USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 838 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 47 ASN : amide:sc=-0.00879 K(o=0.82,f=0.15) USER MOD Set 1.2: B 51 ASN : amide:sc= 0.828 K(o=0.82,f=0) USER MOD Set 2.1: B 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 42 SER OG : rot 180:sc= 0.0246 USER MOD Set 3.1: A 47 ASN : amide:sc= 0 X(o=0.85,f=0.76) USER MOD Set 3.2: A 51 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Set 4.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 42 SER OG : rot 180:sc= 0.0244 USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -138:sc= 0.184 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0698 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00459) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0126) USER MOD Single : A 15 THR OG1 : rot 30:sc= 1.19 USER MOD Single : A 23 SER OG : rot 78:sc= 1.04 USER MOD Single : A 29 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0.129 (180deg=0.128) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -32:sc= 0.00648 USER MOD Single : A 44 TYR OH : rot 13:sc= 1.25 USER MOD Single : B 1 SER N :NH3+ -134:sc= 0.169 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0.101 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 175:sc=-0.000596 (180deg=-0.0382) USER MOD Single : B 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00654) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 42:sc= 1.4 USER MOD Single : B 23 SER OG : rot 90:sc= 1.27 USER MOD Single : B 29 THR OG1 : rot 83:sc= 1.26 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.023) USER MOD Single : B 37 SER OG : rot -33:sc= 0.118 USER MOD Single : B 44 TYR OH : rot 13:sc= 0.726 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 42.690 9.736 7.490 1.00 0.00 N ATOM 2 CA SER A 1 43.286 8.576 6.813 1.00 0.00 C ATOM 3 C SER A 1 42.115 7.934 6.108 1.00 0.00 C ATOM 4 O SER A 1 41.900 8.282 4.953 1.00 0.00 O ATOM 5 CB SER A 1 44.056 7.665 7.784 1.00 0.00 C ATOM 6 OG SER A 1 43.449 7.664 9.065 1.00 0.00 O ATOM 0 H1 SER A 1 43.319 10.558 7.389 1.00 0.00 H new ATOM 0 H2 SER A 1 41.767 9.951 7.062 1.00 0.00 H new ATOM 0 H3 SER A 1 42.562 9.521 8.499 1.00 0.00 H new ATOM 0 HA SER A 1 44.065 8.837 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 1 44.085 6.649 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 1 45.088 8.005 7.867 1.00 0.00 H new ATOM 0 HG SER A 1 43.954 7.077 9.666 1.00 0.00 H new ATOM 12 N ASP A 2 41.404 7.019 6.768 1.00 0.00 N ATOM 13 CA ASP A 2 40.215 6.423 6.176 1.00 0.00 C ATOM 14 C ASP A 2 39.128 7.508 6.255 1.00 0.00 C ATOM 15 O ASP A 2 39.274 8.482 7.009 1.00 0.00 O ATOM 16 CB ASP A 2 39.783 5.168 6.951 1.00 0.00 C ATOM 17 CG ASP A 2 38.408 4.691 6.472 1.00 0.00 C ATOM 18 OD1 ASP A 2 38.272 4.510 5.242 1.00 0.00 O ATOM 19 OD2 ASP A 2 37.484 4.630 7.310 1.00 0.00 O ATOM 0 H ASP A 2 41.631 6.680 7.703 1.00 0.00 H new ATOM 0 HA ASP A 2 40.398 6.105 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 2 40.519 4.376 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 2 39.748 5.386 8.018 1.00 0.00 H new ATOM 24 N SER A 3 38.087 7.367 5.445 1.00 0.00 N ATOM 25 CA SER A 3 36.942 8.241 5.352 1.00 0.00 C ATOM 26 C SER A 3 35.769 7.295 5.106 1.00 0.00 C ATOM 27 O SER A 3 35.463 6.994 3.956 1.00 0.00 O ATOM 28 CB SER A 3 37.137 9.256 4.215 1.00 0.00 C ATOM 29 OG SER A 3 38.228 10.125 4.463 1.00 0.00 O ATOM 0 H SER A 3 38.023 6.584 4.795 1.00 0.00 H new ATOM 0 HA SER A 3 36.780 8.844 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 37.302 8.724 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.227 9.843 4.092 1.00 0.00 H new ATOM 0 HG SER A 3 38.321 10.754 3.718 1.00 0.00 H new ATOM 35 N ALA A 4 35.081 6.882 6.176 1.00 0.00 N ATOM 36 CA ALA A 4 33.940 5.959 6.175 1.00 0.00 C ATOM 37 C ALA A 4 32.766 6.319 5.242 1.00 0.00 C ATOM 38 O ALA A 4 31.798 5.544 5.151 1.00 0.00 O ATOM 39 CB ALA A 4 33.448 5.791 7.618 1.00 0.00 C ATOM 0 H ALA A 4 35.317 7.199 7.116 1.00 0.00 H new ATOM 0 HA ALA A 4 34.318 5.026 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 4 32.599 5.107 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 4 34.253 5.386 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 4 33.142 6.760 8.013 1.00 0.00 H new ATOM 45 N VAL A 5 32.777 7.511 4.639 1.00 0.00 N ATOM 46 CA VAL A 5 31.770 7.988 3.707 1.00 0.00 C ATOM 47 C VAL A 5 31.802 7.038 2.503 1.00 0.00 C ATOM 48 O VAL A 5 32.865 6.588 2.075 1.00 0.00 O ATOM 49 CB VAL A 5 32.050 9.464 3.343 1.00 0.00 C ATOM 50 CG1 VAL A 5 33.401 9.702 2.647 1.00 0.00 C ATOM 51 CG2 VAL A 5 30.937 10.052 2.468 1.00 0.00 C ATOM 0 H VAL A 5 33.520 8.192 4.798 1.00 0.00 H new ATOM 0 HA VAL A 5 30.766 7.980 4.132 1.00 0.00 H new ATOM 0 HB VAL A 5 32.085 9.973 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 5 33.515 10.764 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.210 9.378 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.437 9.134 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.169 11.091 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.860 9.479 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.989 10.005 3.004 1.00 0.00 H new ATOM 61 N ARG A 6 30.648 6.709 1.927 1.00 0.00 N ATOM 62 CA ARG A 6 30.599 5.802 0.785 1.00 0.00 C ATOM 63 C ARG A 6 29.509 6.211 -0.186 1.00 0.00 C ATOM 64 O ARG A 6 28.650 7.041 0.133 1.00 0.00 O ATOM 65 CB ARG A 6 30.417 4.366 1.313 1.00 0.00 C ATOM 66 CG ARG A 6 29.001 4.091 1.857 1.00 0.00 C ATOM 67 CD ARG A 6 28.984 3.261 3.141 1.00 0.00 C ATOM 68 NE ARG A 6 29.598 1.933 2.990 1.00 0.00 N ATOM 69 CZ ARG A 6 28.965 0.755 3.023 1.00 0.00 C ATOM 70 NH1 ARG A 6 27.640 0.683 2.924 1.00 0.00 N ATOM 71 NH2 ARG A 6 29.682 -0.355 3.162 1.00 0.00 N ATOM 0 H ARG A 6 29.738 7.056 2.231 1.00 0.00 H new ATOM 0 HA ARG A 6 31.531 5.849 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 6 30.634 3.661 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 6 31.144 4.182 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 6 28.502 5.042 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 6 28.422 3.572 1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 6 29.508 3.808 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 6 27.953 3.140 3.472 1.00 0.00 H new ATOM 0 HE ARG A 6 30.607 1.908 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 6 27.089 1.535 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 6 27.175 -0.224 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 6 30.697 -0.300 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 6 29.217 -1.262 3.189 1.00 0.00 H new ATOM 85 N LYS A 7 29.583 5.672 -1.401 1.00 0.00 N ATOM 86 CA LYS A 7 28.591 5.939 -2.432 1.00 0.00 C ATOM 87 C LYS A 7 27.457 4.928 -2.259 1.00 0.00 C ATOM 88 O LYS A 7 27.458 4.092 -1.347 1.00 0.00 O ATOM 89 CB LYS A 7 29.211 5.881 -3.843 1.00 0.00 C ATOM 90 CG LYS A 7 30.091 7.101 -4.178 1.00 0.00 C ATOM 91 CD LYS A 7 31.595 6.790 -4.226 1.00 0.00 C ATOM 92 CE LYS A 7 31.989 5.824 -5.359 1.00 0.00 C ATOM 93 NZ LYS A 7 31.757 6.381 -6.711 1.00 0.00 N ATOM 0 H LYS A 7 30.329 5.042 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 7 28.199 6.950 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 7 29.811 4.975 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 7 28.411 5.806 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 7 29.783 7.505 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 7 29.914 7.879 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 7 32.147 7.722 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 7 31.899 6.361 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 7 33.043 5.565 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 7 31.422 4.899 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 32.073 5.697 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 30.743 6.572 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 32.292 7.266 -6.818 1.00 0.00 H new ATOM 107 N LYS A 8 26.449 5.051 -3.104 1.00 0.00 N ATOM 108 CA LYS A 8 25.268 4.213 -3.180 1.00 0.00 C ATOM 109 C LYS A 8 24.809 4.282 -4.626 1.00 0.00 C ATOM 110 O LYS A 8 25.427 4.954 -5.456 1.00 0.00 O ATOM 111 CB LYS A 8 24.178 4.693 -2.203 1.00 0.00 C ATOM 112 CG LYS A 8 23.659 6.113 -2.464 1.00 0.00 C ATOM 113 CD LYS A 8 22.621 6.505 -1.405 1.00 0.00 C ATOM 114 CE LYS A 8 22.522 8.028 -1.307 1.00 0.00 C ATOM 115 NZ LYS A 8 21.775 8.455 -0.107 1.00 0.00 N ATOM 0 H LYS A 8 26.434 5.792 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 8 25.483 3.185 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.338 4.000 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.574 4.647 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.489 6.819 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 8 23.213 6.167 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.649 6.085 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.901 6.088 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.524 8.456 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.031 8.418 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.730 9.494 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.810 8.068 -0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.257 8.105 0.745 1.00 0.00 H new ATOM 129 N SER A 9 23.718 3.601 -4.927 1.00 0.00 N ATOM 130 CA SER A 9 23.129 3.579 -6.243 1.00 0.00 C ATOM 131 C SER A 9 21.642 3.836 -6.024 1.00 0.00 C ATOM 132 O SER A 9 21.031 3.264 -5.116 1.00 0.00 O ATOM 133 CB SER A 9 23.472 2.251 -6.926 1.00 0.00 C ATOM 134 OG SER A 9 23.089 1.141 -6.132 1.00 0.00 O ATOM 0 H SER A 9 23.210 3.038 -4.245 1.00 0.00 H new ATOM 0 HA SER A 9 23.511 4.340 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 9 22.970 2.198 -7.892 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.544 2.207 -7.120 1.00 0.00 H new ATOM 0 HG SER A 9 23.320 0.310 -6.598 1.00 0.00 H new ATOM 140 N GLU A 10 21.060 4.705 -6.835 1.00 0.00 N ATOM 141 CA GLU A 10 19.651 5.078 -6.785 1.00 0.00 C ATOM 142 C GLU A 10 18.977 4.810 -8.142 1.00 0.00 C ATOM 143 O GLU A 10 17.803 5.122 -8.343 1.00 0.00 O ATOM 144 CB GLU A 10 19.492 6.503 -6.211 1.00 0.00 C ATOM 145 CG GLU A 10 20.400 7.603 -6.789 1.00 0.00 C ATOM 146 CD GLU A 10 21.777 7.689 -6.107 1.00 0.00 C ATOM 147 OE1 GLU A 10 21.864 8.127 -4.937 1.00 0.00 O ATOM 148 OE2 GLU A 10 22.802 7.384 -6.763 1.00 0.00 O ATOM 0 H GLU A 10 21.572 5.188 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 10 19.105 4.445 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.456 6.811 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 10 19.664 6.454 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 10 20.543 7.422 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.896 8.565 -6.694 1.00 0.00 H new ATOM 155 N VAL A 11 19.720 4.208 -9.072 1.00 0.00 N ATOM 156 CA VAL A 11 19.291 3.840 -10.412 1.00 0.00 C ATOM 157 C VAL A 11 18.311 2.662 -10.389 1.00 0.00 C ATOM 158 O VAL A 11 17.244 2.738 -10.998 1.00 0.00 O ATOM 159 CB VAL A 11 20.531 3.501 -11.278 1.00 0.00 C ATOM 160 CG1 VAL A 11 21.151 4.780 -11.830 1.00 0.00 C ATOM 161 CG2 VAL A 11 21.640 2.697 -10.566 1.00 0.00 C ATOM 0 H VAL A 11 20.691 3.952 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 11 18.765 4.689 -10.849 1.00 0.00 H new ATOM 0 HB VAL A 11 20.141 2.857 -12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 11 22.021 4.530 -12.437 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.419 5.304 -12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.457 5.422 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.460 2.514 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.009 3.264 -9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 11 21.236 1.745 -10.223 1.00 0.00 H new ATOM 171 N ARG A 12 18.665 1.577 -9.697 1.00 0.00 N ATOM 172 CA ARG A 12 17.856 0.369 -9.615 1.00 0.00 C ATOM 173 C ARG A 12 16.583 0.605 -8.814 1.00 0.00 C ATOM 174 O ARG A 12 16.529 1.497 -7.960 1.00 0.00 O ATOM 175 CB ARG A 12 18.712 -0.729 -8.956 1.00 0.00 C ATOM 176 CG ARG A 12 18.408 -2.153 -9.427 1.00 0.00 C ATOM 177 CD ARG A 12 19.042 -3.201 -8.507 1.00 0.00 C ATOM 178 NE ARG A 12 20.481 -3.003 -8.243 1.00 0.00 N ATOM 179 CZ ARG A 12 21.132 -3.545 -7.203 1.00 0.00 C ATOM 180 NH1 ARG A 12 20.512 -4.335 -6.339 1.00 0.00 N ATOM 181 NH2 ARG A 12 22.416 -3.301 -7.000 1.00 0.00 N ATOM 0 H ARG A 12 19.537 1.517 -9.171 1.00 0.00 H new ATOM 0 HA ARG A 12 17.549 0.066 -10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 12 19.763 -0.515 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 12 18.570 -0.681 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 12 17.329 -2.303 -9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 12 18.780 -2.288 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.509 -3.200 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.900 -4.187 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 12 21.012 -2.419 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 12 19.520 -4.542 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 12 21.026 -4.737 -5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 12 22.927 -2.692 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 12 22.895 -3.722 -6.204 1.00 0.00 H new ATOM 195 N GLN A 13 15.561 -0.216 -9.047 1.00 0.00 N ATOM 196 CA GLN A 13 14.297 -0.125 -8.323 1.00 0.00 C ATOM 197 C GLN A 13 14.425 -0.975 -7.058 1.00 0.00 C ATOM 198 O GLN A 13 13.805 -2.027 -6.927 1.00 0.00 O ATOM 199 CB GLN A 13 13.091 -0.489 -9.217 1.00 0.00 C ATOM 200 CG GLN A 13 13.230 -1.808 -10.006 1.00 0.00 C ATOM 201 CD GLN A 13 11.936 -2.250 -10.693 1.00 0.00 C ATOM 202 OE1 GLN A 13 11.043 -1.456 -10.979 1.00 0.00 O ATOM 203 NE2 GLN A 13 11.839 -3.503 -11.097 1.00 0.00 N ATOM 0 H GLN A 13 15.587 -0.962 -9.742 1.00 0.00 H new ATOM 0 HA GLN A 13 14.093 0.903 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.201 -0.551 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.926 0.323 -9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.010 -1.691 -10.759 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.558 -2.595 -9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.574 -4.172 -10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.029 -3.802 -11.640 1.00 0.00 H new ATOM 212 N LYS A 14 15.301 -0.538 -6.148 1.00 0.00 N ATOM 213 CA LYS A 14 15.525 -1.225 -4.876 1.00 0.00 C ATOM 214 C LYS A 14 14.236 -1.158 -4.057 1.00 0.00 C ATOM 215 O LYS A 14 13.869 -2.122 -3.396 1.00 0.00 O ATOM 216 CB LYS A 14 16.740 -0.619 -4.159 1.00 0.00 C ATOM 217 CG LYS A 14 16.488 0.807 -3.646 1.00 0.00 C ATOM 218 CD LYS A 14 17.795 1.556 -3.385 1.00 0.00 C ATOM 219 CE LYS A 14 17.662 2.649 -2.313 1.00 0.00 C ATOM 220 NZ LYS A 14 16.541 3.588 -2.544 1.00 0.00 N ATOM 0 H LYS A 14 15.872 0.298 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 14 15.763 -2.278 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 14 17.014 -1.258 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 14 17.589 -0.608 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.894 1.356 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.904 0.765 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.559 0.843 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.139 2.008 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.530 2.175 -1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.593 3.215 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.558 4.334 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.637 4.019 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.639 3.072 -2.490 1.00 0.00 H new ATOM 234 N THR A 15 13.573 0.000 -4.070 1.00 0.00 N ATOM 235 CA THR A 15 12.325 0.216 -3.388 1.00 0.00 C ATOM 236 C THR A 15 11.287 -0.672 -4.053 1.00 0.00 C ATOM 237 O THR A 15 11.350 -0.984 -5.245 1.00 0.00 O ATOM 238 CB THR A 15 11.970 1.704 -3.520 1.00 0.00 C ATOM 239 OG1 THR A 15 10.920 2.177 -2.706 1.00 0.00 O ATOM 240 CG2 THR A 15 11.637 2.132 -4.953 1.00 0.00 C ATOM 0 H THR A 15 13.908 0.823 -4.570 1.00 0.00 H new ATOM 0 HA THR A 15 12.375 -0.033 -2.328 1.00 0.00 H new ATOM 0 HB THR A 15 12.900 2.155 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.884 1.651 -1.880 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.396 3.195 -4.969 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.496 1.945 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.781 1.561 -5.314 1.00 0.00 H new ATOM 248 N VAL A 16 10.355 -1.099 -3.233 1.00 0.00 N ATOM 249 CA VAL A 16 9.252 -1.924 -3.662 1.00 0.00 C ATOM 250 C VAL A 16 8.248 -0.968 -4.287 1.00 0.00 C ATOM 251 O VAL A 16 8.124 0.184 -3.868 1.00 0.00 O ATOM 252 CB VAL A 16 8.636 -2.669 -2.461 1.00 0.00 C ATOM 253 CG1 VAL A 16 8.389 -1.767 -1.276 1.00 0.00 C ATOM 254 CG2 VAL A 16 7.368 -3.445 -2.813 1.00 0.00 C ATOM 0 H VAL A 16 10.342 -0.880 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 16 9.567 -2.689 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 16 9.393 -3.399 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.955 -2.347 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.332 -1.331 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.701 -0.971 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.988 -3.945 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.613 -2.756 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.597 -4.189 -3.576 1.00 0.00 H new ATOM 264 N VAL A 17 7.512 -1.453 -5.271 1.00 0.00 N ATOM 265 CA VAL A 17 6.480 -0.708 -5.946 1.00 0.00 C ATOM 266 C VAL A 17 5.366 -1.682 -6.296 1.00 0.00 C ATOM 267 O VAL A 17 5.557 -2.647 -7.048 1.00 0.00 O ATOM 268 CB VAL A 17 7.058 0.113 -7.106 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.641 -0.717 -8.252 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.994 1.084 -7.636 1.00 0.00 C ATOM 0 H VAL A 17 7.624 -2.402 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 17 6.037 0.058 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 17 7.905 0.660 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.025 -0.051 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.452 -1.340 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.862 -1.352 -8.674 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.409 1.665 -8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.130 0.520 -7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.686 1.758 -6.836 1.00 0.00 H new ATOM 280 N ARG A 18 4.216 -1.480 -5.671 1.00 0.00 N ATOM 281 CA ARG A 18 3.019 -2.276 -5.872 1.00 0.00 C ATOM 282 C ARG A 18 1.835 -1.324 -5.733 1.00 0.00 C ATOM 283 O ARG A 18 2.022 -0.127 -5.497 1.00 0.00 O ATOM 284 CB ARG A 18 2.978 -3.441 -4.859 1.00 0.00 C ATOM 285 CG ARG A 18 2.291 -4.689 -5.434 1.00 0.00 C ATOM 286 CD ARG A 18 2.096 -5.761 -4.356 1.00 0.00 C ATOM 287 NE ARG A 18 1.430 -6.968 -4.875 1.00 0.00 N ATOM 288 CZ ARG A 18 1.924 -7.846 -5.756 1.00 0.00 C ATOM 289 NH1 ARG A 18 3.195 -7.786 -6.144 1.00 0.00 N ATOM 290 NH2 ARG A 18 1.123 -8.784 -6.249 1.00 0.00 N ATOM 0 H ARG A 18 4.088 -0.733 -4.988 1.00 0.00 H new ATOM 0 HA ARG A 18 2.994 -2.741 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.995 -3.694 -4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.451 -3.120 -3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.324 -4.413 -5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.890 -5.094 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.066 -6.035 -3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.505 -5.347 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 18 0.490 -7.155 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.809 -7.063 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.555 -8.463 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.147 -8.827 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.484 -9.461 -6.921 1.00 0.00 H new ATOM 304 N THR A 19 0.639 -1.852 -5.930 1.00 0.00 N ATOM 305 CA THR A 19 -0.619 -1.143 -5.833 1.00 0.00 C ATOM 306 C THR A 19 -1.465 -2.000 -4.893 1.00 0.00 C ATOM 307 O THR A 19 -1.412 -3.232 -4.990 1.00 0.00 O ATOM 308 CB THR A 19 -1.227 -1.005 -7.243 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.290 -0.436 -8.146 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.507 -0.167 -7.283 1.00 0.00 C ATOM 0 H THR A 19 0.516 -2.835 -6.174 1.00 0.00 H new ATOM 0 HA THR A 19 -0.536 -0.127 -5.446 1.00 0.00 H new ATOM 0 HB THR A 19 -1.485 -2.021 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.697 -0.360 -9.034 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.876 -0.115 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.264 -0.628 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.294 0.839 -6.922 1.00 0.00 H new ATOM 318 N LEU A 20 -2.227 -1.391 -3.987 1.00 0.00 N ATOM 319 CA LEU A 20 -3.081 -2.116 -3.045 1.00 0.00 C ATOM 320 C LEU A 20 -4.532 -1.704 -3.244 1.00 0.00 C ATOM 321 O LEU A 20 -4.826 -0.750 -3.970 1.00 0.00 O ATOM 322 CB LEU A 20 -2.622 -1.904 -1.589 1.00 0.00 C ATOM 323 CG LEU A 20 -1.283 -2.576 -1.239 1.00 0.00 C ATOM 324 CD1 LEU A 20 -0.916 -2.254 0.208 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.318 -4.106 -1.375 1.00 0.00 C ATOM 0 H LEU A 20 -2.271 -0.377 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.995 -3.184 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.538 -0.834 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.392 -2.286 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.551 -2.186 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.033 -2.730 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.823 -1.175 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.695 -2.628 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.343 -4.517 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.075 -4.514 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.561 -4.374 -2.403 1.00 0.00 H new ATOM 337 N ARG A 21 -5.428 -2.456 -2.606 1.00 0.00 N ATOM 338 CA ARG A 21 -6.869 -2.280 -2.628 1.00 0.00 C ATOM 339 C ARG A 21 -7.422 -2.477 -1.228 1.00 0.00 C ATOM 340 O ARG A 21 -7.065 -3.451 -0.555 1.00 0.00 O ATOM 341 CB ARG A 21 -7.536 -3.333 -3.522 1.00 0.00 C ATOM 342 CG ARG A 21 -7.128 -3.396 -4.995 1.00 0.00 C ATOM 343 CD ARG A 21 -7.806 -2.312 -5.839 1.00 0.00 C ATOM 344 NE ARG A 21 -8.177 -2.856 -7.155 1.00 0.00 N ATOM 345 CZ ARG A 21 -7.367 -3.107 -8.187 1.00 0.00 C ATOM 346 NH1 ARG A 21 -6.093 -2.735 -8.153 1.00 0.00 N ATOM 347 NH2 ARG A 21 -7.829 -3.759 -9.245 1.00 0.00 N ATOM 0 H ARG A 21 -5.146 -3.248 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.076 -1.279 -3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.346 -4.312 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.613 -3.170 -3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.046 -3.289 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.382 -4.377 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.694 -1.943 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.134 -1.463 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.165 -3.065 -7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.724 -2.253 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.483 -2.932 -8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.801 -4.068 -9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.213 -3.952 -10.034 1.00 0.00 H new ATOM 361 N PHE A 22 -8.332 -1.604 -0.818 1.00 0.00 N ATOM 362 CA PHE A 22 -8.986 -1.661 0.488 1.00 0.00 C ATOM 363 C PHE A 22 -10.476 -1.449 0.242 1.00 0.00 C ATOM 364 O PHE A 22 -10.856 -0.866 -0.776 1.00 0.00 O ATOM 365 CB PHE A 22 -8.405 -0.623 1.471 1.00 0.00 C ATOM 366 CG PHE A 22 -6.885 -0.611 1.590 1.00 0.00 C ATOM 367 CD1 PHE A 22 -6.078 0.048 0.633 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.274 -1.270 2.675 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.676 -0.033 0.717 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.873 -1.290 2.786 1.00 0.00 C ATOM 371 CZ PHE A 22 -4.073 -0.697 1.798 1.00 0.00 C ATOM 0 H PHE A 22 -8.644 -0.821 -1.392 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.812 -2.627 0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.736 0.369 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.828 -0.807 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.539 0.614 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.882 -1.760 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.063 0.416 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.409 -1.765 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.997 -0.751 1.868 1.00 0.00 H new ATOM 381 N SER A 23 -11.342 -1.976 1.099 1.00 0.00 N ATOM 382 CA SER A 23 -12.787 -1.805 0.956 1.00 0.00 C ATOM 383 C SER A 23 -13.115 -0.324 1.237 1.00 0.00 C ATOM 384 O SER A 23 -12.271 0.379 1.793 1.00 0.00 O ATOM 385 CB SER A 23 -13.488 -2.775 1.925 1.00 0.00 C ATOM 386 OG SER A 23 -12.883 -4.059 1.853 1.00 0.00 O ATOM 0 H SER A 23 -11.067 -2.531 1.909 1.00 0.00 H new ATOM 0 HA SER A 23 -13.141 -2.040 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.426 -2.392 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.547 -2.849 1.676 1.00 0.00 H new ATOM 0 HG SER A 23 -12.044 -4.054 2.360 1.00 0.00 H new ATOM 392 N PRO A 24 -14.323 0.173 0.924 1.00 0.00 N ATOM 393 CA PRO A 24 -14.662 1.575 1.155 1.00 0.00 C ATOM 394 C PRO A 24 -14.482 1.979 2.616 1.00 0.00 C ATOM 395 O PRO A 24 -13.833 2.978 2.923 1.00 0.00 O ATOM 396 CB PRO A 24 -16.110 1.745 0.686 1.00 0.00 C ATOM 397 CG PRO A 24 -16.660 0.322 0.624 1.00 0.00 C ATOM 398 CD PRO A 24 -15.430 -0.507 0.279 1.00 0.00 C ATOM 0 HA PRO A 24 -13.992 2.232 