOM 0 H3 VAL B 1 5.026 -15.534 -17.348 1.00 0.00 H new ATOM 0 HA VAL B 1 6.776 -14.119 -15.450 1.00 0.00 H new ATOM 0 HB VAL B 1 5.603 -11.958 -16.143 1.00 0.00 H new ATOM 0 HG11 VAL B 1 7.133 -11.492 -18.059 1.00 0.00 H new ATOM 0 HG12 VAL B 1 7.964 -12.382 -16.760 1.00 0.00 H new ATOM 0 HG13 VAL B 1 7.435 -13.237 -18.229 1.00 0.00 H new ATOM 0 HG21 VAL B 1 4.718 -11.803 -18.463 1.00 0.00 H new ATOM 0 HG22 VAL B 1 4.948 -13.557 -18.660 1.00 0.00 H new ATOM 0 HG23 VAL B 1 3.772 -12.942 -17.474 1.00 0.00 H new ATOM 946 N ASP B 2 4.627 -13.589 -14.079 1.00 0.00 N ATOM 947 CA ASP B 2 3.447 -13.691 -13.147 1.00 0.00 C ATOM 948 C ASP B 2 2.282 -12.796 -13.627 1.00 0.00 C ATOM 949 O ASP B 2 2.417 -12.039 -14.576 1.00 0.00 O ATOM 950 CB ASP B 2 3.966 -13.238 -11.762 1.00 0.00 C ATOM 951 CG ASP B 2 4.342 -11.746 -11.775 1.00 0.00 C ATOM 952 OD1 ASP B 2 3.453 -10.929 -11.606 1.00 0.00 O ATOM 953 OD2 ASP B 2 5.512 -11.448 -11.947 1.00 0.00 O ATOM 0 H ASP B 2 5.374 -12.973 -13.757 1.00 0.00 H new ATOM 0 HA ASP B 2 3.053 -14.707 -13.111 1.00 0.00 H new ATOM 0 HB2 ASP B 2 3.201 -13.417 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP B 2 4.835 -13.833 -11.483 1.00 0.00 H new ATOM 958 N ASN B 3 1.146 -12.876 -12.958 1.00 0.00 N ATOM 959 CA ASN B 3 -0.044 -12.035 -13.342 1.00 0.00 C ATOM 960 C ASN B 3 -0.600 -11.278 -12.114 1.00 0.00 C ATOM 961 O ASN B 3 -1.801 -11.206 -11.900 1.00 0.00 O ATOM 962 CB ASN B 3 -1.076 -13.018 -13.945 1.00 0.00 C ATOM 963 CG ASN B 3 -1.457 -14.118 -12.935 1.00 0.00 C ATOM 964 OD1 ASN B 3 -2.380 -13.958 -12.162 1.00 0.00 O ATOM 965 ND2 ASN B 3 -0.786 -15.240 -12.918 1.00 0.00 N ATOM 0 H ASN B 3 0.993 -13.491 -12.159 1.00 0.00 H new ATOM 0 HA ASN B 3 0.216 -11.263 -14.066 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -1.970 -12.471 -14.245 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -0.664 -13.474 -14.845 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -1.039 -15.975 -12.258 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.010 -15.380 -13.565 1.00 0.00 H new ATOM 972 N LYS B 4 0.278 -10.700 -11.318 1.00 0.00 N ATOM 973 CA LYS B 4 -0.169 -9.932 -10.100 1.00 0.00 C ATOM 974 C LYS B 4 -0.599 -8.503 -10.488 1.00 0.00 C ATOM 975 O LYS B 4 -0.144 -7.957 -11.484 1.00 0.00 O ATOM 976 CB LYS B 4 1.052 -9.915 -9.153 1.00 0.00 C ATOM 977 CG LYS B 4 2.114 -8.925 -9.658 1.00 0.00 C ATOM 978 CD LYS B 4 3.441 -9.174 -8.942 1.00 0.00 C ATOM 979 CE LYS B 4 4.452 -8.085 -9.328 1.00 0.00 C ATOM 980 NZ LYS B 4 4.975 -8.463 -10.675 1.00 0.00 N ATOM 0 H LYS B 4 1.288 -10.727 -11.459 1.00 0.00 H new ATOM 0 HA LYS B 4 -1.034 -10.391 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.736 -9.636 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.481 -10.915 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.245 -9.037 -10.734 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.782 -7.902 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS B 4 3.288 -9.175 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.831 -10.156 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.977 -7.104 -9.356 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.260 -8.027 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 5.962 -8.780 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.397 -9.233 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 4.931 -7.639 -11.308 1.00 0.00 H new ATOM 994 N PHE B 5 -1.467 -7.896 -9.705 1.00 0.00 N ATOM 995 CA PHE B 5 -1.937 -6.508 -10.006 1.00 0.00 C ATOM 996 C PHE B 5 -1.131 -5.482 -9.181 1.00 0.00 C ATOM 997 O PHE B 5 -1.691 -4.654 -8.481 1.00 0.00 O ATOM 998 CB PHE B 5 -3.417 -6.514 -9.606 1.00 0.00 C ATOM 999 CG PHE B 5 -4.220 -7.347 -10.584 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.591 -6.812 -11.824 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -4.594 -8.654 -10.248 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.334 -7.581 -12.725 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.336 -9.424 -11.149 1.00 0.00 C ATOM 1004 CZ PHE B 5 -5.707 -8.889 -12.388 1.00 0.00 C ATOM 0 H PHE B 5 -1.870 -8.310 -8.865 1.00 0.00 H new ATOM 0 HA PHE B 5 -1.802 -6.228 -11.051 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -3.527 -6.916 -8.599 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.800 -5.494 -9.586 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -4.303 -5.804 -12.085 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -4.309 -9.068 -9.292 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.620 -7.167 -13.680 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -5.623 -10.432 -10.889 1.00 0.00 H new ATOM 0 HZ PHE B 5 -6.280 -9.484 -13.084 1.00 0.00 H new ATOM 1014 N ASN B 6 0.189 -5.536 -9.269 1.00 0.00 N ATOM 1015 CA ASN B 6 1.062 -4.570 -8.505 1.00 0.00 C ATOM 1016 C ASN B 6 0.846 -3.125 -8.986 1.00 0.00 C ATOM 1017 O ASN B 6 0.861 -2.195 -8.199 1.00 0.00 O ATOM 1018 CB ASN B 6 2.517 -5.033 -8.739 1.00 0.00 C ATOM 1019 CG ASN B 6 2.964 -4.745 -10.188 1.00 0.00 C ATOM 1020 OD1 ASN B 6 3.416 -3.657 -10.488 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.861 -5.672 -11.102 1.00 0.00 N ATOM 0 H ASN B 6 0.699 -6.211 -9.840 1.00 0.00 H new ATOM 0 HA ASN B 6 0.818 -4.570 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.181 -4.522 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.600 -6.100 -8.535 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.159 -5.480 -12.059 1.00 0.00 H new ATOM 0 HD22 ASN B 6 2.483 -6.588 -10.859 1.00 0.00 H new ATOM 1028 N LYS B 7 0.625 -2.953 -10.273 1.00 0.00 N ATOM 1029 CA LYS B 7 0.374 -1.588 -10.850 1.00 0.00 C ATOM 1030 C LYS B 7 -0.898 -0.993 -10.247 1.00 0.00 C ATOM 1031 O LYS B 7 -0.976 0.194 -9.984 1.00 0.00 O ATOM 1032 CB LYS B 7 0.201 -1.801 -12.358 1.00 0.00 C ATOM 1033 CG LYS B 7 1.546 -2.182 -12.992 1.00 0.00 C ATOM 1034 CD LYS B 7 1.369 -2.409 -14.499 1.00 0.00 C ATOM 1035 CE LYS B 7 1.283 -1.058 -15.225 1.00 0.00 C ATOM 1036 NZ LYS B 7 1.107 -1.392 -16.670 1.00 0.00 N ATOM 0 H LYS B 7 0.608 -3.711 -10.956 1.00 0.00 H new ATOM 0 HA LYS B 7 1.190 -0.898 -10.635 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -0.532 -2.587 -12.541 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.184 -0.892 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.276 -1.392 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.936 -3.085 -12.523 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.206 -2.989 -14.889 1.00 0.00 H new ATOM 0 HD3 LYS B 7 0.465 -2.989 -14.684 1.00 0.00 H new ATOM 0 HE2 LYS B 7 0.446 -0.466 -14.854 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.186 -0.469 -15.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.041 -0.514 -17.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.921 -1.949 -16.