USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot -73:sc= 0.624 USER MOD Set 1.2: A 50 SER OG : rot -115:sc= 0.432 USER MOD Set 2.1: A 12 SER OG : rot 129:sc= 1.54 USER MOD Set 2.2: A 14 THR OG1 : rot -136:sc= 3.6 USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= 0.616 USER MOD Set 3.1: A 9 ASN : amide:sc= 0.352 K(o=-2.3,f=-1.2) USER MOD Set 3.2: A 41 ASN : amide:sc= -1.79 K(o=-2.3,f=-5.4!) USER MOD Set 3.3: A 71 ASN : amide:sc= -0.834 K(o=-2.3,f=-1.2) USER MOD Single : A 0 HIS : no HD1:sc=-0.00145 X(o=-0.0014,f=-0.0014) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00209 X(o=-0.0021,f=-0.013) USER MOD Single : A 3 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.33) USER MOD Single : A 4 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.012) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000558) USER MOD Single : A -2 MET CE :methyl 161:sc= -0.0402 (180deg=-0.626) USER MOD Single : A -2 MET N :NH3+ -140:sc= -0.28 (180deg=-0.513) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.466 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.48) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 36 THR OG1 : rot 146:sc= 2.11 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 27:sc= 0.191 USER MOD Single : A 49 ASN : amide:sc=-0.00748 K(o=-0.0075,f=-0.54) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= -0.678 (180deg=-0.691) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 66:sc= 1.25 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -10.018 -26.145 -8.813 1.00 54.25 N ATOM 2 CA MET A -2 -9.883 -25.865 -7.389 1.00 24.12 C ATOM 3 C MET A -2 -9.136 -24.555 -7.159 1.00 52.04 C ATOM 4 O MET A -2 -8.000 -24.391 -7.603 1.00 72.11 O ATOM 5 CB MET A -2 -9.150 -27.011 -6.688 1.00 25.32 C ATOM 6 CG MET A -2 -9.764 -28.377 -6.953 1.00 3.42 C ATOM 7 SD MET A -2 -11.450 -28.512 -6.327 1.00 45.21 S ATOM 8 CE MET A -2 -12.370 -28.645 -7.858 1.00 34.12 C ATOM 0 H1 MET A -2 -10.964 -26.534 -9.002 1.00 54.25 H new ATOM 0 H2 MET A -2 -9.890 -25.266 -9.353 1.00 54.25 H new ATOM 0 H3 MET A -2 -9.296 -26.836 -9.101 1.00 54.25 H new ATOM 0 HA MET A -2 -10.884 -25.771 -6.968 1.00 24.12 H new ATOM 0 HB2 MET A -2 -8.110 -27.020 -7.014 1.00 25.32 H new ATOM 0 HB3 MET A -2 -9.146 -26.826 -5.614 1.00 25.32 H new ATOM 0 HG2 MET A -2 -9.762 -28.570 -8.026 1.00 3.42 H new ATOM 0 HG3 MET A -2 -9.145 -29.146 -6.489 1.00 3.42 H new ATOM 0 HE1 MET A -2 -13.355 -29.065 -7.655 1.00 34.12 H new ATOM 0 HE2 MET A -2 -12.482 -27.656 -8.302 1.00 34.12 H new ATOM 0 HE3 MET A -2 -11.834 -29.295 -8.549 1.00 34.12 H new ATOM 18 N GLY A -1 -9.783 -23.623 -6.465 1.00 1.43 N ATOM 19 CA GLY A -1 -9.165 -22.340 -6.190 1.00 13.04 C ATOM 20 C GLY A -1 -9.305 -21.926 -4.739 1.00 33.14 C ATOM 21 O GLY A -1 -10.287 -22.271 -4.081 1.00 21.25 O ATOM 0 H GLY A -1 -10.724 -23.734 -6.089 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -8.108 -22.387 -6.450 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -9.617 -21.579 -6.827 1.00 13.04 H new ATOM 25 N HIS A 0 -8.321 -21.187 -4.238 1.00 34.31 N ATOM 26 CA HIS A 0 -8.339 -20.727 -2.853 1.00 13.52 C ATOM 27 C HIS A 0 -8.081 -19.225 -2.777 1.00 25.41 C ATOM 28 O HIS A 0 -7.159 -18.710 -3.411 1.00 53.23 O ATOM 29 CB HIS A 0 -7.293 -21.479 -2.031 1.00 25.24 C ATOM 30 CG HIS A 0 -7.320 -22.962 -2.238 1.00 1.03 C ATOM 31 ND1 HIS A 0 -6.225 -23.683 -2.664 1.00 45.34 N ATOM 32 CD2 HIS A 0 -8.319 -23.860 -2.074 1.00 43.03 C ATOM 33 CE1 HIS A 0 -6.549 -24.960 -2.754 1.00 10.13 C ATOM 34 NE2 HIS A 0 -7.814 -25.095 -2.401 1.00 75.12 N ATOM 0 H HIS A 0 -7.501 -20.894 -4.769 1.00 34.31 H new ATOM 0 HA HIS A 0 -9.328 -20.929 -2.441 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -6.303 -21.103 -2.287 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -7.451 -21.265 -0.974 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -9.326 -23.646 -1.747 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -5.891 -25.758 -3.064 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -8.332 -25.973 -2.375 1.00 75.12 H new ATOM 42 N HIS A 1 -8.901 -18.528 -1.997 1.00 21.22 N ATOM 43 CA HIS A 1 -8.761 -17.085 -1.837 1.00 52.03 C ATOM 44 C HIS A 1 -7.715 -16.755 -0.778 1.00 62.11 C ATOM 45 O HIS A 1 -7.114 -17.650 -0.183 1.00 54.41 O ATOM 46 CB HIS A 1 -10.104 -16.461 -1.457 1.00 31.50 C ATOM 47 CG HIS A 1 -11.176 -16.674 -2.481 1.00 2.14 C ATOM 48 ND1 HIS A 1 -12.485 -16.955 -2.154 1.00 14.01 N ATOM 49 CD2 HIS A 1 -11.127 -16.644 -3.834 1.00 4.13 C ATOM 50 CE1 HIS A 1 -13.194 -17.090 -3.259 1.00 32.44 C ATOM 51 NE2 HIS A 1 -12.393 -16.906 -4.294 1.00 32.12 N ATOM 0 H HIS A 1 -9.669 -18.939 -1.466 1.00 21.22 H new ATOM 0 HA HIS A 1 -8.432 -16.668 -2.789 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -10.433 -16.880 -0.506 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -9.967 -15.391 -1.304 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -10.254 -16.450 -4.439 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -14.250 -17.313 -3.309 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -12.670 -16.951 -5.274 1.00 32.12 H new ATOM 59 N HIS A 2 -7.501 -15.463 -0.547 1.00 33.54 N ATOM 60 CA HIS A 2 -6.526 -15.014 0.441 1.00 24.03 C ATOM 61 C HIS A 2 -7.168 -14.888 1.819 1.00 63.52 C ATOM 62 O HIS A 2 -8.347 -15.196 1.997 1.00 4.20 O ATOM 63 CB HIS A 2 -5.924 -13.672 0.022 1.00 32.11 C ATOM 64 CG HIS A 2 -4.987 -13.774 -1.143 1.00 2.22 C ATOM 65 ND1 HIS A 2 -5.114 -13.005 -2.280 1.00 55.23 N ATOM 66 CD2 HIS A 2 -3.902 -14.560 -1.340 1.00 45.43 C ATOM 67 CE1 HIS A 2 -4.149 -13.316 -3.128 1.00 2.54 C ATOM 68 NE2 HIS A 2 -3.400 -14.255 -2.581 1.00 72.04 N ATOM 0 H HIS A 2 -7.989 -14.709 -1.030 1.00 33.54 H new ATOM 0 HA HIS A 2 -5.732 -15.759 0.496 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -6.731 -12.984 -0.230 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -5.391 -13.241 0.870 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -3.506 -15.290 -0.650 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -3.999 -12.876 -4.103 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -2.581 -14.685 -3.011 1.00 72.04 H new ATOM 76 N HIS A 3 -6.384 -14.434 2.793 1.00 13.21 N ATOM 77 CA HIS A 3 -6.877 -14.268 4.156 1.00 42.42 C ATOM 78 C HIS A 3 -6.391 -12.951 4.752 1.00 63.20 C ATOM 79 O HIS A 3 -5.472 -12.321 4.226 1.00 2.02 O ATOM 80 CB HIS A 3 -6.422 -15.436 5.032 1.00 1.22 C ATOM 81 CG HIS A 3 -7.321 -15.695 6.200 1.00 65.11 C ATOM 82 ND1 HIS A 3 -8.694 -15.767 6.091 1.00 71.31 N ATOM 83 CD2 HIS A 3 -7.037 -15.901 7.508 1.00 41.43 C ATOM 84 CE1 HIS A 3 -9.216 -16.004 7.282 1.00 65.21 C ATOM 85 NE2 HIS A 3 -8.231 -16.091 8.159 1.00 12.34 N ATOM 0 H HIS A 3 -5.406 -14.175 2.664 1.00 13.21 H new ATOM 0 HA HIS A 3 -7.966 -14.252 4.122 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -6.365 -16.337 4.421 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -5.415 -15.235 5.397 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -6.054 -15.914 7.956 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -10.268 -16.109 7.501 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -8.340 -16.270 9.157 1.00 12.34 H new ATOM 93 N HIS A 4 -7.015 -12.539 5.851 1.00 40.35 N ATOM 94 CA HIS A 4 -6.646 -11.295 6.518 1.00 22.10 C ATOM 95 C HIS A 4 -5.844 -11.575 7.785 1.00 74.02 C ATOM 96 O HIS A 4 -6.000 -12.624 8.412 1.00 44.32 O ATOM 97 CB HIS A 4 -7.897 -10.485 6.861 1.00 1.30 C ATOM 98 CG HIS A 4 -8.537 -9.838 5.671 1.00 5.31 C ATOM 99 ND1 HIS A 4 -8.845 -8.495 5.620 1.00 64.23 N ATOM 100 CD2 HIS A 4 -8.925 -10.357 4.483 1.00 51.54 C ATOM 101 CE1 HIS A 4 -9.397 -8.217 4.453 1.00 54.22 C ATOM 102 NE2 HIS A 4 -9.456 -9.330 3.744 1.00 4.14 N ATOM 0 H HIS A 4 -7.778 -13.048 6.298 1.00 40.35 H new ATOM 0 HA HIS A 4 -6.023 -10.717 5.835 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -8.623 -11.140 7.342 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -7.633 -9.714 7.585 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -8.834 -11.388 4.174 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -9.742 -7.245 4.133 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -9.835 -9.413 2.801 1.00 4.14 H new ATOM 110 N HIS A 5 -4.984 -10.632 8.157 1.00 60.24 N ATOM 111 CA HIS A 5 -4.157 -10.778 9.349 1.00 11.12 C ATOM 112 C HIS A 5 -4.865 -10.209 10.575 1.00 33.24 C ATOM 113 O HIS A 5 -5.196 -9.024 10.620 1.00 12.22 O ATOM 114 CB HIS A 5 -2.812 -10.079 9.152 1.00 22.12 C ATOM 115 CG HIS A 5 -1.818 -10.896 8.385 1.00 33.15 C ATOM 116 ND1 HIS A 5 -0.497 -11.021 8.761 1.00 43.31 N ATOM 117 CD2 HIS A 5 -1.959 -11.634 7.259 1.00 2.04 C ATOM 118 CE1 HIS A 5 0.131 -11.799 7.898 1.00 73.02 C ATOM 119 NE2 HIS A 5 -0.734 -12.185 6.977 1.00 44.41 N ATOM 0 H HIS A 5 -4.842 -9.759 7.650 1.00 60.24 H new ATOM 0 HA HIS A 5 -3.984 -11.842 9.512 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -2.975 -9.136 8.630 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -2.393 -9.834 10.128 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -2.867 -11.765 6.689 1.00 2.04 H new ATOM 0 HE1 HIS A 5 1.175 -12.073 7.938 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -0.525 -12.793 6.185 1.00 44.41 H new ATOM 127 N THR A 6 -5.096 -11.062 11.568 1.00 44.42 N ATOM 128 CA THR A 6 -5.767 -10.644 12.793 1.00 11.22 C ATOM 129 C THR A 6 -4.941 -11.006 14.023 1.00 23.31 C ATOM 130 O THR A 6 -3.942 -11.717 13.924 1.00 44.55 O ATOM 131 CB THR A 6 -7.161 -11.286 12.917 1.00 11.30 C ATOM 132 OG1 THR A 6 -7.865 -10.719 14.028 1.00 25.35 O ATOM 133 CG2 THR A 6 -7.049 -12.793 13.098 1.00 51.53 C ATOM 0 H THR A 6 -4.828 -12.046 11.548 1.00 44.42 H new ATOM 0 HA THR A 6 -5.878 -9.561 12.739 1.00 11.22 H new ATOM 0 HB THR A 6 -7.711 -11.086 11.998 1.00 11.30 H new ATOM 0 HG1 THR A 6 -8.751 -11.132 14.099 1.00 25.35 H new ATOM 0 HG21 THR A 6 -8.046 -13.224 13.183 1.00 51.53 H new ATOM 0 HG22 THR A 6 -6.539 -13.226 12.238 1.00 51.53 H new ATOM 0 HG23 THR A 6 -6.481 -13.010 14.003 1.00 51.53 H new ATOM 141 N LYS A 7 -5.366 -10.513 15.181 1.00 74.22 N ATOM 142 CA LYS A 7 -4.668 -10.786 16.431 1.00 52.34 C ATOM 143 C LYS A 7 -5.312 -11.955 17.170 1.00 44.13 C ATOM 144 O LYS A 7 -6.247 -12.578 16.670 1.00 11.03 O ATOM 145 CB LYS A 7 -4.672 -9.542 17.323 1.00 74.23 C ATOM 146 CG LYS A 7 -4.018 -8.332 16.680 1.00 71.23 C ATOM 147 CD LYS A 7 -2.544 -8.575 16.402 1.00 12.54 C ATOM 148 CE LYS A 7 -1.816 -7.279 16.078 1.00 45.02 C ATOM 149 NZ LYS A 7 -1.519 -6.489 17.305 1.00 71.41 N1+ ATOM 0 H LYS A 7 -6.191 -9.922 15.280 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.638 -11.052 16.192 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -5.701 -9.294 17.582 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -4.156 -9.772 18.255 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -4.530 -8.093 15.748 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -4.128 -7.467 17.335 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -2.082 -9.046 17.270 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -2.440 -9.270 15.569 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -0.885 -7.505 15.558 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -2.424 -6.681 15.399 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -1.008 -5.622 17.044 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -2.409 -6.237 17.779 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -0.932 -7.056 17.949 1.00 71.41 H new ATOM 163 N GLY A 8 -4.805 -12.247 18.364 1.00 4.54 N ATOM 164 CA GLY A 8 -5.343 -13.340 19.152 1.00 1.12 C ATOM 165 C GLY A 8 -6.845 -13.238 19.335 1.00 12.44 C ATOM 166 O GLY A 8 -7.365 -12.175 19.670 1.00 42.34 O ATOM 0 H GLY A 8 -4.031 -11.746 18.800 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -5.102 -14.286 18.667 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.861 -13.351 20.129 1.00 1.12 H new ATOM 170 N ASN A 9 -7.543 -14.347 19.112 1.00 51.20 N ATOM 171 CA ASN A 9 -8.994 -14.377 19.251 1.00 63.11 C ATOM 172 C ASN A 9 -9.435 -15.574 20.088 1.00 4.24 C ATOM 173 O ASN A 9 -9.076 -16.715 19.798 1.00 20.25 O ATOM 174 CB ASN A 9 -9.659 -14.431 17.874 1.00 62.31 C ATOM 175 CG ASN A 9 -11.106 -14.879 17.948 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.548 -15.721 17.165 1.00 73.41 O ATOM 177 ND2 ASN A 9 -11.852 -14.316 18.892 1.00 54.03 N ATOM 0 H ASN A 9 -7.127 -15.236 18.834 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.304 -13.465 19.761 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.610 -13.445 17.411 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.103 -15.113 17.231 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -12.833 -14.577 18.990 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.444 -13.623 19.519 1.00 54.03 H new ATOM 184 N VAL A 10 -10.216 -15.305 21.130 1.00 11.42 N ATOM 185 CA VAL A 10 -10.709 -16.359 22.009 1.00 24.54 C ATOM 186 C VAL A 10 -12.232 -16.431 21.982 1.00 65.31 C ATOM 187 O VAL A 10 -12.916 -15.423 22.158 1.00 73.33 O ATOM 188 CB VAL A 10 -10.243 -16.142 23.461 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.637 -17.325 24.331 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.740 -15.912 23.508 1.00 42.41 C ATOM 0 H VAL A 10 -10.521 -14.366 21.386 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.297 -17.298 21.639 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.737 -15.253 23.854 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.299 -17.153 25.353 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.721 -17.439 24.321 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.174 -18.232 23.943 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.427 -15.760 24.541 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.226 -16.781 23.097 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.488 -15.030 22.920 1.00 42.41 H new ATOM 200 N THR A 11 -12.758 -17.632 21.758 1.00 10.10 N ATOM 201 CA THR A 11 -14.200 -17.836 21.708 1.00 34.03 C ATOM 202 C THR A 11 -14.633 -18.937 22.669 1.00 20.04 C ATOM 203 O THR A 11 -13.804 -19.688 23.184 1.00 73.43 O ATOM 204 CB THR A 11 -14.665 -18.200 20.285 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.590 -18.808 19.558 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.152 -16.966 19.542 1.00 3.03 C ATOM 0 H THR A 11 -12.207 -18.477 21.609 1.00 10.10 H new ATOM 0 HA THR A 11 -14.664 -16.895 22.005 1.00 34.03 H new ATOM 0 HB THR A 11 -15.492 -18.905 20.367 1.00 22.23 H new ATOM 0 HG1 THR A 11 -13.894 -19.038 18.655 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.475 -17.248 18.540 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.989 -16.523 20.082 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.342 -16.241 19.471 1.00 3.03 H new ATOM 214 N SER A 12 -15.938 -19.029 22.907 1.00 72.20 N ATOM 215 CA SER A 12 -16.481 -20.037 23.810 1.00 63.13 C ATOM 216 C SER A 12 -16.855 -21.304 23.047 1.00 64.31 C ATOM 217 O SER A 12 -17.316 -21.244 21.907 1.00 41.10 O ATOM 218 CB SER A 12 -17.707 -19.489 24.542 1.00 31.13 C ATOM 219 OG SER A 12 -18.868 -20.236 24.224 1.00 24.24 O ATOM 0 H SER A 12 -16.638 -18.418 22.487 1.00 72.20 H new ATOM 0 HA SER A 12 -15.712 -20.287 24.541 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.535 -19.519 25.618 1.00 31.13 H new ATOM 0 HB3 SER A 12 -17.858 -18.444 24.272 1.00 31.13 H new ATOM 0 HG SER A 12 -19.319 -20.507 25.051 1.00 24.24 H new ATOM 225 N LYS A 13 -16.654 -22.452 23.685 1.00 44.22 N ATOM 226 CA LYS A 13 -16.969 -23.736 23.069 1.00 60.22 C ATOM 227 C LYS A 13 -18.383 -24.180 23.432 1.00 54.30 C ATOM 228 O LYS A 13 -18.744 -25.344 23.257 1.00 2.34 O ATOM 229 CB LYS A 13 -15.961 -24.799 23.511 1.00 51.22 C ATOM 230 CG LYS A 13 -15.753 -25.902 22.488 1.00 2.31 C ATOM 231 CD LYS A 13 -15.252 -27.180 23.141 1.00 13.33 C ATOM 232 CE LYS A 13 -14.874 -28.225 22.103 1.00 53.45 C ATOM 233 NZ LYS A 13 -16.073 -28.831 21.462 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.274 -22.520 24.629 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.910 -23.616 21.987 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.004 -24.318 23.714 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.300 -25.242 24.447 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.691 -26.101 21.970 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.037 -25.572 21.736 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.387 -26.956 23.765 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.024 -27.581 23.798 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -14.246 -27.767 21.339 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -14.281 -29.008 22.576 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -15.772 -29.538 20.761 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -16.659 -29.291 22.187 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -16.626 -28.088 20.989 1.00 51.21 H new ATOM 247 N THR A 14 -19.181 -23.244 23.936 1.00 41.41 N ATOM 248 CA THR A 14 -20.555 -23.539 24.323 1.00 75.14 C ATOM 249 C THR A 14 -21.525 -23.224 23.189 1.00 53.42 C ATOM 250 O THR A 14 -22.255 -24.099 22.724 1.00 1.11 O ATOM 251 CB THR A 14 -20.970 -22.741 25.574 1.00 22.31 C ATOM 252 OG1 THR A 14 -19.914 -21.857 25.965 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.306 -23.677 26.726 1.00 0.42 C ATOM 0 H THR A 14 -18.899 -22.275 24.086 1.00 41.41 H new ATOM 0 HA THR A 14 -20.598 -24.604 24.550 1.00 75.14 H new ATOM 0 HB THR A 14 -21.858 -22.159 25.328 1.00 22.31 H new ATOM 0 HG1 THR A 14 -19.795 -21.900 26.937 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.596 -23.091 27.598 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.130 -24.329 26.436 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.433 -24.282 26.970 1.00 0.42 H new ATOM 261 N ASP A 15 -21.526 -21.971 22.749 1.00 13.30 N ATOM 262 CA ASP A 15 -22.405 -21.541 21.668 1.00 3.24 C ATOM 263 C ASP A 15 -21.595 -21.056 20.470 1.00 54.23 C ATOM 264 O ASP A 15 -22.058 -21.111 19.331 1.00 30.21 O ATOM 265 CB ASP A 15 -23.339 -20.431 22.151 1.00 34.54 C ATOM 266 CG ASP A 15 -24.309 -20.912 23.213 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.703 -20.094 24.071 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.673 -22.106 23.187 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.928 -21.235 23.124 1.00 13.30 H new ATOM 0 HA ASP A 15 -23.003 -22.398 21.357 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.745 -19.609 22.551 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.899 -20.037 21.303 1.00 34.54 H new ATOM 273 N GLY A 16 -20.383 -20.577 20.736 1.00 45.50 N ATOM 274 CA GLY A 16 -19.529 -20.087 19.669 1.00 13.14 C ATOM 275 C GLY A 16 -19.449 -18.574 19.640 1.00 50.04 C ATOM 276 O GLY A 16 -19.254 -17.977 18.581 1.00 53.34 O ATOM 0 H GLY A 16 -19.978 -20.520 21.670 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.527 -20.499 19.792 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.906 -20.446 18.712 1.00 13.14 H new ATOM 280 N GLN A 17 -19.601 -17.952 20.805 1.00 15.14 N ATOM 281 CA GLN A 17 -19.547 -16.498 20.907 1.00 71.43 C ATOM 282 C GLN A 17 -18.168 -16.036 21.366 1.00 32.32 C ATOM 283 O GLN A 17 -17.390 -16.799 21.938 1.00 12.20 O ATOM 284 CB GLN A 17 -20.616 -15.994 21.878 1.00 54.31 C ATOM 285 CG GLN A 17 -21.946 -15.681 21.209 1.00 63.40 C ATOM 286 CD GLN A 17 -22.704 -14.571 21.910 1.00 73.24 C ATOM 287 OE1 GLN A 17 -23.343 -14.793 22.938 1.00 3.00 O ATOM 288 NE2 GLN A 17 -22.636 -13.366 21.356 1.00 74.15 N ATOM 0 H GLN A 17 -19.762 -18.432 21.691 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.739 -16.082 19.918 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.776 -16.745 22.652 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.249 -15.097 22.376 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.769 -15.396 20.172 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.561 -16.581 21.192 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.094 -13.227 20.503 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -23.125 -12.580 21.784 1.00 74.15 H new ATOM 297 N PRO A 18 -17.856 -14.757 21.109 1.00 51.11 N ATOM 298 CA PRO A 18 -16.571 -14.164 21.488 1.00 61.23 C ATOM 299 C PRO A 18 -16.431 -13.998 22.997 1.00 5.35 C ATOM 300 O PRO A 18 -17.401 -13.689 23.688 1.00 41.13 O ATOM 301 CB PRO A 18 -16.593 -12.797 20.798 1.00 11.54 C ATOM 302 CG PRO A 18 -18.039 -12.475 20.643 1.00 0.34 C ATOM 303 CD PRO A 18 -18.736 -13.791 20.430 1.00 14.12 C ATOM 0 HA PRO A 18 -15.730 -14.792 21.193 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.081 -12.043 21.396 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -16.089 -12.833 19.832 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.423 -11.969 21.529 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -18.201 -11.806 19.798 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.738 -13.789 20.859 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.844 -14.022 19.370 1.00 14.12 H new ATOM 311 N ILE A 19 -15.218 -14.202 23.500 1.00 51.31 N ATOM 312 CA ILE A 19 -14.952 -14.073 24.927 1.00 72.32 C ATOM 313 C ILE A 19 -14.710 -12.617 25.312 1.00 61.13 C ATOM 314 O ILE A 19 -13.686 -12.033 24.957 1.00 31.30 O ATOM 315 CB ILE A 19 -13.734 -14.913 25.352 1.00 71.32 C ATOM 316 CG1 ILE A 19 -13.947 -16.383 24.982 1.00 63.22 C ATOM 317 CG2 ILE A 19 -13.485 -14.768 26.846 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.186 -16.988 25.605 1.00 75.31 C ATOM 0 H ILE A 19 -14.404 -14.457 22.940 1.00 51.31 H new ATOM 0 HA ILE A 19 -15.836 -14.442 25.446 1.00 72.32 H new ATOM 0 HB ILE A 19 -12.856 -14.547 24.820 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.015 -16.470 23.898 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.075 -16.958 25.294 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -12.621 -15.368 27.131 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.294 -13.721 27.083 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -14.362 -15.111 27.396 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.274 -18.031 25.300 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.111 -16.932 26.691 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.066 -16.437 25.273 1.00 75.31 H new ATOM 330 N ILE A 20 -15.658 -12.037 26.041 1.00 0.14 N ATOM 331 CA ILE A 20 -15.546 -10.651 26.475 1.00 33.25 C ATOM 332 C ILE A 20 -15.160 -10.566 27.948 1.00 4.43 C ATOM 333 O ILE A 20 -15.806 -11.166 28.807 1.00 31.01 O ATOM 334 CB ILE A 20 -16.864 -9.884 26.258 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.394 -10.128 24.843 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.658 -8.397 26.504 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.698 -9.417 24.555 1.00 42.20 C ATOM 0 H ILE A 20 -16.512 -12.506 26.343 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.764 -10.193 25.869 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.603 -10.251 26.971 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.645 -9.802 24.122 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.533 -11.199 24.696 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.598 -7.869 26.347 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.321 -8.241 27.529 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.907 -8.015 25.813 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.014 -9.635 23.535 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.462 -9.761 25.253 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.559 -8.342 24.670 1.00 42.20 H new ATOM 349 N GLY A 21 -14.100 -9.816 28.234 1.00 4.13 N ATOM 350 CA GLY A 21 -13.645 -9.664 29.604 1.00 62.52 C ATOM 351 C GLY A 21 -12.759 -10.810 30.051 1.00 10.52 C ATOM 352 O GLY A 21 -12.774 -11.196 31.219 1.00 13.11 O ATOM 0 H GLY A 21 -13.548 -9.311 27.541 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.097 -8.727 29.700 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.509 -9.597 30.265 1.00 62.52 H new ATOM 356 N ALA A 22 -11.986 -11.356 29.117 1.00 14.24 N ATOM 357 CA ALA A 22 -11.089 -12.464 29.421 1.00 24.05 C ATOM 358 C ALA A 22 -9.738 -11.956 29.917 1.00 13.45 C ATOM 359 O ALA A 22 -9.134 -11.074 29.308 1.00 23.13 O ATOM 360 CB ALA A 22 -10.905 -13.346 28.195 1.00 63.11 C ATOM 0 H ALA A 22 -11.963 -11.049 28.145 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.540 -13.057 30.217 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.233 -14.169 28.437 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.871 -13.745 27.886 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.479 -12.756 27.383 1.00 63.11 H new ATOM 366 N SER A 23 -9.272 -12.520 31.028 1.00 20.43 N ATOM 367 CA SER A 23 -7.995 -12.121 31.608 1.00 45.41 C ATOM 368 C SER A 23 -6.834 -12.787 30.875 1.00 32.33 C ATOM 369 O SER A 23 -6.603 -13.988 31.015 1.00 40.44 O ATOM 370 CB SER A 23 -7.950 -12.484 33.093 1.00 52.44 C ATOM 371 OG SER A 23 -8.876 -11.709 33.836 1.00 21.24 O ATOM 0 H SER A 23 -9.759 -13.253 31.543 1.00 20.43 H new ATOM 0 HA SER A 23 -7.897 -11.041 31.502 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.174 -13.543 33.219 1.00 52.44 H new ATOM 0 HB3 SER A 23 -6.944 -12.323 33.480 1.00 52.44 H new ATOM 0 HG SER A 23 -8.829 -11.961 34.782 1.00 21.24 H new ATOM 377 N VAL A 24 -6.104 -11.996 30.094 1.00 70.10 N ATOM 378 CA VAL A 24 -4.966 -12.507 29.339 1.00 11.40 C ATOM 379 C VAL A 24 -3.648 -12.048 29.954 1.00 21.15 C ATOM 380 O VAL A 24 -3.263 -10.886 29.828 1.00 75.44 O ATOM 381 CB VAL A 24 -5.018 -12.053 27.868 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.840 -12.621 27.091 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.337 -12.465 27.230 1.00 64.12 C ATOM 0 H VAL A 24 -6.281 -10.999 29.968 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.023 -13.595 29.378 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.950 -10.965 27.839 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.894 -12.289 26.054 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.908 -12.271 27.536 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.872 -13.710 27.126 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.357 -12.136 26.191 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.437 -13.550 27.270 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.163 -12.004 27.772 1.00 64.12 H new ATOM 393 N VAL A 25 -2.960 -12.970 30.620 1.00 54.40 N ATOM 394 CA VAL A 25 -1.685 -12.661 31.254 1.00 74.22 C ATOM 395 C VAL A 25 -0.567 -13.535 30.695 1.00 74.52 C ATOM 396 O VAL A 25 -0.724 -14.748 30.560 1.00 52.34 O ATOM 397 CB VAL A 25 -1.755 -12.852 32.781 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.836 -11.965 33.381 1.00 41.31 C ATOM 399 CG2 VAL A 25 -2.003 -14.314 33.124 1.00 31.03 C ATOM 0 H VAL A 25 -3.265 -13.937 30.734 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.469 -11.615 31.036 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.797 -12.559 33.211 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.871 -12.113 34.460 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.611 -10.921 33.165 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.802 -12.225 32.948 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -2.050 -14.431 34.207 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.946 -14.636 32.683 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -1.191 -14.923 32.728 1.00 31.03 H new ATOM 409 N GLU A 26 0.561 -12.909 30.373 1.00 60.03 N ATOM 410 CA GLU A 26 1.705 -13.631 29.828 1.00 2.03 C ATOM 411 C GLU A 26 2.651 -14.071 30.940 1.00 74.12 C ATOM 412 O GLU A 26 2.874 -13.340 31.907 1.00 32.34 O ATOM 413 CB GLU A 26 2.454 -12.757 28.821 1.00 54.12 C ATOM 414 CG GLU A 26 2.791 -11.372 29.349 1.00 11.04 C ATOM 415 CD GLU A 26 3.650 -10.573 28.388 1.00 42.11 C ATOM 416 OE1 GLU A 26 3.717 -9.336 28.541 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.254 -11.185 27.482 1.00 73.20 O1- ATOM 0 H GLU A 26 0.707 -11.905 30.480 1.00 60.03 H new ATOM 0 HA GLU A 26 1.333 -14.520 29.320 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.376 -13.260 28.531 1.00 54.12 H new ATOM 0 HB3 GLU A 26 1.849 -12.656 27.920 1.00 54.12 H new ATOM 0 HG2 GLU A 26 1.867 -10.827 29.544 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.311 -11.468 30.302 1.00 11.04 H new ATOM 424 N THR A 27 3.205 -15.271 30.798 1.00 32.44 N ATOM 425 CA THR A 27 4.126 -15.810 31.791 1.00 21.42 C ATOM 426 C THR A 27 5.292 -14.859 32.033 1.00 43.23 C ATOM 427 O THR A 27 5.831 -14.788 33.138 1.00 52.43 O ATOM 428 CB THR A 27 4.678 -17.181 31.359 1.00 43.33 C ATOM 429 OG1 THR A 27 5.249 -17.089 30.048 1.00 43.23 O ATOM 430 CG2 THR A 27 3.580 -18.234 31.365 1.00 11.11 C ATOM 0 H THR A 27 3.032 -15.888 30.005 1.00 32.44 H new ATOM 0 HA THR A 27 3.560 -15.929 32.715 1.00 21.42 H new ATOM 0 HB THR A 27 5.448 -17.477 32.071 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.532 -17.016 29.383 1.00 43.23 H new ATOM 0 HG21 THR A 27 3.995 -19.194 31.056 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.167 -18.323 32.370 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.791 -17.940 30.673 1.00 11.11 H new ATOM 438 N THR A 28 5.679 -14.127 30.992 1.00 30.42 N ATOM 439 CA THR A 28 6.782 -13.179 31.093 1.00 4.41 C ATOM 440 C THR A 28 6.389 -11.963 31.923 1.00 13.12 C ATOM 441 O THR A 28 7.247 -11.256 32.450 1.00 64.00 O ATOM 442 CB THR A 28 7.246 -12.709 29.701 1.00 64.03 C ATOM 443 OG1 THR A 28 6.130 -12.206 28.957 1.00 63.55 O ATOM 444 CG2 THR A 28 7.900 -13.849 28.935 1.00 20.21 C ATOM 0 H THR A 28 5.245 -14.173 30.070 1.00 30.42 H new ATOM 0 HA THR A 28 7.603 -13.700 31.586 1.00 4.41 H new ATOM 0 HB THR A 28 7.980 -11.915 29.836 1.00 64.03 H new ATOM 0 HG1 THR A 28 6.451 -11.767 28.142 1.00 63.55 H new ATOM 0 HG21 THR A 28 8.219 -13.493 27.955 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.766 -14.211 29.490 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.184 -14.661 28.810 1.00 20.21 H new ATOM 452 N ALA A 29 5.086 -11.725 32.035 1.00 21.15 N ATOM 453 CA ALA A 29 4.580 -10.595 32.804 1.00 63.21 C ATOM 454 C ALA A 29 3.081 -10.729 33.053 1.00 61.33 C ATOM 455 O ALA A 29 2.275 -10.631 32.126 1.00 2.51 O ATOM 456 CB ALA A 29 4.884 -9.290 32.086 1.00 62.41 C ATOM 0 H ALA A 29 4.362 -12.300 31.603 1.00 21.15 H new ATOM 0 HA ALA A 29 5.083 -10.590 33.771 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.500 -8.455 32.672 1.00 62.41 H new ATOM 0 HB2 ALA A 29 5.962 -9.184 31.965 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.408 -9.295 31.106 1.00 62.41 H new ATOM 462 N THR A 30 2.712 -10.952 34.310 1.00 64.05 N ATOM 463 CA THR A 30 1.310 -11.100 34.680 1.00 52.03 C ATOM 464 C THR A 30 0.662 -9.744 34.934 1.00 44.32 C ATOM 465 O THR A 30 -0.517 -9.542 34.639 1.00 33.44 O ATOM 466 CB THR A 30 1.151 -11.976 35.938 1.00 73.01 C ATOM 467 OG1 THR A 30 2.013 -13.116 35.854 1.00 1.52 O ATOM 468 CG2 THR A 30 -0.291 -12.435 36.099 1.00 41.22 C ATOM 0 H THR A 30 3.365 -11.034 35.089 1.00 64.05 H new ATOM 0 HA THR A 30 0.811 -11.586 33.842 1.00 52.03 H new ATOM 0 HB THR A 30 1.425 -11.378 36.807 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.907 -13.666 36.658 1.00 1.52 H new ATOM 0 HG21 THR A 30 -0.379 -13.052 36.993 1.00 41.22 H new ATOM 0 HG22 THR A 30 -0.941 -11.565 36.193 1.00 41.22 H new ATOM 0 HG23 THR A 30 -0.587 -13.017 35.226 1.00 41.22 H new ATOM 476 N THR A 31 1.439 -8.814 35.482 1.00 20.21 N ATOM 477 CA THR A 31 0.940 -7.478 35.775 1.00 74.23 C ATOM 478 C THR A 31 0.613 -6.719 34.494 1.00 5.21 C ATOM 479 O THR A 31 -0.231 -5.824 34.489 1.00 44.33 O ATOM 480 CB THR A 31 1.961 -6.664 36.594 1.00 70.21 C ATOM 481 OG1 THR A 31 3.165 -6.489 35.839 1.00 65.04 O ATOM 482 CG2 THR A 31 2.277 -7.360 37.909 1.00 32.33 C ATOM 0 H THR A 31 2.417 -8.963 35.731 1.00 20.21 H new ATOM 0 HA THR A 31 0.030 -7.603 36.362 1.00 74.23 H new ATOM 0 HB THR A 31 1.525 -5.689 36.813 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.808 -5.970 36.365 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.000 -6.767 38.470 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.363 -7.466 38.493 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.695 -8.346 37.707 1.00 32.33 H new ATOM 490 N ASN A 32 1.287 -7.083 33.408 1.00 33.34 N ATOM 491 CA ASN A 32 1.068 -6.437 32.119 1.00 52.15 C ATOM 492 C ASN A 32 0.037 -7.202 31.295 1.00 70.20 C ATOM 493 O ASN A 32 0.099 -7.221 30.066 1.00 25.25 O ATOM 494 CB ASN A 32 2.384 -6.336 31.345 1.00 21.20 C ATOM 495 CG ASN A 32 2.267 -5.452 30.119 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.892 -4.283 30.215 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.588 -6.008 28.956 1.00 53.21 N ATOM 0 H ASN A 32 1.990 -7.822 33.395 1.00 33.34 H new ATOM 0 HA ASN A 32 0.686 -5.433 32.304 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.159 -5.941 32.002 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.701 -7.334 31.041 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.528 -5.462 28.096 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.894 -6.980 28.923 1.00 53.21 H new ATOM 504 N GLY A 33 -0.911 -7.834 31.981 1.00 61.22 N ATOM 505 CA GLY A 33 -1.942 -8.592 31.297 1.00 53.12 C ATOM 506 C GLY A 33 -2.984 -7.700 30.649 1.00 52.44 C ATOM 507 O GLY A 33 -3.253 -6.598 31.128 1.00 13.13 O ATOM 0 H GLY A 33 -0.983 -7.834 32.998 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.481 -9.220 30.535 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.430 -9.259 32.008 1.00 53.12 H new ATOM 511 N THR A 34 -3.570 -8.177 29.556 1.00 73.43 N ATOM 512 CA THR A 34 -4.586 -7.415 28.839 1.00 24.51 C ATOM 513 C THR A 34 -5.923 -8.146 28.838 1.00 64.20 C ATOM 514 O THR A 34 -6.000 -9.318 29.209 1.00 40.52 O ATOM 515 CB THR A 34 -4.161 -7.143 27.384 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.054 -6.200 26.781 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.152 -8.430 26.573 1.00 1.21 C ATOM 0 H THR A 34 -3.359 -9.087 29.147 1.00 73.43 H new ATOM 0 HA THR A 34 -4.696 -6.465 29.361 1.00 24.51 H new ATOM 0 HB THR A 34 -3.152 -6.732 27.395 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.776 -6.031 25.857 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.849 -8.213 25.549 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.450 -9.135 27.017 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.151 -8.866 26.571 1.00 1.21 H new ATOM 525 N ILE A 35 -6.973 -7.448 28.419 1.00 53.35 N ATOM 526 CA ILE A 35 -8.307 -8.033 28.369 1.00 41.13 C ATOM 527 C ILE A 35 -8.778 -8.206 26.929 1.00 31.20 C ATOM 528 O ILE A 35 -8.136 -7.730 25.993 1.00 21.21 O ATOM 529 CB ILE A 35 -9.329 -7.169 29.131 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.321 -5.737 28.593 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.028 -7.183 30.622 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.503 -4.912 29.052 1.00 62.41 C ATOM 0 H ILE A 35 -6.926 -6.477 28.109 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.241 -9.010 28.847 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.323 -7.589 28.978 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.401 -5.245 28.907 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.310 -5.767 27.503 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.759 -6.568 31.147 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.081 -8.206 30.994 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.028 -6.785 30.795 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.431 -3.909 28.632 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.427 -5.381 28.715 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.503 -4.851 30.140 1.00 62.41 H new ATOM 544 N THR A 36 -9.905 -8.890 26.758 1.00 11.05 N ATOM 545 CA THR A 36 -10.462 -9.126 25.433 1.00 11.35 C ATOM 546 C THR A 36 -11.585 -8.142 25.125 1.00 20.04 C ATOM 547 O THR A 36 -12.278 -7.674 26.028 1.00 42.14 O ATOM 548 CB THR A 36 -11.004 -10.562 25.298 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.845 -10.874 26.414 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.863 -11.566 25.220 1.00 55.34 C ATOM 0 H THR A 36 -10.450 -9.290 27.522 1.00 11.05 H new ATOM 0 HA THR A 36 -9.650 -8.983 24.720 1.00 11.35 H new ATOM 0 HB THR A 36 -11.584 -10.623 24.377 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.573 -11.461 26.121 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.270 -12.573 25.125 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.241 -11.343 24.353 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.260 -11.502 26.126 1.00 55.34 H new ATOM 558 N ASP A 37 -11.759 -7.831 23.845 1.00 12.13 N ATOM 559 CA ASP A 37 -12.799 -6.903 23.418 1.00 12.53 C ATOM 560 C ASP A 37 -14.096 -7.644 23.111 1.00 15.53 C ATOM 561 O ASP A 37 -14.169 -8.866 23.234 1.00 0.31 O ATOM 562 CB ASP A 37 -12.340 -6.120 22.187 1.00 5.44 C ATOM 563 CG ASP A 37 -12.873 -4.701 22.171 1.00 34.54 C ATOM 564 OD1 ASP A 37 -12.194 -3.806 22.716 1.00 11.40 O ATOM 565 OD2 ASP A 37 -13.969 -4.485 21.611 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.193 -8.208 23.085 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.985 -6.205 24.234 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.251 -6.096 22.161 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.669 -6.639 21.287 1.00 5.44 H new ATOM 570 N PHE A 38 -15.119 -6.895 22.712 1.00 33.31 N ATOM 571 CA PHE A 38 -16.416 -7.481 22.389 1.00 53.25 C ATOM 572 C PHE A 38 -16.286 -8.499 21.260 1.00 61.41 C ATOM 573 O PHE A 38 -17.040 -9.470 21.195 1.00 72.12 O ATOM 574 CB PHE A 38 -17.408 -6.387 21.993 1.00 35.41 C ATOM 575 CG PHE A 38 -17.795 -5.487 23.133 1.00 23.40 C ATOM 576 CD1 PHE A 38 -18.871 -5.802 23.947 1.00 64.43 C ATOM 577 CD2 PHE A 38 -17.082 -4.326 23.389 1.00 13.51 C ATOM 578 CE1 PHE A 38 -19.229 -4.976 24.997 1.00 20.23 C ATOM 579 CE2 PHE A 38 -17.436 -3.498 24.436 1.00 23.43 C ATOM 580 CZ PHE A 38 -18.511 -3.822 25.240 1.00 34.05 C ATOM 0 H PHE A 38 -15.076 -5.882 22.604 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.787 -7.994 23.276 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.973 -5.784 21.196 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -18.306 -6.852 21.586 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.437 -6.703 23.759 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -16.241 -4.066 22.763 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -20.069 -5.233 25.626 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -16.872 -2.597 24.626 1.00 23.43 H new ATOM 0 HZ PHE A 38 -18.790 -3.174 26.058 1.00 34.05 H new ATOM 590 N ASP A 39 -15.325 -8.269 20.372 1.00 22.51 N ATOM 591 CA ASP A 39 -15.095 -9.166 19.245 1.00 30.24 C ATOM 592 C ASP A 39 -14.433 -10.460 19.706 1.00 3.40 C ATOM 593 O ASP A 39 -14.472 -11.472 19.008 1.00 20.40 O ATOM 594 CB ASP A 39 -14.225 -8.481 18.190 1.00 73.22 C ATOM 595 CG ASP A 39 -14.867 -7.223 17.636 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.233 -7.221 16.442 1.00 51.04 O ATOM 597 OD2 ASP A 39 -15.005 -6.243 18.398 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.693 -7.469 20.411 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.062 -9.411 18.805 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.259 -8.230 18.628 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.034 -9.177 17.374 1.00 73.22 H new ATOM 602 N GLY A 40 -13.823 -10.419 20.887 1.00 73.03 N ATOM 603 CA GLY A 40 -13.159 -11.594 21.420 1.00 73.43 C ATOM 604 C GLY A 40 -11.682 -11.628 21.085 1.00 75.31 C ATOM 605 O GLY A 40 -11.087 -12.700 20.980 1.00 64.34 O ATOM 0 H GLY A 40 -13.777 -9.593 21.484 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.283 -11.618 22.503 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.639 -12.489 21.024 1.00 73.43 H new ATOM 609 N ASN A 41 -11.088 -10.452 20.913 1.00 12.43 N ATOM 610 CA ASN A 41 -9.671 -10.351 20.584 1.00 23.51 C ATOM 611 C ASN A 41 -8.977 -9.324 21.473 1.00 23.24 C ATOM 612 O ASN A 41 -9.625 -8.461 22.065 1.00 21.02 O ATOM 613 CB ASN A 41 -9.493 -9.972 19.113 1.00 52.24 C ATOM 614 CG ASN A 41 -10.542 -10.607 18.221 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.896 -11.774 18.394 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.045 -9.840 17.260 1.00 22.41 N ATOM 0 H ASN A 41 -11.566 -9.555 20.996 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.213 -11.325 20.759 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -9.542 -8.888 19.012 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -8.502 -10.279 18.779 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.754 -10.213 16.629 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -10.722 -8.878 17.153 1.00 22.41 H new ATOM 623 N PHE A 42 -7.655 -9.424 21.563 1.00 71.21 N ATOM 624 CA PHE A 42 -6.872 -8.505 22.381 