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.682 2.362 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.157 2.232 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.098 0.017 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.438 0.223 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.530 -1.530 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.283 -0.564 -0.800 1.00 0.00 H new ATOM 406 N VAL A 25 -15.035 1.151 3.499 1.00 0.00 N ATOM 407 CA VAL A 25 -15.010 1.297 4.941 1.00 0.00 C ATOM 408 C VAL A 25 -13.569 1.305 5.460 1.00 0.00 C ATOM 409 O VAL A 25 -13.240 2.104 6.334 1.00 0.00 O ATOM 410 CB VAL A 25 -15.825 0.119 5.516 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.830 0.063 7.042 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.284 0.156 5.037 1.00 0.00 C ATOM 0 H VAL A 25 -15.540 0.315 3.204 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.447 2.245 5.254 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.320 -0.772 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.422 -0.790 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.808 -0.042 7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.264 0.981 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.828 -0.688 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.750 1.087 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.311 0.095 3.949 1.00 0.00 H new ATOM 422 N GLU A 26 -12.728 0.404 4.949 1.00 0.00 N ATOM 423 CA GLU A 26 -11.331 0.248 5.339 1.00 0.00 C ATOM 424 C GLU A 26 -10.513 1.462 4.911 1.00 0.00 C ATOM 425 O GLU A 26 -9.733 1.981 5.705 1.00 0.00 O ATOM 426 CB GLU A 26 -10.777 -1.041 4.713 1.00 0.00 C ATOM 427 CG GLU A 26 -11.465 -2.283 5.301 1.00 0.00 C ATOM 428 CD GLU A 26 -11.119 -3.587 4.586 1.00 0.00 C ATOM 429 OE1 GLU A 26 -10.834 -3.592 3.362 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.275 -4.666 5.199 1.00 0.00 O ATOM 0 H GLU A 26 -13.013 -0.258 4.228 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.262 0.175 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.925 -1.017 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.703 -1.100 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.190 -2.374 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.545 -2.138 5.266 1.00 0.00 H new ATOM 437 N ASP A 27 -10.690 1.919 3.669 1.00 0.00 N ATOM 438 CA ASP A 27 -9.977 3.081 3.140 1.00 0.00 C ATOM 439 C ASP A 27 -10.352 4.308 3.954 1.00 0.00 C ATOM 440 O ASP A 27 -9.479 5.085 4.322 1.00 0.00 O ATOM 441 CB ASP A 27 -10.344 3.294 1.668 1.00 0.00 C ATOM 442 CG ASP A 27 -9.534 4.402 0.984 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.288 4.415 1.092 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.122 5.183 0.200 1.00 0.00 O ATOM 0 H ASP A 27 -11.333 1.492 3.002 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.902 2.913 3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.194 2.360 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.405 3.536 1.599 1.00 0.00 H new ATOM 449 N GLU A 28 -11.638 4.445 4.281 1.00 0.00 N ATOM 450 CA GLU A 28 -12.169 5.541 5.073 1.00 0.00 C ATOM 451 C GLU A 28 -11.619 5.462 6.505 1.00 0.00 C ATOM 452 O GLU A 28 -11.326 6.497 7.101 1.00 0.00 O ATOM 453 CB GLU A 28 -13.703 5.497 5.000 1.00 0.00 C ATOM 454 CG GLU A 28 -14.354 6.607 5.827 1.00 0.00 C ATOM 455 CD GLU A 28 -15.734 6.987 5.289 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.660 6.140 5.273 1.00 0.00 O ATOM 457 OE2 GLU A 28 -15.873 8.155 4.860 1.00 0.00 O ATOM 0 H GLU A 28 -12.352 3.777 3.992 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.851 6.507 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.018 5.589 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.054 4.528 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.446 6.281 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.709 7.486 5.825 1.00 0.00 H new ATOM 464 N THR A 29 -11.455 4.256 7.061 1.00 0.00 N ATOM 465 CA THR A 29 -10.915 4.059 8.402 1.00 0.00 C ATOM 466 C THR A 29 -9.469 4.561 8.379 1.00 0.00 C ATOM 467 O THR A 29 -9.103 5.433 9.165 1.00 0.00 O ATOM 468 CB THR A 29 -11.009 2.573 8.819 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.358 2.138 8.822 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.408 2.296 10.200 1.00 0.00 C ATOM 0 H THR A 29 -11.696 3.386 6.586 1.00 0.00 H new ATOM 0 HA THR A 29 -11.488 4.615 9.144 1.00 0.00 H new ATOM 0 HB THR A 29 -10.428 2.021 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.644 1.954 7.903 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.506 1.236 10.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.354 2.572 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.937 2.883 10.951 1.00 0.00 H new ATOM 478 N ILE A 30 -8.654 4.035 7.458 1.00 0.00 N ATOM 479 CA ILE A 30 -7.250 4.399 7.301 1.00 0.00 C ATOM 480 C ILE A 30 -7.149 5.910 7.081 1.00 0.00 C ATOM 481 O ILE A 30 -6.327 6.562 7.712 1.00 0.00 O ATOM 482 CB ILE A 30 -6.600 3.564 6.168 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.503 2.078 6.595 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.203 4.112 5.799 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.265 1.094 5.440 1.00 0.00 C ATOM 0 H ILE A 30 -8.963 3.330 6.789 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.688 4.164 8.205 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.231 3.640 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.693 1.973 7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.424 1.800 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.773 3.505 5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.295 5.144 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.554 4.074 6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.211 0.079 5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.087 1.164 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.328 1.340 4.940 1.00 0.00 H new ATOM 497 N ARG A 31 -7.984 6.486 6.214 1.00 0.00 N ATOM 498 CA ARG A 31 -7.979 7.913 5.919 1.00 0.00 C ATOM 499 C ARG A 31 -8.252 8.732 7.178 1.00 0.00 C ATOM 500 O ARG A 31 -7.537 9.701 7.424 1.00 0.00 O ATOM 501 CB ARG A 31 -8.984 8.208 4.792 1.00 0.00 C ATOM 502 CG ARG A 31 -8.985 9.688 4.391 1.00 0.00 C ATOM 503 CD ARG A 31 -9.820 9.931 3.127 1.00 0.00 C ATOM 504 NE ARG A 31 -9.838 11.366 2.805 1.00 0.00 N ATOM 505 CZ ARG A 31 -10.319 11.955 1.709 1.00 0.00 C ATOM 506 NH1 ARG A 31 -10.793 11.234 0.708 1.00 0.00 N ATOM 507 NH2 ARG A 31 -10.341 13.275 1.607 1.00 0.00 N ATOM 0 H ARG A 31 -8.689 5.965 5.693 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.990 8.210 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.742 7.598 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.984 7.920 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.382 10.287 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.961 10.020 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.403 9.368 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.838 9.571 3.278 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.433 11.987 3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.794 10.216 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.158 11.696 -0.125 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.988 13.851 2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.711 13.715 0.765 1.00 0.00 H new ATOM 521 N LYS A 32 -9.273 8.375 7.962 1.00 0.00 N ATOM 522 CA LYS A 32 -9.596 9.114 9.179 1.00 0.00 C ATOM 523 C LYS A 32 -8.459 9.013 10.186 1.00 0.00 C ATOM 524 O LYS A 32 -8.073 10.045 10.730 1.00 0.00 O ATOM 525 CB LYS A 32 -10.908 8.637 9.819 1.00 0.00 C ATOM 526 CG LYS A 32 -12.118 9.525 9.480 1.00 0.00 C ATOM 527 CD LYS A 32 -12.703 9.263 8.089 1.00 0.00 C ATOM 528 CE LYS A 32 -13.766 10.331 7.788 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.485 10.078 6.521 1.00 0.00 N ATOM 0 H LYS A 32 -9.886 7.582 7.774 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.730 10.156 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.113 7.618 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.784 8.605 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.895 9.366 10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.820 10.571 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.915 9.293 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.146 8.268 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.484 10.365 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.289 11.310 7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.178 10.836 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.805 10.055 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.979 9.164 6.578 1.00 0.00 H new ATOM 543 N LYS A 33 -7.941 7.810 10.462 1.00 0.00 N ATOM 544 CA LYS A 33 -6.854 7.636 11.426 1.00 0.00 C ATOM 545 C LYS A 33 -5.623 8.420 10.970 1.00 0.00 C ATOM 546 O LYS A 33 -5.030 9.142 11.769 1.00 0.00 O ATOM 547 CB LYS A 33 -6.510 6.148 11.618 1.00 0.00 C ATOM 548 CG LYS A 33 -7.590 5.256 12.255 1.00 0.00 C ATOM 549 CD LYS A 33 -7.929 5.650 13.699 1.00 0.00 C ATOM 550 CE LYS A 33 -8.801 4.580 14.374 1.00 0.00 C ATOM 551 NZ LYS A 33 -8.014 3.516 15.025 1.00 0.00 N ATOM 0 H LYS A 33 -8.259 6.943 10.029 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.185 8.024 12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.258 5.730 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.613 6.085 12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.495 5.306 11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.252 4.220 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.009 5.786 14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.452 6.607 13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.440 5.057 15.117 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.458 4.133 13.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.658 2.826 15.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.423 3.038 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.405 3.933 15.758 1.00 0.00 H new ATOM 565 N ALA A 34 -5.265 8.307 9.690 1.00 0.00 N ATOM 566 CA ALA A 34 -4.124 8.990 9.101 1.00 0.00 C ATOM 567 C ALA A 34 -4.250 10.498 9.299 1.00 0.00 C ATOM 568 O ALA A 34 -3.355 11.131 9.857 1.00 0.00 O ATOM 569 CB ALA A 34 -4.031 8.632 7.614 1.00 0.00 C ATOM 0 H ALA A 34 -5.774 7.725 9.025 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.208 8.666 9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.177 9.143 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.906 7.555 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.944 8.944 7.107 1.00 0.00 H new ATOM 575 N GLU A 35 -5.368 11.069 8.853 1.00 0.00 N ATOM 576 CA GLU A 35 -5.611 12.500 8.951 1.00 0.00 C ATOM 577 C GLU A 35 -5.707 12.971 10.401 1.00 0.00 C ATOM 578 O GLU A 35 -5.259 14.075 10.701 1.00 0.00 O ATOM 579 CB GLU A 35 -6.851 12.871 8.126 1.00 0.00 C ATOM 580 CG GLU A 35 -7.012 14.393 7.991 1.00 0.00 C ATOM 581 CD GLU A 35 -8.051 14.740 6.927 1.00 0.00 C ATOM 582 OE1 GLU A 35 -7.721 14.668 5.716 1.00 0.00 O ATOM 583 OE2 GLU A 35 -9.228 15.011 7.271 1.00 0.00 O ATOM 0 H GLU A 35 -6.128 10.549 8.414 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.754 13.028 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.775 12.424 7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.740 12.452 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.312 14.817 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.054 14.842 7.729 1.00 0.00 H new ATOM 590 N ASP A 36 -6.261 12.165 11.310 1.00 0.00 N ATOM 591 CA ASP A 36 -6.387 12.525 12.725 1.00 0.00 C ATOM 592 C ASP A 36 -4.981 12.613 13.312 1.00 0.00 C ATOM 593 O ASP A 36 -4.676 13.532 14.068 1.00 0.00 O ATOM 594 CB ASP A 36 -7.259 11.514 13.484 1.00 0.00 C ATOM 595 CG ASP A 36 -7.572 11.926 14.927 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.564 13.137 15.261 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.965 11.036 15.713 1.00 0.00 O ATOM 0 H ASP A 36 -6.635 11.243 11.086 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.887 13.488 12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.196 11.379 12.944 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.754 10.548 13.493 1.00 0.00 H new ATOM 602 N SER A 37 -4.102 11.690 12.913 1.00 0.00 N ATOM 603 CA SER A 37 -2.708 11.617 13.325 1.00 0.00 C ATOM 604 C SER A 37 -1.881 12.696 12.599 1.00 0.00 C ATOM 605 O SER A 37 -0.722 12.936 12.946 1.00 0.00 O ATOM 606 CB SER A 37 -2.220 10.199 13.002 1.00 0.00 C ATOM 607 OG SER A 37 -0.918 9.914 13.484 1.00 0.00 O ATOM 0 H SER A 37 -4.359 10.944 12.267 1.00 0.00 H new ATOM 0 HA SER A 37 -2.594 11.810 14.392 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.919 9.479 13.427 