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.236 -1.946 -16.795 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.879 -1.831 -10.005 1.00 0.00 N ATOM 1051 CA GLU B 8 -3.154 -1.362 -9.385 1.00 0.00 C ATOM 1052 C GLU B 8 -2.928 -0.927 -7.943 1.00 0.00 C ATOM 1053 O GLU B 8 -3.548 0.000 -7.494 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.125 -2.545 -9.456 1.00 0.00 C ATOM 1055 CG GLU B 8 -5.056 -2.381 -10.663 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.259 -3.336 -10.552 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.055 -4.508 -10.267 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -7.369 -2.874 -10.753 1.00 0.00 O ATOM 0 H GLU B 8 -1.847 -2.829 -10.214 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.553 -0.495 -9.911 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.569 -3.479 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.711 -2.602 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.407 -1.351 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.507 -2.584 -11.583 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.018 -1.548 -7.228 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.745 -1.104 -5.819 1.00 0.00 C ATOM 1067 C LEU B 9 -0.922 0.177 -5.847 1.00 0.00 C ATOM 1068 O LEU B 9 -0.970 0.971 -4.929 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.947 -2.186 -5.104 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.471 -3.591 -5.405 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.458 -4.621 -4.867 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.841 -3.755 -4.720 1.00 0.00 C ATOM 0 H LEU B 9 -1.457 -2.335 -7.553 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.687 -0.928 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.099 -2.119 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.983 -2.010 -4.029 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.590 -3.747 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.818 -5.629 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.505 -4.473 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.344 -4.491 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.232 -4.752 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.728 -3.622 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.533 -3.008 -5.108 1.00 0.00 H new ATOM 1084 N SER B 10 -0.182 0.391 -6.911 1.00 0.00 N ATOM 1085 CA SER B 10 0.617 1.629 -7.035 1.00 0.00 C ATOM 1086 C SER B 10 -0.373 2.813 -7.104 1.00 0.00 C ATOM 1087 O SER B 10 -0.251 3.782 -6.371 1.00 0.00 O ATOM 1088 CB SER B 10 1.412 1.438 -8.349 1.00 0.00 C ATOM 1089 OG SER B 10 1.350 2.607 -9.161 1.00 0.00 O ATOM 0 H SER B 10 -0.104 -0.251 -7.699 1.00 0.00 H new ATOM 0 HA SER B 10 1.299 1.827 -6.208 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.452 1.207 -8.118 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.011 0.587 -8.900 1.00 0.00 H new ATOM 0 HG SER B 10 1.861 2.461 -9.984 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.377 2.701 -7.966 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.405 3.788 -8.113 1.00 0.00 C ATOM 1097 C VAL B 11 -3.488 3.663 -7.026 1.00 0.00 C ATOM 1098 O VAL B 11 -3.688 4.574 -6.248 1.00 0.00 O ATOM 1099 CB VAL B 11 -3.013 3.594 -9.521 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.886 4.799 -9.879 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.895 3.446 -10.569 1.00 0.00 C ATOM 0 H VAL B 11 -1.522 1.895 -8.574 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.965 4.779 -7.999 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.621 2.689 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.312 4.657 -10.872 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.690 4.895 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.278 5.704 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.337 3.310 -11.556 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.276 4.343 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.280 2.580 -10.325 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.178 2.539 -6.976 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.257 2.329 -5.946 1.00 0.00 C ATOM 1113 C ALA B 12 -4.700 2.408 -4.535 1.00 0.00 C ATOM 1114 O ALA B 12 -5.257 3.064 -3.683 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.808 0.918 -6.198 1.00 0.00 C ATOM 0 H ALA B 12 -4.038 1.753 -7.610 1.00 0.00 H new ATOM 0 HA ALA B 12 -6.024 3.099 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.599 0.703 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.211 0.860 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -5.006 0.189 -6.084 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.602 1.745 -4.300 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.976 1.731 -2.956 1.00 0.00 C ATOM 1123 C GLY B 13 -2.565 3.125 -2.533 1.00 0.00 C ATOM 1124 O GLY B 13 -3.017 3.611 -1.516 1.00 0.00 O ATOM 0 H GLY B 13 -3.103 1.200 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.676 1.318 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.103 1.078 -2.964 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.687 3.754 -3.283 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.208 5.114 -2.870 1.00 0.00 C ATOM 1130 C ARG B 14 -2.357 6.141 -2.789 1.00 0.00 C ATOM 1131 O ARG B 14 -2.370 6.956 -1.890 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.141 5.542 -3.882 1.00 0.00 C ATOM 1133 CG ARG B 14 1.093 6.056 -3.134 1.00 0.00 C ATOM 1134 CD ARG B 14 0.745 7.255 -2.260 1.00 0.00 C ATOM 1135 NE ARG B 14 1.908 7.380 -1.339 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.872 8.230 -1.587 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.998 7.803 -2.108 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.716 9.501 -1.307 1.00 0.00 N ATOM 0 H ARG B 14 -1.287 3.392 -4.149 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.790 5.071 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.131 4.700 -4.519 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.535 6.321 -4.535 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.505 5.259 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.866 6.336 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.609 8.157 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.183 7.093 -1.711 1.00 0.00 H new ATOM 0 HE ARG B 14 1.954 6.796 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.119 6.812 -2.318 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.752 8.462 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG B 14 1.842 9.829 -0.895 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.468 10.162 -1.501 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.334 6.102 -3.684 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.485 7.082 -3.582 1.00 0.00 C ATOM 1154 C GLU B 15 -5.264 6.806 -2.279 1.00 0.00 C ATOM 1155 O GLU B 15 -5.600 7.720 -1.551 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.361 6.856 -4.819 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.663 7.410 -6.076 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.383 8.913 -5.918 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.335 9.669 -5.776 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -3.223 9.284 -5.956 1.00 0.00 O ATOM 0 H GLU B 15 -3.385 5.448 -4.465 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.148 8.118 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.559 5.791 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.326 7.346 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.728 6.876 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.290 7.241 -6.952 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.470 5.535 -1.962 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.141 5.118 -0.674 1.00 0.00 C ATOM 1169 C ILE B 16 -5.251 5.561 0.525 1.00 0.00 C ATOM 1170 O ILE B 16 -5.748 5.840 1.603 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.274 3.569 -0.815 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.431 3.258 -1.779 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.561 2.895 0.523 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.334 1.824 -2.307 1.00 0.00 C ATOM 0 H ILE B 16 -5.194 4.754 -2.558 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.116 5.571 -0.493 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.327 3.183 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.383 3.397 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.412 3.959 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.646 1.818 0.377 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.748 3.104 1.218 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.495 3.280 0.932 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.164 1.630 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.391 1.695 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.378 1.125 -1.472 1.00 0.00 H new ATOM 1186 N VAL B 17 -3.946 5.659 0.313 1.00 0.00 N ATOM 1187 CA VAL B 17 -2.991 6.123 1.382 1.00 0.00 C ATOM 1188 C VAL B 17 -2.978 7.670 1.496 1.00 0.00 C ATOM 1189 O VAL B 17 -2.783 8.210 2.572 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.587 5.650 0.904 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.476 6.277 1.750 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.467 4.134 0.989 1.00 0.00 C ATOM 0 H VAL B 17 -3.499 5.431 -0.575 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.276 5.725 2.356 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.477 5.969 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.493 5.929 1.393 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.524 7.363 1.667 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.605 5.987 2.793 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.477 3.828 0.650 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.612 3.815 2.021 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.226 3.673 0.357 1.00 0.00 H new ATOM 1202 N THR B 18 -3.088 8.371 0.376 1.00 0.00 N ATOM 1203 CA THR B 18 -2.971 9.878 0.385 1.00 0.00 C ATOM 1204 C THR B 18 -4.270 10.654 0.616 1.00 0.00 C ATOM 1205 O THR B 18 -4.182 11.839 0.910 1.00 0.00 O ATOM 1206 CB THR B 18 -2.382 10.268 -0.985 1.00 0.00 C ATOM 1207 OG1 THR B 18 -3.219 9.785 -2.041 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.965 9.702 -1.116 1.00 0.00 C ATOM 0 H THR B 18 -3.254 7.962 -0.544 1.00 0.00 H new ATOM 0 HA THR B 18 -2.348 10.149 1.237 1.00 0.00 H new ATOM 0 HB THR B 18 -2.335 11.354 -1.059 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.835 10.040 -2.906 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.551 9.979 -2.085 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.336 10.108 -0.323 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.998 8.616 -1.033 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.461 10.077 0.495 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.678 10.942 0.738 1.00 0.00 C ATOM 1218 C LEU B 19 -6.678 11.437 2.213 1.00 0.00 C ATOM 1219 O LEU B 19 -6.345 10.692 3.119 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.914 10.136 0.351 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.098 8.922 1.242 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.492 9.007 1.822 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.952 7.645 0.415 1.00 0.00 C ATOM 0 H LEU B 19 -5.637 9.102 0.253 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.671 11.842 0.124 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.797 10.772 0.416 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.828 9.815 -0.687 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.349 8.900 2.033 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.668 8.150 2.472 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.591 9.927 2.399 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.223 9.006 1.014 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.085 6.777 1.060 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.707 7.632 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.960 7.614 -0.035 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.949 12.723 2.379 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.873 13.387 3.718 1.00 0.00 C ATOM 1237 C PRO B 20 -8.180 13.353 4.543 1.00 0.00 C ATOM 1238 O PRO B 20 -8.126 13.443 5.757 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.553 14.833 3.344 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.085 15.032 1.952 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.358 13.674 1.346 1.00 0.00 C ATOM 0 HA PRO B 20 -6.149 12.880 4.356 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.019 15.528 4.042 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.479 15.016 3.381 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -7.998 15.627 1.977 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -6.364 15.580 1.345 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.412 13.557 1.093 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.792 13.529 0.426 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.336 13.259 3.913 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.630 13.264 4.695 1.00 0.00 C ATOM 1251 C ASN B 21 -10.743 12.053 5.631 1.00 0.00 C ATOM 1252 O ASN B 21 -11.375 12.138 6.672 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.745 13.227 3.653 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.188 14.646 3.266 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.411 15.584 3.305 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.417 14.841 2.875 1.00 0.00 N ATOM 0 H ASN B 21 -9.442 13.180 2.902 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.686 14.146 5.332 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.400 12.696 2.766 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.596 12.672 4.046 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.724 15.775 2.604 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -14.071 14.059 2.841 1.00 0.00 H new ATOM 1263 N LEU B 22 -10.145 10.933 5.274 1.00 0.00 N ATOM 1264 CA LEU B 22 -10.228 9.726 6.150 1.00 0.00 C ATOM 1265 C LEU B 22 -9.020 9.665 7.103 1.00 0.00 C ATOM 1266 O LEU B 22 -8.024 10.347 6.902 1.00 0.00 O ATOM 1267 CB LEU B 22 -10.326 8.525 5.171 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.024 7.718 5.071 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -9.285 6.474 4.222 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -7.931 8.563 4.414 1.00 0.00 C ATOM 0 H LEU B 22 -9.607 10.810 4.416 1.00 0.00 H new ATOM 0 HA LEU B 22 -11.092 9.732 6.815 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -11.131 7.865 5.495 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -10.595 8.893 4.181 1.00 0.00 H new ATOM 0 HG LEU B 22 -8.694 7.431 6.069 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -8.368 5.890 4.141 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -10.061 5.869 4.692 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.612 6.775 3.227 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -7.012 7.981 4.348 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.249 8.854 3.413 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.753 9.456 5.012 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.109 8.862 8.140 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.968 8.759 9.121 1.00 0.00 C ATOM 1284 C ASN B 23 -7.152 7.464 8.908 1.00 0.00 C ATOM 1285 O ASN B 23 -7.500 6.626 8.091 