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.235 10.058 11.921 1.00 0.00 H new ATOM 0 HG SER A 37 -0.380 10.733 13.478 1.00 0.00 H new ATOM 613 N GLY A 38 -2.452 13.361 11.589 1.00 0.00 N ATOM 614 CA GLY A 38 -1.819 14.405 10.799 1.00 0.00 C ATOM 615 C GLY A 38 -0.760 13.889 9.821 1.00 0.00 C ATOM 616 O GLY A 38 -0.088 14.702 9.186 1.00 0.00 O ATOM 0 H GLY A 38 -3.410 13.173 11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.587 14.939 10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.356 15.126 11.473 1.00 0.00 H new ATOM 620 N LEU A 39 -0.556 12.573 9.698 1.00 0.00 N ATOM 621 CA LEU A 39 0.425 11.996 8.790 1.00 0.00 C ATOM 622 C LEU A 39 -0.377 11.406 7.655 1.00 0.00 C ATOM 623 O LEU A 39 -1.319 10.651 7.893 1.00 0.00 O ATOM 624 CB LEU A 39 1.303 10.887 9.402 1.00 0.00 C ATOM 625 CG LEU A 39 1.890 11.115 10.804 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.894 9.997 11.108 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.594 12.470 10.916 1.00 0.00 C ATOM 0 H LEU A 39 -1.075 11.877 10.234 1.00 0.00 H new ATOM 0 HA LEU A 39 1.122 12.780 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.710 9.973 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.133 10.705 8.719 1.00 0.00 H new ATOM 0 HG LEU A 39 1.069 11.107 11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.317 10.148 12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.387 9.033 11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.693 10.014 10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.994 12.590 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.409 12.517 10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.881 13.269 10.711 1.00 0.00 H new ATOM 639 N THR A 40 -0.026 11.761 6.428 1.00 0.00 N ATOM 640 CA THR A 40 -0.694 11.263 5.236 1.00 0.00 C ATOM 641 C THR A 40 -0.787 9.727 5.270 1.00 0.00 C ATOM 642 O THR A 40 0.074 9.043 5.827 1.00 0.00 O ATOM 643 CB THR A 40 0.076 11.792 4.016 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.512 11.346 2.811 1.00 0.00 O ATOM 645 CG2 THR A 40 1.558 11.387 4.045 1.00 0.00 C ATOM 0 H THR A 40 0.737 12.408 6.231 1.00 0.00 H new ATOM 0 HA THR A 40 -1.723 11.619 5.181 1.00 0.00 H new ATOM 0 HB THR A 40 0.020 12.880 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.005 11.698 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.061 11.784 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.028 11.790 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.638 10.300 4.050 1.00 0.00 H new ATOM 653 N VAL A 41 -1.803 9.175 4.608 1.00 0.00 N ATOM 654 CA VAL A 41 -2.089 7.750 4.508 1.00 0.00 C ATOM 655 C VAL A 41 -0.837 6.939 4.171 1.00 0.00 C ATOM 656 O VAL A 41 -0.644 5.865 4.736 1.00 0.00 O ATOM 657 CB VAL A 41 -3.230 7.548 3.490 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.438 6.079 3.097 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.545 8.104 4.052 1.00 0.00 C ATOM 0 H VAL A 41 -2.483 9.742 4.101 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.417 7.372 5.476 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.935 8.089 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.255 6.007 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.524 5.690 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.683 5.496 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.343 7.956 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.795 7.583 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.432 9.169 4.255 1.00 0.00 H new ATOM 669 N SER A 42 0.034 7.413 3.278 1.00 0.00 N ATOM 670 CA SER A 42 1.235 6.663 2.929 1.00 0.00 C ATOM 671 C SER A 42 2.142 6.460 4.150 1.00 0.00 C ATOM 672 O SER A 42 2.692 5.370 4.331 1.00 0.00 O ATOM 673 CB SER A 42 1.957 7.327 1.746 1.00 0.00 C ATOM 674 OG SER A 42 1.957 8.741 1.860 1.00 0.00 O ATOM 0 H SER A 42 -0.070 8.303 2.790 1.00 0.00 H new ATOM 0 HA SER A 42 0.944 5.664 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.984 6.966 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.472 7.037 0.814 1.00 0.00 H new ATOM 0 HG SER A 42 2.425 9.131 1.093 1.00 0.00 H new ATOM 680 N ALA A 43 2.312 7.506 4.965 1.00 0.00 N ATOM 681 CA ALA A 43 3.110 7.468 6.180 1.00 0.00 C ATOM 682 C ALA A 43 2.376 6.617 7.217 1.00 0.00 C ATOM 683 O ALA A 43 3.012 5.807 7.874 1.00 0.00 O ATOM 684 CB ALA A 43 3.354 8.878 6.722 1.00 0.00 C ATOM 0 H ALA A 43 1.888 8.417 4.789 1.00 0.00 H new ATOM 0 HA ALA A 43 4.084 7.030 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.953 8.820 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.884 9.468 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.398 9.352 6.947 1.00 0.00 H new ATOM 690 N TYR A 44 1.051 6.761 7.350 1.00 0.00 N ATOM 691 CA TYR A 44 0.254 5.985 8.299 1.00 0.00 C ATOM 692 C TYR A 44 0.492 4.489 8.049 1.00 0.00 C ATOM 693 O TYR A 44 0.854 3.761 8.968 1.00 0.00 O ATOM 694 CB TYR A 44 -1.229 6.354 8.172 1.00 0.00 C ATOM 695 CG TYR A 44 -2.154 5.509 9.028 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.693 4.313 8.515 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.474 5.906 10.339 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.566 3.534 9.296 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.325 5.119 11.130 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.880 3.931 10.615 1.00 0.00 C ATOM 701 OH TYR A 44 -4.729 3.193 11.379 1.00 0.00 O ATOM 0 H TYR A 44 0.503 7.422 6.799 1.00 0.00 H new ATOM 0 HA TYR A 44 0.559 6.217 9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.356 7.402 8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.528 6.257 7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.435 3.992 7.517 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.063 6.821 10.739 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.996 2.632 8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.556 5.426 12.139 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.874 2.320 10.957 1.00 0.00 H new ATOM 711 N ILE A 45 0.345 4.049 6.793 1.00 0.00 N ATOM 712 CA ILE A 45 0.534 2.668 6.358 1.00 0.00 C ATOM 713 C ILE A 45 1.940 2.187 6.722 1.00 0.00 C ATOM 714 O ILE A 45 2.095 1.234 7.480 1.00 0.00 O ATOM 715 CB ILE A 45 0.244 2.554 4.837 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.254 2.753 4.515 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.746 1.223 4.241 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.152 1.588 4.925 1.00 0.00 C ATOM 0 H ILE A 45 0.082 4.670 6.028 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.170 2.017 6.876 1.00 0.00 H new ATOM 0 HB ILE A 45 0.803 3.362 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.603 3.657 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.363 2.919 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.519 1.193 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.824 1.143 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.251 0.391 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.185 1.814 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.835 0.684 4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.078 1.433 6.001 1.00 0.00 H new ATOM 730 N ARG A 46 2.972 2.838 6.178 1.00 0.00 N ATOM 731 CA ARG A 46 4.368 2.484 6.416 1.00 0.00 C ATOM 732 C ARG A 46 4.652 2.383 7.910 1.00 0.00 C ATOM 733 O ARG A 46 5.289 1.430 8.333 1.00 0.00 O ATOM 734 CB ARG A 46 5.306 3.417 5.613 1.00 0.00 C ATOM 735 CG ARG A 46 5.876 4.628 6.364 1.00 0.00 C ATOM 736 CD ARG A 46 6.598 5.547 5.382 1.00 0.00 C ATOM 737 NE ARG A 46 7.105 6.766 6.032 1.00 0.00 N ATOM 738 CZ ARG A 46 8.010 7.588 5.492 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.571 7.294 4.324 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.340 8.716 6.105 1.00 0.00 N ATOM 0 H ARG A 46 2.857 3.635 5.552 1.00 0.00 H new ATOM 0 HA ARG A 46 4.578 1.485 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.141 2.823 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.761 3.781 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.073 5.171 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.565 4.296 7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.429 5.008 4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.917 5.823 4.577 1.00 0.00 H new ATOM 0 HE ARG A 46 6.742 6.999 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.312 6.437 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.261 7.925 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.903 8.960 6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.031 9.340 5.688 1.00 0.00 H new ATOM 754 N ASN A 47 4.170 3.331 8.710 1.00 0.00 N ATOM 755 CA ASN A 47 4.350 3.343 10.151 1.00 0.00 C ATOM 756 C ASN A 47 3.695 2.117 10.768 1.00 0.00 C ATOM 757 O ASN A 47 4.386 1.355 11.439 1.00 0.00 O ATOM 758 CB ASN A 47 3.772 4.640 10.748 1.00 0.00 C ATOM 759 CG ASN A 47 3.438 4.489 12.226 1.00 0.00 C ATOM 760 OD1 ASN A 47 4.321 4.260 13.043 1.00 0.00 O ATOM 761 ND2 ASN A 47 2.171 4.590 12.588 1.00 0.00 N ATOM 0 H ASN A 47 3.633 4.126 8.363 1.00 0.00 H new ATOM 0 HA ASN A 47 5.415 3.311 10.379 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.490 5.450 10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.873 4.922 10.200 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.910 4.477 13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.454 4.781 11.888 1.00 0.00 H new ATOM 768 N ALA A 48 2.399 1.920 10.538 1.00 0.00 N ATOM 769 CA ALA A 48 1.641 0.807 11.088 1.00 0.00 C ATOM 770 C ALA A 48 2.188 -0.564 10.683 1.00 0.00 C ATOM 771 O ALA A 48 2.088 -1.512 11.451 1.00 0.00 O ATOM 772 CB ALA A 48 0.179 0.964 10.663 1.00 0.00 C ATOM 0 H ALA A 48 1.840 2.542 9.954 1.00 0.00 H new ATOM 0 HA ALA A 48 1.731 0.840 12.174 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.408 0.138 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.212 1.907 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.114 0.959 9.575 1.00 0.00 H new ATOM 778 N ALA A 49 2.767 -0.688 9.488 1.00 0.00 N ATOM 779 CA ALA A 49 3.310 -1.949 9.001 1.00 0.00 C ATOM 780 C ALA A 49 4.656 -2.325 9.632 1.00 0.00 C ATOM 781 O ALA A 49 5.021 -3.502 9.622 1.00 0.00 O ATOM 782 CB ALA A 49 3.454 -1.854 7.484 1.00 0.00 C ATOM 0 H ALA A 49 2.871 0.086 8.832 1.00 0.00 H new ATOM 0 HA ALA A 49 2.616 -2.739 9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.860 -2.789 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.477 -1.670 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.128 -1.035 7.233 1.00 0.00 H new ATOM 788 N LEU A 50 5.420 -1.343 10.120 1.00 0.00 N ATOM 789 CA LEU A 50 6.721 -1.578 10.753 1.00 0.00 C ATOM 790 C LEU A 50 6.573 -1.611 12.265 1.00 0.00 C ATOM 791 O LEU A 50 7.397 -2.223 12.947 1.00 0.00 O ATOM 792 CB LEU A 50 7.696 -0.447 10.439 1.00 0.00 C ATOM 793 CG LEU A 50 7.913 -0.197 8.947 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.476 1.217 8.846 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.767 -1.253 8.253 1.00 0.00 C ATOM 0 H LEU A 50 5.152 -0.359 10.087 1.00 0.00 H new ATOM 0 HA LEU A 50 7.094 -2.527 10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.330 0.471 10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.657 -0.673 10.901 1.00 0.00 H new ATOM 0 HG LEU A 50 6.972 -0.282 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.656 1.463 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.761 1.924 9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.414 1.276 9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.872 -1.000 7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.752 -1.287 8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.288 -2.228 8.347 1.00 0.00 H new ATOM 807 N ASN A 51 5.575 -0.895 12.771 1.00 0.00 N ATOM 808 CA ASN A 51 5.236 -0.795 14.187 1.00 0.00 C ATOM 809 C ASN A 51 3.960 -1.584 14.430 1.00 0.00 C ATOM 810 O ASN A 51 3.982 -2.810 14.171 1.00 0.00 O ATOM 811 CB ASN A 51 5.093 0.669 14.621 1.00 0.00 C ATOM 812 CG ASN A 51 6.366 1.450 14.386 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.270 1.472 15.212 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.495 2.080 13.237 1.00 0.00 N ATOM 0 H ASN A 51 4.953 -0.344 12.180 1.00 0.00 H new ATOM 0 HA ASN A 51 6.039 -1.216 14.792 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.275 1.133 14.071 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.830 0.711 15.678 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.353 2.591 13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.737 2.057 12.555 1.00 0.00 H new TER 821 ASN A 51 ATOM 822 N SER B 1 -42.938 -11.766 4.743 1.00 0.00 N ATOM 823 CA SER B 1 -43.557 -10.499 4.330 1.00 0.00 C ATOM 824 C SER B 1 -42.421 -9.730 3.698 1.00 0.00 C ATOM 825 O SER B 1 -42.303 -9.794 2.480 1.00 0.00 O ATOM 826 CB SER B 1 -44.260 -9.785 5.498 1.00 0.00 C ATOM 827 OG SER B 1 -43.576 -10.017 6.719 1.00 0.00 O ATOM 0 H1 SER B 1 -43.548 -12.559 4.460 1.00 0.00 H new ATOM 0 H2 SER B 1 -42.009 -11.864 4.286 1.00 0.00 H new ATOM 0 H3 SER B 1 -42.818 -11.773 5.776 1.00 0.00 H new ATOM 0 HA SER B 1 -44.375 -10.625 3.621 1.00 0.00 H new ATOM 0 HB2 SER B 1 -44.306 -8.714 5.300 1.00 0.00 H new ATOM 0 HB3 SER B 1 -45.288 -10.138 5.580 1.00 0.00 H new ATOM 0 HG SER B 1 -44.039 -9.552 7.447 1.00 0.00 H new ATOM 833 N ASP B 2 -41.631 -9.018 4.500 1.00 0.00 N ATOM 834 CA ASP B 2 -40.467 -8.309 3.991 1.00 0.00 C ATOM 835 C ASP B 2 -39.398 -9.387 3.730 1.00 0.00 C ATOM 836 O ASP B 2 -39.539 -10.527 4.200 1.00 0.00 O ATOM 837 CB ASP B 2 -39.976 -7.287 5.028 1.00 0.00 C ATOM 838 CG ASP B 2 -38.628 -6.695 4.612 1.00 0.00 C ATOM 839 OD1 ASP B 2 -38.547 -6.248 3.447 1.00 0.00 O ATOM 840 OD2 ASP B 2 -37.678 -6.798 5.414 1.00 0.00 O ATOM 0 H ASP B 2 -41.779 -8.919 5.504 1.00 0.00 H new ATOM 0 HA ASP B 2 -40.694 -7.754 3.081 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -40.711 -6.489 5.135 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -39.882 -7.767 6.002 1.00 0.00 H new ATOM 845 N SER B 3 -38.384 -9.045 2.945 1.00 0.00 N ATOM 846 CA SER B 3 -37.254 -9.864 2.566 1.00 0.00 C ATOM 847 C SER B 3 -36.067 -8.907 2.620 1.00 0.00 C ATOM 848 O SER B 3 -35.695 -8.329 1.599 1.00 0.00 O ATOM 849 CB SER B 3 -37.473 -10.464 1.171 1.00 0.00 C ATOM 850 OG SER B 3 -38.565 -11.367 1.156 1.00 0.00 O ATOM 0 H SER B 3 -38.332 -8.115 2.528 1.00 0.00 H new ATOM 0 HA SER B 3 -37.098 -10.722 3.220 1.00 0.00 H new ATOM 0 HB2 SER B 3 -37.653 -9.663 0.454 1.00 0.00 H new ATOM 0 HB3 SER B 3 -36.568 -10.981 0.851 1.00 0.00 H new ATOM 0 HG SER B 3 -38.678 -11.729 0.252 1.00 0.00 H new ATOM 856 N ALA B 4 -35.483 -8.751 3.811 1.00 0.00 N ATOM 857 CA ALA B 4 -34.356 -7.877 4.107 1.00 0.00 C ATOM 858 C ALA B 4 -33.070 -8.240 3.343 1.00 0.00 C ATOM 859 O ALA B 4 -32.126 -8.791 3.909 1.00 0.00 O ATOM 860 CB ALA B 4 -34.134 -7.849 5.627 1.00 0.00 C ATOM 0 H ALA B 4 -35.804 -9.260 4.635 1.00 0.00 H new ATOM 0 HA ALA B 4 -34.608 -6.877 3.753 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -33.292 -7.197 5.860 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -35.031 -7.473 6.119 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -33.921 -8.857 5.982 1.00 0.00 H new ATOM 866 N VAL B 5 -33.009 -7.901 2.059 1.00 0.00 N ATOM 867 CA VAL B 5 -31.886 -8.123 1.162 1.00 0.00 C ATOM 868 C VAL B 5 -31.852 -6.904 0.233 1.00 0.00 C ATOM 869 O VAL B 5 -32.890 -6.307 -0.056 1.00 0.00 O ATOM 870 CB VAL B 5 -32.021 -9.501 0.470 1.00 0.00 C ATOM 871 CG1 VAL B 5 -33.182 -9.609 -0.530 1.00 0.00 C ATOM 872 CG2 VAL B 5 -30.713 -9.889 -0.229 1.00 0.00 C ATOM 0 H VAL B 5 -33.788 -7.437 1.592 1.00 0.00 H new ATOM 0 HA VAL B 5 -30.921 -8.189 1.665 1.00 0.00 H new ATOM 0 HB VAL B 5 -32.247 -10.196 1.279 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -33.197 -10.609 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -34.124 -9.423 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -33.050 -8.872 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -30.831 -10.861 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -30.467 -9.140 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -29.910 -9.942 0.506 1.00 0.00 H new ATOM 882 N ARG B 6 -30.672 -6.478 -0.228 1.00 0.00 N ATOM 883 CA ARG B 6 -30.553 -5.310 -1.102 1.00 0.00 C ATOM 884 C ARG B 6 -29.374 -5.476 -2.047 1.00 0.00 C ATOM 885 O ARG B 6 -28.313 -5.954 -1.631 1.00 0.00 O ATOM 886 CB ARG B 6 -30.446 -4.033 -0.241 1.00 0.00 C ATOM 887 CG ARG B 6 -29.199 -3.990 0.662 1.00 0.00 C ATOM 888 CD ARG B 6 -29.263 -2.928 1.762 1.00 0.00 C ATOM 889 NE ARG B 6 -29.179 -1.563 1.219 1.00 0.00 N ATOM 890 CZ ARG B 6 -28.727 -0.482 1.863 1.00 0.00 C ATOM 891 NH1 ARG B 6 -28.225 -0.573 3.089 1.00 0.00 N ATOM 892 NH2 ARG B 6 -28.766 0.715 1.294 1.00 0.00 N ATOM 0 H ARG B 6 -29.783 -6.928 -0.009 1.00 0.00 H new ATOM 0 HA ARG B 6 -31.443 -5.217 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -30.436 -3.164 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -31.336 -3.952 0.382 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -29.063 -4.968 1.123 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -28.321 -3.805 0.043 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -30.193 -3.039 2.319 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -28.448 -3.088 2.468 1.00 0.00 H new ATOM 0 HE ARG B 6 -29.496 -1.429 0.259 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -28.179 -1.479 3.555 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -27.885 0.263 3.564 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -29.145 0.820 0.353 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -28.418 1.531 1.798 1.00 0.00 H new ATOM 906 N LYS B 7 -29.565 -5.114 -3.319 1.00 0.00 N ATOM 907 CA LYS B 7 -28.511 -5.210 -4.324 1.00 0.00 C ATOM 908 C LYS B 7 -27.492 -4.103 -4.079 1.00 0.00 C ATOM 909 O LYS B 7 -27.765 -3.144 -3.348 1.00 0.00 O ATOM 910 CB LYS B 7 -29.067 -5.145 -5.760 1.00 0.00 C ATOM 911 CG LYS B 7 -29.673 -6.471 -6.255 1.00 0.00 C ATOM 912 CD LYS B 7 -31.126 -6.740 -5.829 1.00 0.00 C ATOM 913 CE LYS B 7 -32.136 -5.714 -6.371 1.00 0.00 C ATOM 914 NZ LYS B 7 -32.121 -5.619 -7.849 1.00 0.00 N ATOM 0 H LYS B 7 -30.448 -4.749 -3.676 1.00 0.00 H new ATOM 0 HA LYS B 7 -28.028 -6.182 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -29.830 -4.368 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -28.265 -4.848 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -29.624 -6.488 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -29.051 -7.290 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -31.416 -7.734 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -31.179 -6.747 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -33.138 -5.987 -6.039 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -31.915 -4.735 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -32.877 -4.978 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -31.201 -5.250 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -32.275 -6.562 -8.259 1.00 0.00 H new ATOM 928 N LYS B 8 -26.327 -4.228 -4.704 1.00 0.00 N ATOM 929 CA LYS B 8 -25.219 -3.287 -4.612 1.00 0.00 C ATOM 930 C LYS B 8 -24.750 -2.892 -6.011 1.00 0.00 C ATOM 931 O LYS B 8 -25.342 -3.315 -7.009 1.00 0.00 O ATOM 932 CB LYS B 8 -24.123 -3.875 -3.702 1.00 0.00 C ATOM 933 CG LYS B 8 -23.511 -5.185 -4.217 1.00 0.00 C ATOM 934 CD LYS B 8 -22.606 -5.796 -3.143 1.00 0.00 C ATOM 935 CE LYS B 8 -21.867 -7.029 -3.671 1.00 0.00 C ATOM 936 NZ LYS B 8 -22.778 -8.144 -3.983 1.00 0.00 N ATOM 0 H LYS B 8 -26.121 -5.020 -5.313 1.00 0.00 H new ATOM 0 HA LYS B 8 -25.531 -2.355 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -23.329 -3.137 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -24.544 -4.049 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -24.302 -5.887 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -22.937 -4.996 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -21.883 -5.052 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -23.204 -6.072 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -21.310 -6.758 -4.568 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -21.138 -7.357 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -22.225 -8.964 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -23.316 -8.401 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -23.436 -7.855 -4.734 1.00 0.00 H new ATOM 950 N SER B 9 -23.702 -2.073 -6.093 1.00 0.00 N ATOM 951 CA SER B 9 -23.124 -1.591 -7.337 1.00 0.00 C ATOM 952 C SER B 9 -21.669 -2.041 -7.401 1.00 0.00 C ATOM 953 O SER B 9 -20.754 -1.334 -6.986 1.00 0.00 O ATOM 954 CB SER B 9 -23.317 -0.074 -7.485 1.00 0.00 C ATOM 955 OG SER B 9 -23.132 0.659 -6.286 1.00 0.00 O ATOM 0 H SER B 9 -23.220 -1.718 -5.267 1.00 0.00 H new ATOM 0 HA SER B 9 -23.640 -2.022 -8.195 1.00 0.00 H new ATOM 0 HB2 SER B 9 -22.619 0.297 -8.235 1.00 0.00 H new ATOM 0 HB3 SER B 9 -24.322 0.117 -7.862 1.00 0.00 H new ATOM 0 HG SER B 9 -23.270 1.613 -6.461 1.00 0.00 H new ATOM 961 N GLU B 10 -21.453 -3.257 -7.890 1.00 0.00 N ATOM 962 CA GLU B 10 -20.134 -3.863 -8.025 1.00 0.00 C ATOM 963 C GLU B 10 -19.268 -3.242 -9.118 1.00 0.00 C ATOM 964 O GLU B 10 -18.063 -3.501 -9.186 1.00 0.00 O ATOM 965 CB GLU B 10 -20.254 -5.386 -8.212 1.00 0.00 C ATOM 966 CG GLU B 10 -21.029 -5.823 -9.465 1.00 0.00 C ATOM 967 CD GLU B 10 -22.540 -5.849 -9.226 1.00 0.00 C ATOM 968 OE1 GLU B 10 -23.195 -4.791 -9.347 1.00 0.00 O ATOM 969 OE2 GLU B 10 -23.064 -6.931 -8.877 1.00 0.00 O ATOM 0 H GLU B 10 -22.208 -3.863 -8.211 1.00 0.00 H new ATOM 0 HA GLU B 10 -19.613 -3.654 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -19.252 -5.813 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -20.743 -5.808 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -20.804 -5.142 -10.286 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -20.694 -6.814 -9.771 1.00 0.00 H new ATOM 976 N VAL B 11 -19.893 -2.439 -9.964 1.00 0.00 N ATOM 977 CA VAL B 11 -19.245 -1.750 -11.069 1.00 0.00 C ATOM 978 C VAL B 11 -18.496 -0.540 -10.517 1.00 0.00 C ATOM 979 O VAL B 11 -17.304 -0.411 -10.796 1.00 0.00 O ATOM 980 CB VAL B 11 -20.242 -1.366 -12.182 1.00 0.00 C ATOM 981 CG1 VAL B 11 -19.525 -0.776 -13.403 1.00 0.00 C ATOM 982 CG2 VAL B 11 -21.053 -2.588 -12.647 1.00 0.00 C ATOM 0 H VAL B 11 -20.892 -2.243 -9.900 1.00 0.00 H new ATOM 0 HA VAL B 11 -18.532 -2.424 -11.544 1.00 0.00 H new ATOM 0 HB VAL B 11 -20.909 -0.618 -11.754 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -20.259 -0.517 -14.166 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -18.979 0.120 -13.107 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -18.827 -1.510 -13.805 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -21.747 -2.287 -13.432 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -20.375 -3.349 -13.035 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -21.612 -2.996 -11.805 1.00 0.00 H new ATOM 992 N ARG B 12 -19.161 0.335 -9.745 1.00 0.00 N ATOM 993 CA ARG B 12 -18.502 1.517 -9.195 1.00 0.00 C ATOM 994 C ARG B 12 -17.330 1.074 -8.325 1.00 0.00 C ATOM 995 O ARG B 12 -17.426 0.111 -7.562 1.00 0.00 O ATOM 996 CB ARG B 12 -19.477 2.408 -8.401 1.00 0.00 C ATOM 997 CG ARG B 12 -18.889 3.819 -8.192 1.00 0.00 C ATOM 998 CD ARG B 12 -19.477 4.582 -7.009 1.00 0.00 C ATOM 999 NE ARG B 12 -20.860 5.006 -7.236 1.00 0.00 N ATOM 1000 CZ ARG B 12 -21.560 5.795 -6.416 1.00 0.00 C ATOM 1001 NH1 ARG B 12 -21.014 6.216 -5.281 1.00 0.00 N ATOM 1002 NH2 ARG B 12 -22.799 6.137 -6.751 1.00 0.00 N ATOM 0 H ARG B 12 -20.145 0.243 -9.493 1.00 0.00 H new ATOM 0 HA ARG B 12 -18.134 2.125 -10.022 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -20.425 2.480 -8.933 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -19.688 1.951 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -17.811 3.732 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -19.047 4.403 -9.099 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -19.436 3.952 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -18.862 5.459 -6.807 1.00 0.00 H new ATOM 0 HE ARG B 12 -21.323 4.675 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -20.064 5.937 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -21.545 6.819 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -23.203 5.798 -7.624 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -23.346 6.739 -6.135 1.00 0.00 H new ATOM 1016 N GLN B 13 -16.217 1.788 -8.441 1.00 0.00 N ATOM 1017 CA GLN B 13 -14.988 1.549 -7.705 1.00 0.00 C ATOM 1018 C GLN B 13 -15.109 1.974 -6.235 1.00 0.00 C ATOM 1019 O GLN B 13 -14.508 2.950 -5.798 1.00 0.00 O ATOM 1020 CB GLN B 13 -13.812 2.228 -8.435 1.00 0.00 C ATOM 1021 CG GLN B 13 -14.062 3.718 -8.758 1.00 0.00 C ATOM 1022 CD GLN B 13 -12.817 4.379 -9.327 1.00 0.00 C ATOM 1023 OE1 GLN B 13 -11.745 4.331 -8.730 1.00 0.00 O ATOM 1024 NE2 GLN B 13 -12.933 5.015 -10.482 1.00 0.00 N ATOM 0 H GLN B 13 -16.146 2.582 -9.078 1.00 0.00 H new ATOM 0 HA GLN B 13 -14.791 0.477 -7.678 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -12.916 2.144 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -13.613 1.692 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -14.881 3.805 -9.473 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -14.372 4.241 -7.853 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -13.833 5.042 -10.961 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -12.122 5.478 -10.893 1.00 0.00 H new ATOM 1033 N LYS B 14 -15.879 1.217 -5.453 1.00 0.00 N ATOM 1034 CA LYS B 14 -16.075 1.469 -4.023 1.00 0.00 C ATOM 1035 C LYS B 14 -14.736 1.430 -3.271 1.00 0.00 C ATOM 1036 O LYS B 14 -14.566 2.094 -2.259 1.00 0.00 O ATOM 1037 CB LYS B 14 -17.067 0.433 -3.476 1.00 0.00 C ATOM 1038 CG LYS B 14 -16.541 -1.011 -3.562 1.00 0.00 C ATOM 1039 CD LYS B 14 -17.641 -2.038 -3.307 1.00 0.00 C ATOM 1040 CE LYS B 14 -17.055 -3.383 -2.850 1.00 0.00 C ATOM 1041 NZ LYS B 14 -16.299 -4.090 -3.905 1.00 0.00 N ATOM 0 H LYS B 14 -16.390 0.404 -5.797 1.00 0.00 H new ATOM 0 HA LYS B 14 -16.486 2.467 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -17.294 0.669 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -18.002 0.506 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -16.108 -1.181 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -15.741 -1.149 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -18.325 -1.660 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -18.224 -2.183 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -16.398 -3.212 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -17.866 -4.024 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -15.933 -4.987 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -16.927 -4.284 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -15.505 -3.497 -4.219 1.00 0.00 H new ATOM 1055 N THR B 15 -13.806 0.614 -3.758 1.00 0.00 N ATOM 1056 CA THR B 15 -12.474 0.420 -3.238 1.00 0.00 C ATOM 1057 C THR B 15 -11.608 1.666 -3.483 1.00 0.00 C ATOM 1058 O THR B 15 -12.061 2.770 -3.796 1.00 0.00 O ATOM 1059 CB THR B 15 -11.939 -0.866 -3.922 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.819 -1.438 -3.285 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.586 -0.695 -5.404 1.00 0.00 C ATOM 0 H THR B 15 -13.984 0.037 -4.580 1.00 0.00 H new ATOM 0 HA THR B 15 -12.457 0.289 -2.156 1.00 0.00 H new ATOM 0 HB THR B 15 -12.793 -1.537 -3.829 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.946 -1.412 -2.314 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.221 -1.641 -5.803 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.474 -0.387 -5.956 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.812 0.066 -5.508 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.322 1.467 -3.268 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.210 2.374 -3.421 1.00 0.00 C ATOM 1071 C VAL B 16 -8.233 1.549 -4.242 1.00 0.00 C ATOM 1072 O VAL B 16 -8.169 0.326 -4.118 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.617 2.815 -2.063 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -8.665 1.700 -1.038 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -7.166 3.321 -2.136 1.00 0.00 C ATOM 0 H VAL B 16 -9.998 0.556 -2.943 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.483 3.318 -3.894 1.00 0.00 H new ATOM 0 HB VAL B 16 -9.252 3.648 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.239 2.051 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.700 1.398 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.091 0.847 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.831 3.609 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -6.523 2.529 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -7.115 4.184 -2.800 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.458 2.218 -5.066 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.457 1.644 -5.920 1.00 0.00 C ATOM 1087 C VAL B 17 -5.369 2.698 -5.994 1.00 0.00 C ATOM 1088 O VAL B 17 -5.480 3.709 -6.691 1.00 0.00 O ATOM 1089 CB VAL B 17 -7.100 1.210 -7.238 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.745 2.346 -8.020 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -6.063 0.495 -8.104 1.00 0.00 C ATOM 0 H VAL B 17 -7.517 3.232 -5.159 1.00 0.00 H new ATOM 0 HA VAL B 17 -6.001 0.721 -5.561 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.913 0.533 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.177 1.954 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.529 2.804 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.991 3.094 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.523 0.187 -9.043 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.234 1.171 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.692 -0.383 -7.576 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.339 2.499 -5.188 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.221 3.432 -5.132 1.00 0.00 C ATOM 1103 C ARG B 18 -1.900 2.691 -5.048 1.00 0.00 C ATOM 1104 O ARG B 18 -1.850 1.562 -4.552 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.407 4.407 -3.956 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.683 5.734 -4.229 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.693 6.626 -2.994 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.081 7.930 -3.298 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.688 9.118 -3.389 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -3.957 9.279 -3.013 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -2.026 10.154 -3.892 1.00 0.00 N ATOM 0 H ARG B 18 -4.252 1.699 -4.562 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.201 4.015 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.469 4.593 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.021 3.958 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.654 5.536 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.164 6.251 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.717 6.769 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.149 6.142 -2.183 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.074 7.927 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -4.485 8.487 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.400 10.195 -3.091 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -1.062 10.040 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.482 11.064 -3.965 1.00 0.00 H new ATOM 1125 N THR B 19 -0.850 3.328 -5.548 1.00 0.00 N ATOM 1126 CA THR B 19 0.509 2.815 -5.575 1.00 0.00 C ATOM 1127 C THR B 19 1.221 3.284 -4.308 1.00 0.00 C ATOM 1128 O THR B 19 1.109 4.459 -3.945 1.00 0.00 O ATOM 1129 CB THR B 19 1.214 3.347 -6.837 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.387 3.121 -7.962 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.569 2.689 -7.115 1.00 0.00 C ATOM 0 H THR B 19 -0.928 4.256 -5.963 1.00 0.00 H new ATOM 0 HA THR B 19 0.521 1.726 -5.606 1.00 0.00 H new ATOM 0 HB THR B 19 1.393 4.407 -6.658 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.831 3.460 -8.768 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.002 3.116 -8.019 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.239 2.865 -6.273 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.432 1.616 -7.251 1.00 0.00 H new ATOM 1139 N LEU B 20 1.969 2.400 -3.644 1.00 0.00 N ATOM 1140 CA LEU B 20 2.713 2.722 -2.437 1.00 0.00 C ATOM 1141 C LEU B 20 4.074 2.044 -2.503 1.00 0.00 C ATOM 1142 O LEU B 20 4.149 0.857 -2.842 1.00 0.00 O ATOM 1143 CB LEU B 20 1.957 2.234 -1.189 1.00 0.00 C ATOM 1144 CG LEU B 20 1.945 3.318 -0.098 1.00 0.00 C ATOM 1145 CD1 LEU B 20 0.670 4.154 -0.210 1.00 0.00 C ATOM 1146 CD2 LEU B 20 2.014 2.680 1.279 1.00 0.00 C ATOM 0 H LEU B 20 2.072 1.429 -3.938 1.00 0.00 H new ATOM 0 HA LEU B 20 2.833 3.803 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.934 1.971 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.428 1.329 -0.804 1.00 0.00 H new ATOM 0 HG LEU B 20 2.814 3.961 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU B 20 0.668 4.920 0.566 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.632 4.630 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.200 3.509 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.005 3.459 2.042 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.155 2.024 1.420 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.932 2.099 1.365 1.00 0.00 H new ATOM 1158 N ARG B 21 5.134 2.780 -2.161 1.00 0.00 N ATOM 1159 CA ARG B 21 6.501 2.296 -2.152 1.00 0.00 C ATOM 1160 C ARG B 21 7.066 2.301 -0.741 1.00 0.00 C ATOM 1161 O ARG B 21 6.574 3.037 0.119 1.00 0.00 O ATOM 1162 CB ARG B 21 7.340 3.185 -3.067 1.00 0.00 C ATOM 1163 CG ARG B 21 6.795 3.142 -4.497 1.00 0.00 C ATOM 1164 CD ARG B 21 7.780 3.790 -5.455 1.00 0.00 C ATOM 1165 NE ARG B 21 7.552 5.231 -5.641 1.00 0.00 N ATOM 1166 CZ ARG B 21 6.666 5.790 -6.471 1.00 0.00 C ATOM 1167 NH1 ARG B 21 5.746 5.034 -7.059 1.00 0.00 N ATOM 1168 NH2 ARG B 21 6.704 7.096 -6.709 1.00 0.00 N ATOM 0 H ARG B 21 5.054 3.756 -1.876 1.00 0.00 H new ATOM 0 HA ARG B 21 6.525 1.268 -2.513 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.330 4.210 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.378 2.852 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG B 21 6.614 2.109 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.837 3.660 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.793 3.635 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.716 3.292 -6.422 1.00 0.00 H new ATOM 0 HE ARG B 21 8.125 5.864 -5.083 1.00 0.00 H new ATOM 0 HH11 ARG B 21 5.717 4.031 -6.876 1.00 0.00 H new ATOM 0 HH12 ARG B 21 5.068 5.456 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG B 21 7.411 7.676 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG B 21 6.026 7.519 -7.343 1.00 0.00 H new ATOM 1182 N PHE B 22 8.109 1.506 -0.526 1.00 0.00 N ATOM 1183 CA PHE B 22 8.806 1.354 0.743 1.00 0.00 C ATOM 1184 C PHE B 22 10.287 1.129 0.449 1.00 0.00 C ATOM 1185 O PHE B 22 10.635 0.674 -0.648 1.00 0.00 O ATOM 1186 CB PHE B 22 8.244 0.149 1.521 1.00 0.00 C ATOM 1187 CG PHE B 22 6.737 0.072 1.676 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.892 -0.528 0.712 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.181 0.583 2.856 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.495 -0.535 0.920 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.808 0.478 3.112 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.959 -0.063 2.134 1.00 0.00 C ATOM 0 H PHE B 22 8.508 0.926 -1.264 1.00 0.00 H new ATOM 0 HA PHE B 22 8.669 2.249 1.350 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.581 -0.761 1.025 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.687 0.152 2.517 1.00 0.00 H new ATOM 0 HD1 PHE B 22 6.312 -0.977 -0.176 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.821 1.066 3.580 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.837 -0.903 0.147 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.405 0.811 4.057 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.895 -0.117 2.312 1.00 0.00 H new ATOM 1202 N SER B 23 11.171 1.475 1.381 1.00 0.00 N ATOM 1203 CA SER B 23 12.612 1.289 1.234 1.00 0.00 C ATOM 1204 C SER B 23 12.914 -0.218 1.239 1.00 0.00 C ATOM 1205 O SER B 23 12.048 -0.991 1.645 1.00 0.00 O ATOM 1206 CB SER B 23 13.296 1.950 2.446 1.00 0.00 C ATOM 1207 OG SER B 23 12.879 3.286 2.655 1.00 0.00 O ATOM 0 H SER B 23 10.904 1.897 2.270 1.00 0.00 H new ATOM 0 HA SER B 23 12.973 1.731 0.305 1.00 0.00 H new ATOM 0 HB2 SER B 23 13.083 1.365 3.340 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.376 1.931 2.302 1.00 0.00 H new ATOM 0 HG SER B 23 12.103 3.297 3.254 1.00 0.00 H new ATOM 1213 N PRO B 24 14.131 -0.668 0.879 1.00 0.00 N ATOM 1214 CA PRO B 24 14.431 -2.094 0.894 1.00 0.00 C ATOM 1215 C PRO B 24 14.325 -2.619 2.328 1.00 0.00 C ATOM 1216 O PRO B 24 13.712 -3.650 2.551 1.00 0.00 O ATOM 1217 CB PRO B 24 15.822 -2.247 0.272 1.00 0.00 C ATOM 1218 CG PRO B 24 16.459 -0.872 0.473 1.00 0.00 C ATOM 1219 CD PRO B 24 15.270 0.087 0.384 1.00 0.00 C ATOM 0 HA PRO B 24 13.726 -2.690 0.315 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.397 -3.031 0.764 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.762 -2.511 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.962 -0.800 1.437 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.205 -0.659 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.440 0.981 0.984 1.00 0.00 H new ATOM 0 HD3 PRO B 24 15.107 0.418 -0.642 1.00 0.00 H new ATOM 1227 N VAL B 25 14.836 -1.872 3.313 1.00 0.00 N ATOM 1228 CA VAL B 25 14.783 -2.242 4.723 1.00 0.00 C ATOM 1229 C VAL B 25 13.318 -2.457 5.147 1.00 0.00 C ATOM 1230 O VAL B 25 13.012 -3.406 5.866 1.00 0.00 O ATOM 1231 CB VAL B 25 15.461 -1.133 5.563 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.430 -1.441 7.068 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.926 -0.877 5.167 1.00 0.00 C ATOM 0 H VAL B 25 15.304 -0.981 3.146 1.00 0.00 H new ATOM 0 HA VAL B 25 15.319 -3.176 4.890 1.00 0.00 H new ATOM 0 HB VAL B 25 14.874 -0.240 5.350 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.918 -0.634 7.615 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.396 -1.531 7.400 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.955 -2.377 7.259 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.340 -0.088 5.795 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.505 -1.791 5.303 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.972 -0.571 4.122 1.00 0.00 H new ATOM 1243 N GLU B 26 12.424 -1.551 4.743 1.00 0.00 N ATOM 1244 CA GLU B 26 11.005 -1.601 5.058 1.00 0.00 C ATOM 1245 C GLU B 26 10.352 -2.806 4.383 1.00 0.00 C ATOM 1246 O GLU B 26 9.693 -3.590 5.058 1.00 0.00 O ATOM 1247 CB GLU B 26 10.322 -0.306 4.596 1.00 0.00 C ATOM 1248 CG GLU B 26 10.743 0.960 5.349 1.00 0.00 C ATOM 1249 CD GLU B 26 10.031 2.202 4.791 1.00 0.00 C ATOM 1250 OE1 GLU B 26 10.520 2.767 3.778 1.00 0.00 O ATOM 1251 OE2 GLU B 26 8.997 2.616 5.363 1.00 0.00 O ATOM 0 H GLU B 26 12.679 -0.744 4.174 1.00 0.00 H new ATOM 0 HA GLU B 26 10.889 -1.701 6.137 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.529 -0.164 3.535 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.243 -0.427 4.697 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.511 0.850 6.408 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.822 1.091 5.271 1.00 0.00 H new ATOM 1258 N ASP B 27 10.539 -2.962 3.070 1.00 0.00 N ATOM 1259 CA ASP B 27 9.963 -4.055 2.295 1.00 0.00 C ATOM 1260 C ASP B 27 10.436 -5.405 2.802 1.00 0.00 C ATOM 1261 O ASP B 27 9.652 -6.343 2.849 1.00 0.00 O ATOM 1262 CB ASP B 27 10.322 -3.927 0.817 1.00 0.00 C ATOM 1263 CG ASP B 27 9.622 -5.013 -0.005 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.383 -5.153 0.069 1.00 0.00 O ATOM 1265 OD2 ASP B 27 10.303 -5.720 -0.783 1.00 0.00 O ATOM 0 H ASP B 27 11.103 -2.322 2.511 1.00 0.00 H new ATOM 0 HA ASP B 27 8.881 -3.990 2.413 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.031 -2.942 0.451 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.402 -4.008 0.691 1.00 0.00 H new ATOM 1270 N GLU B 28 11.708 -5.520 3.171 1.00 0.00 N ATOM 1271 CA GLU B 28 12.303 -6.733 3.705 1.00 0.00 C ATOM 1272 C GLU B 28 11.615 -7.040 5.027 1.00 0.00 C ATOM 1273 O GLU B 28 11.147 -8.158 5.211 1.00 0.00 O ATOM 1274 CB GLU B 28 13.814 -6.553 3.901 1.00 0.00 C ATOM 1275 CG GLU B 28 14.555 -6.654 2.560 1.00 0.00 C ATOM 1276 CD GLU B 28 16.026 -6.241 2.642 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.443 -5.432 3.503 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.831 -6.760 1.834 1.00 0.00 O ATOM 0 H GLU B 28 12.370 -4.747 3.103 1.00 0.00 H new ATOM 0 HA GLU B 28 12.167 -7.562 3.010 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.013 -5.584 4.359 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.189 -7.313 4.587 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.494 -7.680 2.197 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.050 -6.025 1.827 1.00 0.00 H new ATOM 1285 N THR B 29 11.533 -6.058 5.929 1.00 0.00 N ATOM 1286 CA THR B 29 10.894 -6.220 7.226 1.00 0.00 C ATOM 1287 C THR B 29 9.462 -6.720 7.020 1.00 0.00 C ATOM 1288 O THR B 29 9.119 -7.802 7.489 1.00 0.00 O ATOM 1289 CB THR B 29 10.952 -4.894 8.011 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.296 -4.492 8.196 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.298 -5.003 9.392 1.00 0.00 C ATOM 0 H THR B 29 11.913 -5.124 5.773 1.00 0.00 H new ATOM 0 HA THR B 29 11.423 -6.963 7.822 1.00 0.00 H new ATOM 0 HB THR B 29 10.403 -4.162 7.419 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.611 -4.024 7.394 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.366 -4.043 9.903 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.250 -5.280 9.277 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.812 -5.764 9.979 1.00 0.00 H new ATOM 1299 N ILE B 30 8.642 -5.961 6.291 1.00 0.00 N ATOM 1300 CA ILE B 30 7.252 -6.287 6.016 1.00 0.00 C ATOM 1301 C ILE B 30 7.152 -7.680 5.381 1.00 0.00 C ATOM 1302 O ILE B 30 6.319 -8.477 5.803 1.00 0.00 O ATOM 1303 CB ILE B 30 6.615 -5.158 5.167 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.496 -3.852 5.996 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.231 -5.601 4.654 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.181 -2.585 5.180 1.00 0.00 C ATOM 0 H ILE B 30 8.939 -5.082 5.867 1.00 0.00 H new ATOM 0 HA ILE B 30 6.678 -6.341 6.941 1.00 0.00 H new ATOM 0 HB ILE B 30 7.259 -4.959 4.311 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.716 -3.986 6.745 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.431 -3.695 6.534 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.791 -4.801 4.058 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.340 -6.494 4.039 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.582 -5.821 5.502 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.118 -1.727 5.850 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.972 -2.417 4.449 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.230 -2.712 4.663 1.00 0.00 H new ATOM 1318 N ARG B 31 7.973 -7.996 4.375 1.00 0.00 N ATOM 1319 CA ARG B 31 7.949 -9.295 3.704 1.00 0.00 C ATOM 1320 C ARG B 31 8.208 -10.414 4.699 1.00 0.00 C ATOM 1321 O ARG B 31 7.493 -11.415 4.672 1.00 0.00 O ATOM 1322 CB ARG B 31 8.984 -9.323 2.564 1.00 0.00 C ATOM 1323 CG ARG B 31 9.158 -10.717 1.945 1.00 0.00 C ATOM 1324 CD ARG B 31 10.283 -10.762 0.911 1.00 0.00 C ATOM 1325 NE ARG B 31 10.617 -12.169 0.647 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.442 -12.701 -0.255 1.00 0.00 C ATOM 1327 NH1 ARG B 31 12.181 -11.971 -1.076 1.00 0.00 N ATOM 1328 NH2 ARG B 31 11.508 -14.019 -0.331 1.00 0.00 N ATOM 0 H ARG B 31 8.674 -7.355 4.004 1.00 0.00 H new ATOM 0 HA ARG B 31 6.959 -9.449 3.274 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.679 -8.622 1.787 1.00 0.00 H new ATOM 0 HB3 ARG B 31 9.945 -8.978 2.945 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.366 -11.438 2.735 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.223 -11.021 1.474 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.972 -10.267 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.158 -10.228 1.280 1.00 0.00 H new ATOM 0 HE ARG B 31 10.144 -12.844 1.248 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.134 -10.953 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG B 31 12.797 -12.427 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG B 31 10.938 -14.595 0.289 1.00 0.00 H new ATOM 0 HH22 ARG B 31 12.129 -14.460 -1.010 1.00 0.00 H new ATOM 1342 N LYS B 32 9.251 -10.277 5.518 1.00 0.00 N ATOM 1343 CA LYS B 32 9.599 -11.293 6.496 1.00 0.00 C ATOM 1344 C LYS B 32 8.462 -11.469 7.484 1.00 0.00 C ATOM 1345 O LYS B 32 8.073 -12.599 7.730 1.00 0.00 O ATOM 1346 CB LYS B 32 10.911 -10.968 7.236 1.00 0.00 C ATOM 1347 CG LYS B 32 12.152 -11.574 6.561 1.00 0.00 C ATOM 1348 CD LYS B 32 12.628 -10.807 5.325 1.00 0.00 C ATOM 1349 CE LYS B 32 13.835 -11.510 4.703 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.555 -10.641 3.751 1.00 0.00 N ATOM 0 H LYS B 32 9.869 -9.466 5.519 1.00 0.00 H new ATOM 0 HA LYS B 32 9.761 -12.227 5.957 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.029 -9.886 7.295 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.845 -11.338 8.259 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.965 -11.613 7.287 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.931 -12.602 6.275 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.821 -10.740 4.596 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.894 -9.787 5.601 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.517 -11.825 5.493 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.503 -12.413 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.365 -11.158 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.913 -10.361 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.895 -9.791 4.245 1.00 0.00 H new ATOM 1364 N LYS B 33 7.936 -10.385 8.053 1.00 0.00 N ATOM 1365 CA LYS B 33 6.861 -10.413 9.038 1.00 0.00 C ATOM 1366 C LYS B 33 5.660 -11.136 8.459 1.00 0.00 C ATOM 1367 O LYS B 33 5.129 -12.040 9.102 1.00 0.00 O ATOM 1368 CB LYS B 33 6.467 -8.991 9.458 1.00 0.00 C ATOM 1369 CG LYS B 33 7.548 -8.169 10.170 1.00 0.00 C ATOM 1370 CD LYS B 33 7.631 -8.408 11.680 1.00 0.00 C ATOM 1371 CE LYS B 33 8.580 -7.358 12.271 1.00 0.00 C ATOM 1372 NZ LYS B 33 7.914 -6.053 12.468 1.00 0.00 N ATOM 0 H LYS B 33 8.255 -9.441 7.835 1.00 0.00 H new ATOM 0 HA LYS B 33 7.213 -10.943 9.923 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.153 -8.446 8.568 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.599 -9.056 10.114 1.00 0.00 H new ATOM 0 HG2 LYS B 33 8.515 -8.400 9.724 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.359 -7.110 9.992 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.643 -8.328 12.134 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.997 -9.413 11.888 1.00 0.00 H new ATOM 0 HE2 LYS B 33 8.965 -7.715 13.226 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.437 -7.231 11.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.541 -5.421 13.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.704 -5.627 11.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.028 -6.192 12.994 1.00 0.00 H new ATOM 1386 N ALA B 34 5.268 -10.735 7.251 1.00 0.00 N ATOM 1387 CA ALA B 34 4.155 -11.272 6.500 1.00 0.00 C ATOM 1388 C ALA B 34 4.313 -12.780 6.314 1.00 0.00 C ATOM 1389 O ALA B 34 3.459 -13.555 6.759 1.00 0.00 O ATOM 1390 CB ALA B 34 4.061 -10.500 5.175 1.00 0.00 C ATOM 0 H ALA B 34 5.749 -9.987 6.751 1.00 0.00 H new ATOM 0 HA ALA B 34 3.216 -11.141 7.038 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.228 -10.886 4.588 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.901 -9.442 5.381 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.988 -10.624 4.615 1.00 0.00 H new ATOM 1396 N GLU B 35 5.418 -13.196 5.690 1.00 0.00 N ATOM 1397 CA GLU B 35 5.650 -14.618 5.415 1.00 0.00 C ATOM 1398 C GLU B 35 5.875 -15.459 6.678 1.00 0.00 C ATOM 1399 O GLU B 35 5.664 -16.672 6.660 1.00 0.00 O ATOM 1400 CB GLU B 35 6.753 -14.796 4.352 1.00 0.00 C ATOM 1401 CG GLU B 35 6.531 -16.102 3.549 1.00 0.00 C ATOM 1402 CD GLU B 35 7.332 -16.128 2.248 1.00 0.00 C ATOM 1403 OE1 GLU B 35 7.208 -15.160 1.459 1.00 0.00 O ATOM 1404 OE2 GLU B 35 8.151 -17.045 1.997 1.00 0.00 O ATOM 0 H GLU B 35 6.161 -12.575 5.368 1.00 0.00 H new ATOM 0 HA GLU B 35 4.728 -15.019 4.994 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.754 -13.942 3.675 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.730 -14.821 4.835 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.814 -16.956 4.164 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.470 -16.210 3.322 1.00 0.00 H new ATOM 1411 N ASP B 36 6.246 -14.832 7.791 1.00 0.00 N ATOM 1412 CA ASP B 36 6.487 -15.450 9.099 1.00 0.00 C ATOM 1413 C ASP B 36 5.209 -15.432 9.952 1.00 0.00 C ATOM 1414 O ASP B 36 5.218 -15.855 11.106 1.00 0.00 O ATOM 1415 CB ASP B 36 7.620 -14.678 9.777 1.00 0.00 C ATOM 1416 CG ASP B 36 7.987 -15.139 11.179 1.00 0.00 C ATOM 1417 OD1 ASP B 36 8.516 -16.264 11.336 1.00 0.00 O ATOM 1418 OD2 ASP B 36 7.950 -14.274 12.088 1.00 0.00 O ATOM 0 H ASP B 36 6.396 -13.823 7.809 1.00 0.00 H new ATOM 0 HA ASP B 36 6.772 -16.495 8.980 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.508 -14.746 9.148 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.341 -13.625 9.822 1.00 0.00 H new ATOM 1423 N SER B 37 4.098 -14.941 9.393 1.00 0.00 N ATOM 1424 CA SER B 37 2.795 -14.838 10.036 1.00 0.00 C ATOM 1425 C SER B 37 1.725 -15.591 9.235 1.00 0.00 C ATOM 1426 O SER B 37 0.596 -15.706 9.721 1.00 0.00 O ATOM 1427 CB SER B 37 2.463 -13.345 10.181 1.00 0.00 C ATOM 1428 OG SER B 37 1.314 -13.097 10.974 1.00 0.00 O ATOM 0 H SER B 37 4.088 -14.590 8.435 1.00 0.00 H new ATOM 0 HA SER B 37 2.817 -15.303 11.022 1.00 0.00 H new ATOM 0 HB2 SER B 37 3.317 -12.832 10.622 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.311 -12.917 9.190 1.00 0.00 H new ATOM 0 HG SER B 37 0.668 -13.823 10.849 1.00 0.00 H new ATOM 1434 N GLY B 38 2.054 -16.109 8.044 1.00 0.00 N ATOM 1435 CA GLY B 38 1.122 -16.835 7.186 1.00 0.00 C ATOM 1436 C GLY B 38 0.141 -15.864 6.534 1.00 0.00 C ATOM 1437 O GLY B 38 -1.023 -16.215 6.318 1.00 0.00 O ATOM 0 H GLY B 38 2.991 -16.031 7.648 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.672 -17.379 6.418 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.577 -17.575 7.772 1.00 0.00 H new ATOM 1441 N LEU B 39 0.578 -14.627 6.264 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.203 -13.559 5.680 1.00 0.00 C ATOM 1443 C LEU B 39 0.550 -12.996 4.491 1.00 0.00 C ATOM 1444 O LEU B 39 1.736 -12.700 4.606 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.356 -12.413 6.703 1.00 0.00 C ATOM 1446 CG LEU B 39 -0.922 -12.780 8.084 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -0.879 -11.542 8.984 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.345 -13.327 7.996 1.00 0.00 C ATOM 0 H LEU B 39 1.537 -14.342 6.462 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.178 -13.949 5.387 