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.586 8.870 10.540 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.599 7.749 10.844 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.061 7.060 9.964 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.973 7.548 12.078 1.00 0.00 N ATOM 0 H ASN B 23 -9.916 8.275 8.352 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.246 9.563 8.976 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -7.788 8.842 11.281 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.080 9.836 10.641 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.649 6.815 12.293 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.589 8.124 12.827 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.029 7.341 9.603 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.108 6.154 9.431 1.00 0.00 C ATOM 1298 C ASP B 24 -5.792 4.756 9.500 1.00 0.00 C ATOM 1299 O ASP B 24 -5.409 3.904 8.719 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.967 6.304 10.470 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.481 6.245 11.915 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.954 7.261 12.400 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.375 5.187 12.514 1.00 0.00 O ATOM 0 H ASP B 24 -5.710 8.023 10.291 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.724 6.173 8.411 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.232 5.514 10.316 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.454 7.252 10.308 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.765 4.521 10.389 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.412 3.169 10.439 1.00 0.00 C ATOM 1310 C PRO B 25 -8.187 2.857 9.138 1.00 0.00 C ATOM 1311 O PRO B 25 -8.295 1.704 8.751 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.351 3.254 11.638 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.628 4.709 11.795 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.364 5.419 11.397 1.00 0.00 C ATOM 0 HA PRO B 25 -6.682 2.365 10.533 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.269 2.692 11.464 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.889 2.839 12.534 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.463 5.017 11.165 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.900 4.945 12.824 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.572 6.405 10.982 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.700 5.565 12.249 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.718 3.868 8.459 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.477 3.613 7.188 1.00 0.00 C ATOM 1324 C GLN B 26 -8.503 3.236 6.065 1.00 0.00 C ATOM 1325 O GLN B 26 -8.649 2.187 5.462 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.223 4.920 6.861 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.199 5.286 7.991 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.375 4.301 8.081 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.472 3.345 7.334 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.293 4.511 8.984 1.00 0.00 N ATOM 0 H GLN B 26 -8.655 4.848 8.735 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.179 2.786 7.293 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.506 5.728 6.718 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.769 4.808 5.924 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.664 5.299 8.941 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.582 6.293 7.827 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.217 5.311 9.613 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.087 3.875 9.061 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.505 4.074 5.786 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.507 3.749 4.696 1.00 0.00 C ATOM 1341 C LYS B 27 -5.895 2.363 4.911 1.00 0.00 C ATOM 1342 O LYS B 27 -5.754 1.606 3.964 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.407 4.838 4.677 1.00 0.00 C ATOM 1344 CG LYS B 27 -4.941 5.276 6.080 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.304 6.674 5.990 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.396 7.743 5.814 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.982 8.894 6.673 1.00 0.00 N ATOM 0 H LYS B 27 -7.344 4.960 6.265 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.019 3.735 3.734 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.548 4.464 4.119 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.781 5.710 4.140 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.786 5.292 6.768 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.221 4.560 6.477 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.727 6.878 6.892 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.609 6.712 5.151 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.483 8.045 4.770 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.371 7.360 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.766 9.573 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.736 8.548 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.156 9.363 6.250 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.564 2.010 6.139 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.000 0.639 6.400 1.00 0.00 C ATOM 1363 C LYS B 28 -6.037 -0.433 5.998 1.00 0.00 C ATOM 1364 O LYS B 28 -5.695 -1.457 5.436 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.785 0.503 7.927 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.653 1.401 8.406 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.587 0.589 9.150 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.863 -0.339 8.171 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.537 -0.638 8.797 1.00 0.00 N ATOM 0 H LYS B 28 -5.659 2.605 6.962 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.076 0.508 5.837 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.705 0.762 8.451 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.559 -0.534 8.174 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.200 1.908 7.554 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.051 2.175 9.063 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.872 1.260 9.625 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.051 0.004 9.944 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.432 -1.254 8.006 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.738 0.139 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.215 -0.154 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.535 -0.304 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.368 -1.664 8.779 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.304 -0.195 6.331 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.402 -1.179 6.036 1.00 0.00 C ATOM 1385 C ALA B 29 -8.509 -1.508 4.540 1.00 0.00 C ATOM 1386 O ALA B 29 -8.535 -2.677 4.185 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.697 -0.518 6.528 1.00 0.00 C ATOM 0 H ALA B 29 -7.617 0.654 6.801 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.202 -2.128 6.534 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.539 -1.185 6.342 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.621 -0.319 7.597 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.852 0.420 5.995 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.560 -0.520 3.654 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.655 -0.881 2.192 1.00 0.00 C ATOM 1395 C PHE B 30 -7.282 -1.289 1.649 1.00 0.00 C