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.623 -11.956 6.849 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.001 -11.651 6.264 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.306 -13.573 8.508 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -1.279 -11.792 9.967 1.00 0.00 H new ATOM 0 HD12 LEU B 39 0.152 -11.203 9.087 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -1.479 -10.748 8.540 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -2.703 -13.572 8.996 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -2.997 -12.575 7.552 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.352 -14.225 7.378 1.00 0.00 H new ATOM 1460 N THR B 40 -0.089 -12.866 3.333 1.00 0.00 N ATOM 1461 CA THR B 40 0.597 -12.258 2.199 1.00 0.00 C ATOM 1462 C THR B 40 0.810 -10.792 2.623 1.00 0.00 C ATOM 1463 O THR B 40 0.007 -10.240 3.382 1.00 0.00 O ATOM 1464 CB THR B 40 -0.243 -12.396 0.908 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.280 -11.605 -0.150 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.701 -11.964 1.108 1.00 0.00 C ATOM 0 H THR B 40 -1.049 -13.162 3.157 1.00 0.00 H new ATOM 0 HA THR B 40 1.545 -12.740 1.963 1.00 0.00 H new ATOM 0 HB THR B 40 -0.198 -13.456 0.656 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.275 -11.719 -0.949 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.247 -12.080 0.172 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.162 -12.584 1.876 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.732 -10.920 1.418 1.00 0.00 H new ATOM 1474 N VAL B 41 1.844 -10.128 2.109 1.00 0.00 N ATOM 1475 CA VAL B 41 2.162 -8.734 2.402 1.00 0.00 C ATOM 1476 C VAL B 41 0.916 -7.847 2.287 1.00 0.00 C ATOM 1477 O VAL B 41 0.721 -6.986 3.138 1.00 0.00 O ATOM 1478 CB VAL B 41 3.310 -8.270 1.484 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.554 -6.758 1.564 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.610 -8.998 1.854 1.00 0.00 C ATOM 0 H VAL B 41 2.502 -10.558 1.459 1.00 0.00 H new ATOM 0 HA VAL B 41 2.500 -8.644 3.434 1.00 0.00 H new ATOM 0 HB VAL B 41 3.010 -8.512 0.464 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.373 -6.486 0.898 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.650 -6.227 1.264 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.813 -6.485 2.587 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.414 -8.662 1.199 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.869 -8.777 2.889 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.471 -10.073 1.737 1.00 0.00 H new ATOM 1490 N SER B 42 0.047 -8.041 1.290 1.00 0.00 N ATOM 1491 CA SER B 42 -1.151 -7.212 1.168 1.00 0.00 C ATOM 1492 C SER B 42 -2.064 -7.374 2.397 1.00 0.00 C ATOM 1493 O SER B 42 -2.588 -6.383 2.914 1.00 0.00 O ATOM 1494 CB SER B 42 -1.874 -7.528 -0.146 1.00 0.00 C ATOM 1495 OG SER B 42 -1.927 -8.920 -0.393 1.00 0.00 O ATOM 0 H SER B 42 0.149 -8.754 0.567 1.00 0.00 H new ATOM 0 HA SER B 42 -0.858 -6.163 1.139 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.887 -7.126 -0.110 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.363 -7.031 -0.971 1.00 0.00 H new ATOM 0 HG SER B 42 -2.396 -9.085 -1.238 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.271 -8.617 2.853 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.086 -8.932 4.018 1.00 0.00 C ATOM 1503 C ALA B 43 -2.418 -8.358 5.263 1.00 0.00 C ATOM 1504 O ALA B 43 -3.108 -7.841 6.134 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.283 -10.440 4.193 1.00 0.00 C ATOM 0 H ALA B 43 -1.866 -9.442 2.409 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.070 -8.488 3.870 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.897 -10.627 5.074 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.779 -10.847 3.312 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.313 -10.922 4.318 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.091 -8.459 5.355 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.313 -7.940 6.468 1.00 0.00 C ATOM 1513 C TYR B 44 -0.531 -6.423 6.536 1.00 0.00 C ATOM 1514 O TYR B 44 -0.959 -5.916 7.565 1.00 0.00 O ATOM 1515 CB TYR B 44 1.156 -8.340 6.291 1.00 0.00 C ATOM 1516 CG TYR B 44 2.072 -7.806 7.367 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.633 -6.524 7.224 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.349 -8.572 8.515 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.486 -6.011 8.214 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.181 -8.047 9.520 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.767 -6.768 9.372 1.00 0.00 C ATOM 1522 OH TYR B 44 4.626 -6.296 10.318 1.00 0.00 O ATOM 0 H TYR B 44 -0.521 -8.914 4.641 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.633 -8.362 7.421 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.226 -9.428 6.275 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.505 -7.984 5.322 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.407 -5.932 6.349 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.924 -9.559 8.624 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.929 -5.034 8.089 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.374 -8.625 10.412 1.00 0.00 H new ATOM 0 HH TYR B 44 4.802 -5.346 10.155 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.325 -5.706 5.423 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.488 -4.256 5.329 1.00 0.00 C ATOM 1534 C ILE B 45 -1.881 -3.839 5.794 1.00 0.00 C ATOM 1535 O ILE B 45 -2.004 -3.081 6.753 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.188 -3.751 3.890 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.308 -3.831 3.515 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.690 -2.310 3.661 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.218 -2.897 4.307 1.00 0.00 C ATOM 0 H ILE B 45 -0.033 -6.132 4.544 1.00 0.00 H new ATOM 0 HA ILE B 45 0.237 -3.786 5.993 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.737 -4.430 3.238 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.650 -4.856 3.659 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.415 -3.605 2.454 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.458 -2.001 2.642 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.768 -2.272 3.815 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.199 -1.638 4.364 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.248 -3.024 3.974 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.909 -1.864 4.145 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.148 -3.134 5.369 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.933 -4.299 5.109 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.306 -3.935 5.463 1.00 0.00 C ATOM 1553 C ARG B 46 -4.615 -4.251 6.923 1.00 0.00 C ATOM 1554 O ARG B 46 -5.149 -3.399 7.620 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.332 -4.546 4.478 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.549 -6.049 4.696 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.409 -6.753 3.649 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.801 -8.082 4.147 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.838 -8.842 3.774 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.658 -8.491 2.795 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -8.009 -10.010 4.384 1.00 0.00 N ATOM 0 H ARG B 46 -2.858 -4.924 4.306 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.398 -2.854 5.363 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.285 -4.027 4.586 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -4.991 -4.378 3.456 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.575 -6.537 4.727 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.009 -6.193 5.674 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.296 -6.158 3.432 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.855 -6.852 2.715 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.203 -8.476 4.873 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -8.510 -7.614 2.296 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -9.437 -9.098 2.540 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.360 -10.304 5.114 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.790 -10.612 4.123 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.265 -5.445 7.392 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.535 -5.854 8.755 1.00 0.00 C ATOM 1577 C ASN B 47 -3.836 -4.941 9.750 1.00 0.00 C ATOM 1578 O ASN B 47 -4.515 -4.395 10.615 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.145 -7.315 8.923 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.407 -7.788 10.334 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.552 -8.024 10.710 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.349 -7.974 11.085 1.00 0.00 N ATOM 0 H ASN B 47 -3.787 -6.152 6.833 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.601 -5.762 8.963 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.708 -7.928 8.220 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.089 -7.443 8.683 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.454 -8.332 12.034 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.421 -7.761 10.720 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.526 -4.730 9.593 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.727 -3.878 10.464 1.00 0.00 C ATOM 1591 C ALA B 48 -2.177 -2.416 10.409 1.00 0.00 C ATOM 1592 O ALA B 48 -1.983 -1.678 11.367 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.244 -3.983 10.075 1.00 0.00 C ATOM 0 H ALA B 48 -1.985 -5.157 8.841 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.868 -4.226 11.487 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.350 -3.344 10.729 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.087 -5.016 10.179 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.116 -3.663 9.041 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.752 -1.967 9.290 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.216 -0.595 9.128 1.00 0.00 C ATOM 1601 C ALA B 49 -4.547 -0.362 9.838 1.00 0.00 C ATOM 1602 O ALA B 49 -4.809 0.740 10.314 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.419 -0.297 7.641 1.00 0.00 C ATOM 0 H ALA B 49 -2.908 -2.552 8.469 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.460 0.059 9.563 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.766 0.729 7.520 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.475 -0.426 7.112 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.161 -0.982 7.231 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.416 -1.369 9.859 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.726 -1.269 10.485 1.00 0.00 C ATOM 1611 C LEU B 50 -6.623 -1.505 11.984 1.00 0.00 C ATOM 1612 O LEU B 50 -7.252 -0.784 12.761 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.679 -2.293 9.853 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.936 -2.048 8.353 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.520 -3.326 7.748 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.846 -0.848 8.087 1.00 0.00 C ATOM 0 H LEU B 50 -5.228 -2.280 9.440 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.117 -0.265 10.323 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.265 -3.293 9.984 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.630 -2.270 10.385 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.986 -1.802 7.879 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.709 -3.172 6.686 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.813 -4.145 7.876 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.455 -3.572 8.251 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.987 -0.730 7.013 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.812 -1.011 8.564 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.388 0.053 8.494 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.892 -2.547 12.380 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.681 -2.937 13.776 1.00 0.00 C ATOM 1630 C ASN B 51 -4.764 -1.960 14.469 1.00 0.00 C ATOM 1631 O ASN B 51 -5.264 -1.207 15.329 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.086 -4.346 13.909 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.138 -5.404 13.661 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -6.856 -5.827 14.571 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.317 -5.776 12.412 1.00 0.00 N ATOM 0 H ASN B 51 -5.416 -3.162 11.720 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.664 -2.933 14.246 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.268 -4.468 13.199 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.664 -4.474 14.906 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.064 -6.430 12.177 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.709 -5.411 11.679 1.00 0.00 H new TER 1642 ASN B 51