ATOM 1396 O PHE B 30 -7.218 -2.162 0.825 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.216 0.267 1.311 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.743 1.463 2.050 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.859 2.447 2.451 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.116 1.625 2.253 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.336 3.604 3.058 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.595 2.772 2.873 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.707 3.767 3.272 1.00 0.00 C ATOM 0 H PHE B 30 -8.541 0.477 3.870 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.355 -1.715 2.137 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.427 0.600 0.636 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.017 -0.135 0.691 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.798 2.318 2.293 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.804 0.859 1.928 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.646 4.377 3.364 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.654 2.892 3.045 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.077 4.664 3.746 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.179 -0.684 2.076 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.845 -1.120 1.514 1.00 0.00 C ATOM 1415 C ILE B 31 -4.609 -2.612 1.801 1.00 0.00 C ATOM 1416 O ILE B 31 -4.213 -3.357 0.924 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.747 -0.267 2.167 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.681 1.083 1.412 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.378 -1.005 2.076 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.248 1.458 1.093 1.00 0.00 C ATOM 0 H ILE B 31 -6.146 0.067 2.766 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.829 -0.981 0.433 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.971 -0.097 3.220 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.257 1.016 0.489 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.139 1.865 2.018 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.604 -0.394 2.541 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.445 -1.962 2.594 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.126 -1.176 1.029 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.230 2.410 0.563 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.681 1.548 2.019 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.801 0.686 0.467 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.841 -3.037 3.024 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.625 -4.475 3.383 1.00 0.00 C ATOM 1434 C PHE B 32 -5.556 -5.376 2.536 1.00 0.00 C ATOM 1435 O PHE B 32 -5.128 -6.406 2.043 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.886 -4.560 4.903 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.614 -4.165 5.663 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.985 -2.888 5.464 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.014 -5.095 6.559 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.821 -2.592 6.146 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.838 -4.760 7.210 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.253 -3.522 7.007 1.00 0.00 C ATOM 0 H PHE B 32 -5.171 -2.448 3.788 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.618 -4.831 3.166 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.708 -3.899 5.179 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.186 -5.572 5.175 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.419 -2.167 4.787 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.474 -6.057 6.730 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.349 -1.630 6.009 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.375 -5.469 7.880 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.339 -3.275 7.527 1.00 0.00 H new ATOM 1452 N SER B 33 -6.801 -4.962 2.301 1.00 0.00 N ATOM 1453 CA SER B 33 -7.718 -5.770 1.409 1.00 0.00 C ATOM 1454 C SER B 33 -7.292 -5.593 -0.075 1.00 0.00 C ATOM 1455 O SER B 33 -7.383 -6.515 -0.859 1.00 0.00 O ATOM 1456 CB SER B 33 -9.144 -5.246 1.659 1.00 0.00 C ATOM 1457 OG SER B 33 -9.278 -3.922 1.165 1.00 0.00 O ATOM 0 H SER B 33 -7.212 -4.111 2.685 1.00 0.00 H new ATOM 0 HA SER B 33 -7.668 -6.837 1.628 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.869 -5.898 1.171 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.364 -5.267 2.726 1.00 0.00 H new ATOM 0 HG SER B 33 -8.412 -3.466 1.212 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.779 -4.417 -0.433 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.271 -4.145 -1.833 1.00 0.00 C ATOM 1465 C LEU B 34 -5.095 -5.087 -2.115 1.00 0.00 C ATOM 1466 O LEU B 34 -4.975 -5.632 -3.198 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.821 -2.657 -1.811 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.031 -2.265 -3.060 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.982 -1.981 -4.229 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.203 -1.002 -2.770 1.00 0.00 C ATOM 0 H LEU B 34 -6.692 -3.623 0.202 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.015 -4.313 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.699 -2.017 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.209 -2.479 -0.927 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.372 -3.091 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.403 -1.703 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.568 -2.874 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.652 -1.163 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.640 -0.723 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.870 -0.186 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.511 -1.200 -1.951 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.251 -5.291 -1.125 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.094 -6.210 -1.283 1.00 0.00 C ATOM 1484 C TRP B 35 -3.563 -7.669 -1.467 1.00 0.00 C ATOM 1485 O TRP B 35 -3.093 -8.368 -2.346 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.297 -6.103 0.014 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.085 -6.926 -0.173 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.868 -8.128 0.386 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.042 -6.662 -1.035 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.338 -8.607 -0.059 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.943 -7.732 -0.927 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.371 -5.595 -1.876 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.129 -7.747 -1.632 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.566 -5.605 -2.589 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.441 -6.673 -2.467 1.00 0.00 C ATOM 0 H TRP B 35 -4.324 -4.850 -0.208 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.507 -5.941 -2.161 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.034 -5.066 0.224 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.883 -6.461 0.861 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.532 -8.633 1.072 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.736 -9.503 0.221 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.306 -4.759 -1.973 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.809 -8.581 -1.539 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.812 -4.778 -3.239 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.368 -6.674 -3.021 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.473 -8.119 -0.621 1.00 0.00 N ATOM 1507 CA ASP B 36 -4.973 -9.529 -0.700 1.00 0.00 C ATOM 1508 C ASP B 36 -5.817 -9.730 -1.959 1.00 0.00 C ATOM 1509 O ASP B 36 -5.690 -10.739 -2.631 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.824 -9.732 0.564 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.975 -11.230 0.851 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.127 -11.767 1.546 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -6.934 -11.812 0.372 1.00 0.00 O ATOM 0 H ASP B 36 -4.890 -7.561 0.124 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.155 -10.247 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.355 -9.235 1.413 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.805 -9.277 0.430 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.675 -8.779 -2.280 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.529 -8.920 -3.490 1.00 0.00 C ATOM 1520 C ASP B 37 -7.527 -7.622 -4.319 1.00 0.00 C ATOM 1521 O ASP B 37 -8.469 -6.844 -4.251 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.961 -9.254 -2.997 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.935 -10.313 -1.881 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.752 -11.476 -2.194 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.099 -9.934 -0.731 1.00 0.00 O ATOM 0 H ASP B 37 -6.812 -7.918 -1.751 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.149 -9.709 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.442 -8.347 -2.630 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.560 -9.617 -3.832 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.483 -7.436 -5.123 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.412 -6.240 -6.012 1.00 0.00 C ATOM 1532 C PRO B 38 -7.484 -6.296 -7.126 1.00 0.00 C ATOM 1533 O PRO B 38 -7.632 -5.347 -7.869 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.012 -6.287 -6.592 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.620 -7.728 -6.510 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.287 -8.283 -5.278 1.00 0.00 C ATOM 0 HA PRO B 38 -6.607 -5.314 -5.472 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.997 -5.930 -7.622 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.327 -5.656 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.940 -8.268 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.537 -7.832 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.552 -9.333 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.635 -8.221 -4.406 1.00 0.00 H new ATOM 1544 N SER B 39 -8.265 -7.370 -7.226 1.00 0.00 N ATOM 1545 CA SER B 39 -9.365 -7.421 -8.252 1.00 0.00 C ATOM 1546 C SER B 39 -10.337 -6.262 -7.958 1.00 0.00 C ATOM 1547 O SER B 39 -10.847 -5.618 -8.857 1.00 0.00 O ATOM 1548 CB SER B 39 -10.061 -8.769 -8.047 1.00 0.00 C ATOM 1549 OG SER B 39 -10.475 -9.285 -9.306 1.00 0.00 O ATOM 0 H SER B 39 -8.182 -8.202 -6.642 1.00 0.00 H new ATOM 0 HA SER B 39 -9.004 -7.325 -9.276 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.383 -9.470 -7.560 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.922 -8.649 -7.390 1.00 0.00 H new ATOM 0 HG SER B 39 -10.919 -10.149 -9.175 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.539 -5.974 -6.678 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.417 -4.828 -6.256 1.00 0.00 C ATOM 1557 C GLN B 40 -10.575 -3.531 -6.124 1.00 0.00 C ATOM 1558 O GLN B 40 -11.026 -2.584 -5.528 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.983 -5.180 -4.854 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.392 -6.657 -4.722 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.334 -7.084 -5.859 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.234 -6.357 -6.235 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.167 -8.252 -6.415 1.00 0.00 N ATOM 0 H GLN B 40 -10.125 -6.495 -5.905 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.207 -4.669 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.234 -4.948 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.849 -4.550 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.501 -7.285 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.883 -6.815 -3.762 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.413 -8.863 -6.101 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.790 -8.554 -7.164 1.00 0.00 H new ATOM 1572 N SER B 41 -9.354 -3.497 -6.651 1.00 0.00 N ATOM 1573 CA SER B 41 -8.465 -2.277 -6.531 1.00 0.00 C ATOM 1574 C SER B 41 -9.174 -1.002 -7.018 1.00 0.00 C ATOM 1575 O SER B 41 -9.104 0.026 -6.368 1.00 0.00 O ATOM 1576 CB SER B 41 -7.273 -2.596 -7.415 1.00 0.00 C ATOM 1577 OG SER B 41 -6.420 -1.469 -7.523 1.00 0.00 O ATOM 0 H SER B 41 -8.935 -4.273 -7.164 1.00 0.00 H new ATOM 0 HA SER B 41 -8.187 -2.079 -5.496 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.721 -3.439 -7.001 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.617 -2.896 -8.405 1.00 0.00 H new ATOM 0 HG SER B 41 -6.322 -1.222 -8.466 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.882 -1.076 -8.137 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.637 0.123 -8.644 1.00 0.00 C ATOM 1585 C ALA B 42 -11.688 0.513 -7.597 1.00 0.00 C ATOM 1586 O ALA B 42 -11.800 1.663 -7.205 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.331 -0.348 -9.925 1.00 0.00 C ATOM 0 H ALA B 42 -9.966 -1.913 -8.714 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.993 0.983 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.903 0.475 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.582 -0.681 -10.643 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.003 -1.174 -9.692 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.425 -0.473 -7.121 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.455 -0.254 -6.068 1.00 0.00 C ATOM 1595 C ASN B 43 -12.798 0.166 -4.736 1.00 0.00 C ATOM 1596 O ASN B 43 -13.402 0.871 -3.958 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.166 -1.606 -5.924 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.157 -1.801 -7.078 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.190 -1.161 -7.120 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -14.885 -2.661 -8.024 1.00 0.00 N ATOM 0 H ASN B 43 -12.346 -1.441 -7.433 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.147 0.546 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.434 -2.413 -5.922 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -14.692 -1.650 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -15.539 -2.794 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.019 -3.199 -7.991 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.565 -0.264 -4.474 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.859 0.109 -3.197 1.00 0.00 C ATOM 1609 C LEU B 44 -10.493 1.586 -3.206 1.00 0.00 C ATOM 1610 O LEU B 44 -10.779 2.310 -2.276 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.609 -0.768 -3.181 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.915 -2.023 -2.382 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.207 -3.227 -3.005 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.438 -1.795 -0.951 1.00 0.00 C ATOM 0 H LEU B 44 -11.023 -0.860 -5.099 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.478 -0.047 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.315 -1.028 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.773 -0.229 -2.735 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.985 -2.229 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.433 -4.122 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.553 -3.362 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.130 -3.056 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.645 -2.682 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.366 -1.600 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -9.962 -0.939 -0.525 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.900 2.020 -4.281 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.540 3.463 -4.458 1.00 0.00 C ATOM 1628 C LEU B 45 -10.817 4.303 -4.304 1.00 0.00 C ATOM 1629 O LEU B 45 -10.834 5.299 -3.603 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.969 3.548 -5.889 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.771 5.003 -6.342 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.237 5.860 -5.192 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.770 5.029 -7.499 1.00 0.00 C ATOM 0 H LEU B 45 -9.641 1.423 -5.067 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.819 3.834 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.015 3.022 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.643 3.041 -6.580 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.731 5.409 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.104 6.886 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.947 5.842 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.279 5.463 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.622 6.057 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.819 4.614 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.156 4.434 -8.327 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.898 3.858 -4.915 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.204 4.570 -4.775 1.00 0.00 C ATOM 1647 C ALA B 46 -13.677 4.461 -3.316 1.00 0.00 C ATOM 1648 O ALA B 46 -14.124 5.429 -2.738 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.158 3.819 -5.694 1.00 0.00 C ATOM 0 H ALA B 46 -11.925 3.027 -5.506 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.143 5.628 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.145 4.280 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.784 3.859 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.229 2.779 -5.374 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.539 3.279 -2.722 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.927 3.062 -1.288 1.00 0.00 C ATOM 1657 C GLU B 47 -13.145 4.038 -0.398 1.00 0.00 C ATOM 1658 O GLU B 47 -13.668 4.552 0.557 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.519 1.612 -0.970 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.095 1.181 0.391 1.00 0.00 C ATOM 1661 CD GLU B 47 -13.603 -0.232 0.794 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -12.717 -0.777 0.140 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.125 -0.747 1.768 1.00 0.00 O ATOM 0 H GLU B 47 -13.167 2.450 -3.186 1.00 0.00 H new ATOM 0 HA GLU B 47 -14.990 3.228 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.880 0.945 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.432 1.528 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.803 1.901 1.155 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.184 1.189 0.345 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.900 4.307 -0.747 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.049 5.273 0.024 1.00 0.00 C ATOM 1672 C ALA B 48 -11.671 6.673 -0.070 1.00 0.00 C ATOM 1673 O ALA B 48 -11.857 7.339 0.931 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.666 5.239 -0.664 1.00 0.00 C ATOM 0 H ALA B 48 -11.433 3.887 -1.551 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.969 5.018 1.081 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.989 5.923 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.262 4.228 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.770 5.542 -1.706 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.027 7.093 -1.271 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.678 8.436 -1.470 1.00 0.00 C ATOM 1682 C LYS B 49 -14.049 8.459 -0.764 1.00 0.00 C ATOM 1683 O LYS B 49 -14.362 9.386 -0.045 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.855 8.590 -2.992 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.483 8.614 -3.683 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.667 8.766 -5.195 1.00 0.00 C ATOM 1687 CE LYS B 49 -10.333 8.489 -5.905 1.00 0.00 C ATOM 1688 NZ LYS B 49 -10.497 9.025 -7.289 1.00 0.00 N ATOM 0 H LYS B 49 -11.892 6.556 -2.128 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.081 9.248 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.453 7.766 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.398 9.509 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.885 9.439 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.939 7.695 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.431 8.074 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.014 9.772 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.506 8.978 -5.390 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.112 7.422 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.622 8.868 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.285 8.536 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.698 10.044 -7.245 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.847 7.423 -0.957 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.200 7.334 -0.297 1.00 0.00 C ATOM 1704 C LYS B 50 -16.053 7.255 1.233 1.00 0.00 C ATOM 1705 O LYS B 50 -16.825 7.857 1.957 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.837 6.052 -0.847 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.233 6.262 -2.317 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.268 4.912 -3.050 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.416 4.039 -2.514 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.756 2.883 -1.829 1.00 0.00 N ATOM 0 H LYS B 50 -14.614 6.627 -1.551 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.812 8.212 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.136 5.221 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.715 5.788 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.210 6.741 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.521 6.930 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.396 5.075 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.318 4.395 -2.918 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.044 4.599 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.061 3.699 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.483 2.240 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.158 2.372 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.168 3.233 -1.046 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.053 6.536 1.722 1.00 0.00 N ATOM 1725 CA LEU B 51 -14.828 6.437 3.205 1.00 0.00 C ATOM 1726 C LEU B 51 -14.465 7.832 3.736 1.00 0.00 C ATOM 1727 O LEU B 51 -15.006 8.282 4.735 1.00 0.00 O ATOM 1728 CB LEU B 51 -13.657 5.437 3.386 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.624 4.808 4.806 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -14.279 5.711 5.864 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -14.360 3.458 4.773 1.00 0.00 C ATOM 0 H LEU B 51 -14.386 6.015 1.152 1.00 0.00 H new ATOM 0 HA LEU B 51 -15.706 6.094 3.752 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -13.743 4.644 2.643 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -12.714 5.950 3.197 1.00 0.00 H new ATOM 0 HG LEU B 51 -12.578 4.679 5.085 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -14.229 5.225 6.838 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -13.751 6.664 5.906 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -15.322 5.886 5.598 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -14.342 3.009 5.766 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -15.394 3.615 4.465 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -13.867 2.792 4.065 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.597 8.542 3.035 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.238 9.935 3.447 1.00 0.00 C ATOM 1745 C ASN B 52 -14.499 10.809 3.387 1.00 0.00 C ATOM 1746 O ASN B 52 -14.687 11.677 4.212 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.124 10.378 2.449 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.581 11.354 1.322 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.410 12.223 1.497 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.007 11.287 0.161 1.00 0.00 N ATOM 0 H ASN B 52 -13.125 8.209 2.194 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.867 10.018 4.468 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.322 10.853 3.014 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.701 9.487 1.985 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.257 11.952 -0.571 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.306 10.569 -0.020 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.355 10.568 2.401 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.606 11.366 2.249 1.00 0.00 C ATOM 1759 C ASP B 53 -17.559 11.122 3.435 1.00 0.00 C ATOM 1760 O ASP B 53 -18.271 12.019 3.853 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.257 10.888 0.935 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.178 11.970 0.322 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.276 13.069 0.863 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -18.772 11.678 -0.703 1.00 0.00 O ATOM 0 H ASP B 53 -15.226 9.842 1.696 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.391 12.434 2.228 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.479 10.625 0.219 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.835 9.983 1.124 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.576 9.908 3.971 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.480 9.587 5.128 1.00 0.00 C ATOM 1771 C ALA B 54 -18.048 10.351 6.393 1.00 0.00 C ATOM 1772 O ALA B 54 -18.878 10.834 7.142 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.333 8.075 5.330 1.00 0.00 C ATOM 0 H ALA B 54 -16.999 9.130 3.651 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.512 9.879 4.934 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.963 7.756 6.160 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.639 7.555 4.422 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.293 7.837 5.552 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.755 10.466 6.618 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.232 11.204 7.818 1.00 0.00 C ATOM 1781 C GLN B 55 -16.184 12.718 7.543 1.00 0.00 C ATOM 1782 O GLN B 55 -16.421 13.522 8.429 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.826 10.631 8.029 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.935 9.184 8.537 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.595 8.465 8.366 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.953 8.568 7.236 1.00 0.00 O flip ATOM 1787 NE2 GLN B 55 -13.127 7.805 9.270 1.00 0.00 N flip ATOM 0 H GLN B 55 -16.033 10.075 6.013 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.862 11.080 8.699 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.266 10.659 7.094 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.277 11.240 8.747 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.227 9.180 9.587 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.713 8.655 7.987 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.628 7.724 10.155 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.232 7.331 9.145 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.871 13.101 6.319 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.789 14.548 5.944 1.00 0.00 C ATOM 1798 C ALA B 56 -16.335 14.753 4.518 1.00 0.00 C ATOM 1799 O ALA B 56 -16.115 13.921 3.664 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.293 14.850 5.990 1.00 0.00 C ATOM 0 H ALA B 56 -15.667 12.456 5.556 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.370 15.195 6.601 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.124 15.895 5.728 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.915 14.662 6.995 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.770 14.209 5.280 1.00 0.00 H new ATOM 1806 N PRO B 57 -17.025 15.857 4.288 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.589 16.133 2.931 1.00 0.00 C ATOM 1808 C PRO B 57 -16.466 16.388 1.908 1.00 0.00 C ATOM 1809 O PRO B 57 -15.460 17.008 2.217 1.00 0.00 O ATOM 1810 CB PRO B 57 -18.440 17.383 3.141 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.844 18.045 4.337 1.00 0.00 C ATOM 1812 CD PRO B 57 -17.341 16.942 5.230 1.00 0.00 C ATOM 0 HA PRO B 57 -18.163 15.296 2.533 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -18.408 18.036 2.269 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -19.486 17.127 3.309 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -17.031 18.711 4.047 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -18.586 18.654 4.853 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -16.462 17.252 5.795 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -18.095 16.637 5.956 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.645 15.916 0.691 1.00 0.00 N ATOM 1821 CA LYS B 58 -15.604 16.124 -0.379 1.00 0.00 C ATOM 1822 C LYS B 58 -15.613 17.587 -0.864 1.00 0.00 C ATOM 1823 O LYS B 58 -14.554 18.189 -0.869 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.976 15.171 -1.530 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.564 13.734 -1.185 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.883 12.816 -2.373 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.450 11.377 -2.053 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.564 10.501 -2.531 1.00 0.00 N ATOM 1829 OXT LYS B 58 -16.676 18.081 -1.218 1.00 0.00 O ATOM 0 H LYS B 58 -17.469 15.394 0.391 1.00 0.00 H new ATOM 0 HA LYS B 58 -14.602 15.919 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -17.049 15.214 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -15.481 15.488 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.499 13.694 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -16.095 13.395 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.951 12.844 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -15.368 13.170 -3.266 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.515 11.129 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.282 11.248 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -16.322 9.505 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.437 10.740 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.709 10.649 -3.550 1.00 0.00 H new TER 1843 LYS B 58