1.00 52.03 C ATOM 625 C PHE A 42 -5.593 -8.090 21.660 1.00 31.22 C ATOM 626 O PHE A 42 -5.201 -8.701 20.665 1.00 60.33 O ATOM 627 CB PHE A 42 -6.529 -9.150 23.725 1.00 2.54 C ATOM 628 CG PHE A 42 -5.987 -10.544 23.600 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.620 -10.771 23.580 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.844 -11.628 23.500 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.117 -12.053 23.464 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.348 -12.913 23.386 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.982 -13.126 23.367 1.00 22.53 C ATOM 0 H PHE A 42 -7.103 -10.132 21.079 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.473 -7.613 22.558 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.796 -8.529 24.240 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.423 -9.171 24.348 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -3.939 -9.936 23.656 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.912 -11.467 23.511 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.049 -12.216 23.449 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.027 -13.750 23.312 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.592 -14.129 23.277 1.00 22.53 H new ATOM 643 N THR A 43 -4.945 -7.048 22.169 1.00 70.14 N ATOM 644 CA THR A 43 -3.710 -6.551 21.575 1.00 1.25 C ATOM 645 C THR A 43 -2.593 -6.476 22.609 1.00 72.34 C ATOM 646 O THR A 43 -2.701 -5.758 23.605 1.00 32.41 O ATOM 647 CB THR A 43 -3.909 -5.157 20.951 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.641 -4.591 20.600 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.635 -4.230 21.915 1.00 0.43 C ATOM 0 H THR A 43 -5.255 -6.531 22.992 1.00 70.14 H new ATOM 0 HA THR A 43 -3.430 -7.256 20.792 1.00 1.25 H new ATOM 0 HB THR A 43 -4.517 -5.269 20.053 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.777 -3.706 20.203 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.764 -3.252 21.452 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.612 -4.649 22.156 1.00 0.43 H new ATOM 0 HG23 THR A 43 -4.050 -4.125 22.829 1.00 0.43 H new ATOM 657 N LEU A 44 -1.519 -7.221 22.369 1.00 30.33 N ATOM 658 CA LEU A 44 -0.380 -7.239 23.280 1.00 30.51 C ATOM 659 C LEU A 44 0.928 -7.414 22.514 1.00 15.23 C ATOM 660 O LEU A 44 1.030 -8.260 21.627 1.00 43.42 O ATOM 661 CB LEU A 44 -0.539 -8.364 24.304 1.00 2.24 C ATOM 662 CG LEU A 44 0.083 -8.113 25.679 1.00 41.34 C ATOM 663 CD1 LEU A 44 1.593 -7.981 25.567 1.00 14.32 C ATOM 664 CD2 LEU A 44 -0.518 -6.868 26.316 1.00 72.23 C ATOM 0 H LEU A 44 -1.413 -7.821 21.551 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.348 -6.283 23.802 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.603 -8.558 24.439 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.100 -9.271 23.889 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.139 -8.968 26.318 1.00 41.34 H new ATOM 0 HD11 LEU A 44 2.017 -7.803 26.555 1.00 14.32 H new ATOM 0 HD12 LEU A 44 2.009 -8.900 25.154 1.00 14.32 H new ATOM 0 HD13 LEU A 44 1.838 -7.145 24.911 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -0.064 -6.704 27.293 1.00 72.23 H new ATOM 0 HD22 LEU A 44 -0.327 -6.005 25.678 1.00 72.23 H new ATOM 0 HD23 LEU A 44 -1.593 -7.002 26.433 1.00 72.23 H new ATOM 676 N SER A 45 1.924 -6.608 22.865 1.00 73.42 N ATOM 677 CA SER A 45 3.226 -6.672 22.210 1.00 30.11 C ATOM 678 C SER A 45 4.266 -7.306 23.128 1.00 54.45 C ATOM 679 O SER A 45 4.504 -6.829 24.238 1.00 53.14 O ATOM 680 CB SER A 45 3.680 -5.272 21.794 1.00 12.24 C ATOM 681 OG SER A 45 3.650 -4.379 22.894 1.00 52.35 O ATOM 0 H SER A 45 1.855 -5.903 23.599 1.00 73.42 H new ATOM 0 HA SER A 45 3.127 -7.293 21.320 1.00 30.11 H new ATOM 0 HB2 SER A 45 4.690 -5.320 21.387 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.034 -4.898 21.000 1.00 12.24 H new ATOM 0 HG SER A 45 3.771 -4.881 23.727 1.00 52.35 H new ATOM 687 N VAL A 46 4.884 -8.385 22.657 1.00 11.02 N ATOM 688 CA VAL A 46 5.900 -9.085 23.434 1.00 13.10 C ATOM 689 C VAL A 46 7.162 -9.312 22.609 1.00 41.33 C ATOM 690 O VAL A 46 7.113 -9.750 21.460 1.00 34.03 O ATOM 691 CB VAL A 46 5.380 -10.442 23.944 1.00 71.43 C ATOM 692 CG1 VAL A 46 6.442 -11.140 24.779 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.099 -10.256 24.741 1.00 21.52 C ATOM 0 H VAL A 46 4.699 -8.793 21.741 1.00 11.02 H new ATOM 0 HA VAL A 46 6.138 -8.452 24.289 1.00 13.10 H new ATOM 0 HB VAL A 46 5.156 -11.073 23.084 1.00 71.43 H new ATOM 0 HG11 VAL A 46 6.057 -12.097 25.131 1.00 64.43 H new ATOM 0 HG12 VAL A 46 7.331 -11.308 24.171 1.00 64.43 H new ATOM 0 HG13 VAL A 46 6.700 -10.516 25.635 1.00 64.43 H new ATOM 0 HG21 VAL A 46 3.746 -11.225 25.094 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.293 -9.608 25.596 1.00 21.52 H new ATOM 0 HG23 VAL A 46 3.338 -9.802 24.106 1.00 21.52 H new ATOM 703 N PRO A 47 8.322 -9.008 23.209 1.00 12.13 N ATOM 704 CA PRO A 47 9.622 -9.173 22.549 1.00 2.21 C ATOM 705 C PRO A 47 9.992 -10.639 22.356 1.00 41.24 C ATOM 706 O PRO A 47 10.387 -11.051 21.265 1.00 33.23 O ATOM 707 CB PRO A 47 10.598 -8.497 23.514 1.00 32.44 C ATOM 708 CG PRO A 47 9.934 -8.580 24.846 1.00 60.01 C ATOM 709 CD PRO A 47 8.458 -8.482 24.578 1.00 52.01 C ATOM 0 HA PRO A 47 9.628 -8.745 21.547 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.563 -9.004 23.521 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.784 -7.462 23.228 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.179 -9.517 25.347 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.267 -7.773 25.499 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.880 -9.068 25.293 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.104 -7.453 24.650 1.00 52.01 H new ATOM 717 N VAL A 48 9.861 -11.424 23.421 1.00 62.33 N ATOM 718 CA VAL A 48 10.180 -12.845 23.367 1.00 40.41 C ATOM 719 C VAL A 48 8.933 -13.679 23.098 1.00 23.10 C ATOM 720 O VAL A 48 7.852 -13.379 23.602 1.00 71.24 O ATOM 721 CB VAL A 48 10.830 -13.324 24.679 1.00 11.01 C ATOM 722 CG1 VAL A 48 12.186 -12.664 24.875 1.00 61.40 C ATOM 723 CG2 VAL A 48 9.914 -13.041 25.862 1.00 30.33 C ATOM 0 H VAL A 48 9.536 -11.099 24.332 1.00 62.33 H new ATOM 0 HA VAL A 48 10.887 -12.979 22.548 1.00 40.41 H new ATOM 0 HB VAL A 48 10.983 -14.401 24.616 1.00 11.01 H new ATOM 0 HG11 VAL A 48 12.630 -13.014 25.807 1.00 61.40 H new ATOM 0 HG12 VAL A 48 12.840 -12.922 24.042 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.061 -11.582 24.917 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.389 -13.386 26.781 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.728 -11.969 25.930 1.00 30.33 H new ATOM 0 HG23 VAL A 48 8.968 -13.565 25.724 1.00 30.33 H new ATOM 733 N ASN A 49 9.091 -14.729 22.298 1.00 53.04 N ATOM 734 CA ASN A 49 7.976 -15.607 21.960 1.00 3.42 C ATOM 735 C ASN A 49 7.696 -16.590 23.094 1.00 15.14 C ATOM 736 O ASN A 49 7.750 -17.805 22.903 1.00 41.55 O ATOM 737 CB ASN A 49 8.277 -16.372 20.670 1.00 63.41 C ATOM 738 CG ASN A 49 8.109 -15.509 19.434 1.00 20.23 C ATOM 739 OD1 ASN A 49 7.152 -14.743 19.322 1.00 0.21 O ATOM 740 ND2 ASN A 49 9.044 -15.629 18.498 1.00 2.13 N ATOM 0 H ASN A 49 9.980 -14.992 21.872 1.00 53.04 H new ATOM 0 HA ASN A 49 7.090 -14.989 21.811 1.00 3.42 H new ATOM 0 HB2 ASN A 49 9.297 -16.754 20.707 1.00 63.41 H new ATOM 0 HB3 ASN A 49 7.615 -17.235 20.600 1.00 63.41 H new ATOM 0 HD21 ASN A 49 8.986 -15.073 17.645 1.00 2.13 H new ATOM 0 HD22 ASN A 49 9.820 -16.277 18.633 1.00 2.13 H new ATOM 747 N SER A 50 7.395 -16.055 24.272 1.00 44.25 N ATOM 748 CA SER A 50 7.108 -16.884 25.437 1.00 32.14 C ATOM 749 C SER A 50 5.675 -17.406 25.393 1.00 64.13 C ATOM 750 O SER A 50 4.985 -17.276 24.382 1.00 43.22 O ATOM 751 CB SER A 50 7.334 -16.087 26.724 1.00 24.20 C ATOM 752 OG SER A 50 7.430 -16.948 27.846 1.00 2.44 O ATOM 0 H SER A 50 7.343 -15.051 24.446 1.00 44.25 H new ATOM 0 HA SER A 50 7.787 -17.737 25.422 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.246 -15.497 26.635 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.513 -15.385 26.870 1.00 24.20 H new ATOM 0 HG SER A 50 6.681 -16.777 28.454 1.00 2.44 H new ATOM 758 N THR A 51 5.233 -17.998 26.499 1.00 5.13 N ATOM 759 CA THR A 51 3.884 -18.541 26.588 1.00 65.34 C ATOM 760 C THR A 51 2.910 -17.505 27.136 1.00 50.11 C ATOM 761 O THR A 51 3.308 -16.571 27.834 1.00 60.11 O ATOM 762 CB THR A 51 3.841 -19.794 27.483 1.00 55.53 C ATOM 763 OG1 THR A 51 5.087 -20.494 27.407 1.00 72.33 O ATOM 764 CG2 THR A 51 2.708 -20.719 27.065 1.00 1.44 C ATOM 0 H THR A 51 5.791 -18.113 27.345 1.00 5.13 H new ATOM 0 HA THR A 51 3.586 -18.816 25.576 1.00 65.34 H new ATOM 0 HB THR A 51 3.667 -19.473 28.510 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.052 -21.288 27.980 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.698 -21.597 27.711 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.758 -20.193 27.153 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.856 -21.031 26.031 1.00 1.44 H new ATOM 772 N LEU A 52 1.631 -17.676 26.818 1.00 33.00 N ATOM 773 CA LEU A 52 0.598 -16.755 27.279 1.00 60.43 C ATOM 774 C LEU A 52 -0.554 -17.512 27.932 1.00 61.44 C ATOM 775 O LEU A 52 -1.057 -18.493 27.382 1.00 62.04 O ATOM 776 CB LEU A 52 0.077 -15.916 26.112 1.00 25.32 C ATOM 777 CG LEU A 52 0.994 -14.791 25.631 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.714 -15.199 24.356 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.198 -13.512 25.410 1.00 44.14 C ATOM 0 H LEU A 52 1.285 -18.444 26.243 1.00 33.00 H new ATOM 0 HA LEU A 52 1.041 -16.093 28.023 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.119 -16.582 25.272 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.878 -15.479 26.403 1.00 25.32 H new ATOM 0 HG LEU A 52 1.741 -14.602 26.402 1.00 24.22 H new ATOM 0 HD11 LEU A 52 2.362 -14.386 24.028 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.315 -16.088 24.546 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.982 -15.415 23.578 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.866 -12.722 25.068 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.571 -13.688 24.658 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -0.272 -13.210 26.346 1.00 44.14 H new ATOM 791 N LYS A 53 -0.970 -17.050 29.105 1.00 74.15 N ATOM 792 CA LYS A 53 -2.066 -17.680 29.832 1.00 74.21 C ATOM 793 C LYS A 53 -3.326 -16.823 29.767 1.00 31.10 C ATOM 794 O LYS A 53 -3.315 -15.656 30.159 1.00 13.00 O ATOM 795 CB LYS A 53 -1.670 -17.913 31.291 1.00 14.13 C ATOM 796 CG LYS A 53 -2.826 -18.356 32.172 1.00 13.04 C ATOM 797 CD LYS A 53 -2.339 -18.853 33.523 1.00 71.31 C ATOM 798 CE LYS A 53 -3.425 -18.741 34.583 1.00 44.24 C ATOM 799 NZ LYS A 53 -4.253 -19.977 34.659 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.564 -16.240 29.574 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.276 -18.640 29.361 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.885 -18.668 31.329 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.248 -16.993 31.695 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.515 -17.523 32.316 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.384 -19.148 31.671 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.020 -19.892 33.436 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.467 -18.276 33.831 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.967 -18.550 35.554 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -4.065 -17.888 34.359 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -5.013 -19.843 35.356 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -4.669 -20.174 33.726 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -3.656 -20.778 34.948 1.00 24.22 H new ATOM 813 N ILE A 54 -4.410 -17.409 29.270 1.00 64.31 N ATOM 814 CA ILE A 54 -5.678 -16.700 29.157 1.00 34.23 C ATOM 815 C ILE A 54 -6.768 -17.387 29.973 1.00 24.45 C ATOM 816 O ILE A 54 -7.189 -18.500 29.654 1.00 52.53 O ATOM 817 CB ILE A 54 -6.137 -16.598 27.691 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.996 -16.083 26.811 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.352 -15.688 27.578 1.00 55.33 C ATOM 820 CD1 ILE A 54 -5.340 -16.041 25.338 1.00 73.40 C ATOM 0 H ILE A 54 -4.435 -18.373 28.939 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.514 -15.696 29.549 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.418 -17.592 27.344 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.718 -15.082 27.140 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.122 -16.719 26.954 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.664 -15.626 26.536 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.167 -16.093 28.178 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.096 -14.692 27.940 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -4.485 -15.666 24.775 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.589 -17.045 24.994 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -6.194 -15.382 25.182 1.00 73.40 H new ATOM 832 N THR A 55 -7.223 -16.717 31.028 1.00 53.10 N ATOM 833 CA THR A 55 -8.264 -17.263 31.888 1.00 62.11 C ATOM 834 C THR A 55 -9.492 -16.361 31.904 1.00 50.41 C ATOM 835 O THR A 55 -9.379 -15.138 31.821 1.00 11.34 O ATOM 836 CB THR A 55 -7.759 -17.449 33.331 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.567 -16.172 33.952 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.453 -18.229 33.352 1.00 13.32 C ATOM 0 H THR A 55 -6.886 -15.795 31.306 1.00 53.10 H new ATOM 0 HA THR A 55 -8.536 -18.235 31.478 1.00 62.11 H new ATOM 0 HB THR A 55 -8.510 -18.013 33.884 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.248 -16.299 34.870 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.116 -18.347 34.382 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.609 -19.211 32.906 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.697 -17.688 32.783 1.00 13.32 H new ATOM 846 N TYR A 56 -10.667 -16.971 32.011 1.00 11.42 N ATOM 847 CA TYR A 56 -11.919 -16.223 32.037 1.00 11.02 C ATOM 848 C TYR A 56 -12.882 -16.805 33.066 1.00 62.40 C ATOM 849 O TYR A 56 -13.289 -17.963 32.966 1.00 41.44 O ATOM 850 CB TYR A 56 -12.570 -16.230 30.652 1.00 44.12 C ATOM 851 CG TYR A 56 -13.783 -15.333 30.549 1.00 65.43 C ATOM 852 CD1 TYR A 56 -13.772 -14.053 31.089 1.00 22.43 C ATOM 853 CD2 TYR A 56 -14.939 -15.767 29.912 1.00 4.15 C ATOM 854 CE1 TYR A 56 -14.878 -13.230 30.997 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.049 -14.951 29.815 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.014 -13.683 30.359 1.00 31.42 C ATOM 857 OH TYR A 56 -17.118 -12.868 30.265 1.00 41.25 O ATOM 0 H TYR A 56 -10.779 -17.982 32.081 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.692 -15.195 32.320 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -11.833 -15.917 29.912 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -12.861 -17.250 30.401 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -12.884 -13.695 31.589 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -14.970 -16.759 29.486 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -14.853 -12.238 31.422 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -16.940 -15.303 29.316 1.00 41.03 H new ATOM 0 HH TYR A 56 -16.907 -12.096 29.700 1.00 41.25 H new ATOM 867 N ILE A 57 -13.242 -15.994 34.055 1.00 62.21 N ATOM 868 CA ILE A 57 -14.158 -16.427 35.103 1.00 35.22 C ATOM 869 C ILE A 57 -15.421 -17.041 34.509 1.00 41.02 C ATOM 870 O ILE A 57 -16.267 -16.336 33.962 1.00 74.23 O ATOM 871 CB ILE A 57 -14.552 -15.258 36.024 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.639 -15.700 37.008 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.027 -14.071 35.200 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.695 -14.859 38.264 1.00 34.03 C ATOM 0 H ILE A 57 -12.913 -15.033 34.153 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.633 -17.180 35.691 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.675 -14.952 36.594 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.607 -15.659 36.510 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.466 -16.740 37.284 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.302 -13.253 35.866 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.226 -13.745 34.536 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -15.894 -14.363 34.607 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.487 -15.229 38.915 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.740 -14.919 38.785 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -15.898 -13.822 37.998 1.00 34.03 H new ATOM 886 N GLY A 58 -15.542 -18.360 34.624 1.00 41.22 N ATOM 887 CA GLY A 58 -16.706 -19.047 34.096 1.00 34.45 C ATOM 888 C GLY A 58 -16.351 -20.363 33.434 1.00 45.03 C ATOM 889 O GLY A 58 -16.947 -21.398 33.735 1.00 23.42 O ATOM 0 H GLY A 58 -14.855 -18.965 35.073 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.414 -19.230 34.904 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.207 -18.403 33.373 1.00 34.45 H new ATOM 893 N TYR A 59 -15.380 -20.326 32.527 1.00 61.23 N ATOM 894 CA TYR A 59 -14.951 -21.524 31.818 1.00 30.13 C ATOM 895 C TYR A 59 -13.517 -21.892 32.188 1.00 1.25 C ATOM 896 O TYR A 59 -12.816 -21.123 32.847 1.00 60.34 O ATOM 897 CB TYR A 59 -15.060 -21.314 30.306 1.00 42.25 C ATOM 898 CG TYR A 59 -16.486 -21.265 29.804 1.00 43.24 C ATOM 899 CD1 TYR A 59 -16.968 -22.227 28.926 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.351 -20.254 30.206 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.269 -22.185 28.464 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.654 -20.205 29.750 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.108 -21.173 28.879 1.00 4.31 C ATOM 904 OH TYR A 59 -20.405 -21.127 28.421 1.00 24.41 O ATOM 0 H TYR A 59 -14.876 -19.478 32.266 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.606 -22.344 32.113 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.557 -20.384 30.039 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.531 -22.120 29.796 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.314 -23.022 28.599 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -16.998 -19.493 30.887 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.627 -22.941 27.781 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.313 -19.413 30.074 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.862 -20.352 28.810 1.00 24.41 H new ATOM 914 N LYS A 60 -13.087 -23.073 31.760 1.00 52.23 N ATOM 915 CA LYS A 60 -11.737 -23.545 32.043 1.00 72.32 C ATOM 916 C LYS A 60 -10.695 -22.573 31.500 1.00 51.35 C ATOM 917 O LYS A 60 -10.962 -21.780 30.597 1.00 73.04 O ATOM 918 CB LYS A 60 -11.521 -24.932 31.434 1.00 13.13 C ATOM 919 CG LYS A 60 -12.011 -26.068 32.317 1.00 75.30 C ATOM 920 CD LYS A 60 -11.162 -27.316 32.142 1.00 4.44 C ATOM 921 CE LYS A 60 -10.611 -27.806 33.473 1.00 2.10 C ATOM 922 NZ LYS A 60 -10.387 -29.279 33.472 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.654 -23.722 31.215 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.621 -23.607 33.125 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.035 -24.982 30.474 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.458 -25.070 31.235 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.988 -25.755 33.361 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.049 -26.296 32.075 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.760 -28.103 31.683 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.337 -27.104 31.461 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -9.672 -27.296 33.687 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.305 -27.545 34.272 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -10.011 -29.574 34.396 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -11.288 -29.767 33.293 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.705 -29.526 32.726 1.00 3.41 H new ATOM 936 N PRO A 61 -9.478 -22.634 32.062 1.00 20.42 N ATOM 937 CA PRO A 61 -8.372 -21.766 31.648 1.00 52.34 C ATOM 938 C PRO A 61 -7.854 -22.111 30.256 1.00 43.11 C ATOM 939 O PRO A 61 -8.192 -23.155 29.698 1.00 71.32 O ATOM 940 CB PRO A 61 -7.295 -22.038 32.701 1.00 12.55 C ATOM 941 CG PRO A 61 -7.595 -23.407 33.204 1.00 64.21 C ATOM 942 CD PRO A 61 -9.089 -23.553 33.143 1.00 62.33 C ATOM 0 HA PRO A 61 -8.675 -20.721 31.588 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.296 -21.985 32.268 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.333 -21.303 33.505 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.104 -24.164 32.592 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.232 -23.536 34.224 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.384 -24.579 32.923 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.558 -23.282 34.089 1.00 62.33 H new ATOM 950 N VAL A 62 -7.031 -21.227 29.700 1.00 41.12 N ATOM 951 CA VAL A 62 -6.465 -21.440 28.373 1.00 22.22 C ATOM 952 C VAL A 62 -4.976 -21.116 28.353 1.00 13.54 C ATOM 953 O VAL A 62 -4.533 -20.132 28.947 1.00 74.11 O ATOM 954 CB VAL A 62 -7.180 -20.579 27.313 1.00 23.31 C ATOM 955 CG1 VAL A 62 -6.514 -20.742 25.956 1.00 24.54 C ATOM 956 CG2 VAL A 62 -8.655 -20.943 27.240 1.00 33.21 C ATOM 0 H VAL A 62 -6.742 -20.357 30.148 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.609 -22.493 28.133 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.101 -19.532 27.606 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -7.032 -20.127 25.220 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -5.472 -20.429 26.022 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -6.560 -21.788 25.652 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -9.145 -20.326 26.487 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -8.757 -21.994 26.971 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -9.121 -20.770 28.210 1.00 33.21 H new ATOM 966 N THR A 63 -4.203 -21.953 27.665 1.00 11.33 N ATOM 967 CA THR A 63 -2.763 -21.757 27.568 1.00 11.40 C ATOM 968 C THR A 63 -2.287 -21.882 26.125 1.00 54.21 C ATOM 969 O THR A 63 -2.498 -22.907 25.477 1.00 35.44 O ATOM 970 CB THR A 63 -1.997 -22.772 28.438 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.675 -24.034 28.428 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.869 -22.271 29.868 1.00 60.11 C ATOM 0 H THR A 63 -4.552 -22.772 27.168 1.00 11.33 H new ATOM 0 HA THR A 63 -2.557 -20.750 27.931 1.00 11.40 H new ATOM 0 HB THR A 63 -0.997 -22.893 28.022 1.00 13.53 H new ATOM 0 HG1 THR A 63 -2.182 -24.675 28.982 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.325 -23.004 30.463 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.328 -21.325 29.875 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.862 -22.124 30.292 1.00 60.11 H new ATOM 980 N VAL A 64 -1.644 -20.831 25.626 1.00 54.51 N ATOM 981 CA VAL A 64 -1.136 -20.824 24.258 1.00 53.21 C ATOM 982 C VAL A 64 0.065 -19.895 24.123 1.00 13.32 C ATOM 983 O VAL A 64 0.176 -18.897 24.835 1.00 10.04 O ATOM 984 CB VAL A 64 -2.223 -20.388 23.258 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.237 -21.503 23.052 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.908 -19.116 23.737 1.00 14.45 C ATOM 0 H VAL A 64 -1.462 -19.974 26.148 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.830 -21.845 24.029 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.748 -20.179 22.299 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.997 -21.177 22.342 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.732 -22.387 22.662 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.709 -21.746 24.004 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.673 -18.822 23.019 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.371 -19.295 24.707 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.171 -18.318 23.829 1.00 14.45 H new ATOM 996 N LYS A 65 0.963 -20.230 23.203 1.00 23.50 N ATOM 997 CA LYS A 65 2.158 -19.425 22.972 1.00 33.44 C ATOM 998 C LYS A 65 1.846 -18.235 22.069 1.00 51.13 C ATOM 999 O LYS A 65 0.875 -18.256 21.312 1.00 14.12 O ATOM 1000 CB LYS A 65 3.259 -20.281 22.342 1.00 53.40 C ATOM 1001 CG LYS A 65 4.616 -19.597 22.308 1.00 44.43 C ATOM 1002 CD LYS A 65 5.687 -20.512 21.740 1.00 43.14 C ATOM 1003 CE LYS A 65 6.368 -21.319 22.834 1.00 1.42 C ATOM 1004 NZ LYS A 65 7.668 -21.888 22.377 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.887 -21.053 22.605 1.00 23.50 H new ATOM 0 HA LYS A 65 2.504 -19.048 23.934 1.00 33.44 H new ATOM 0 HB2 LYS A 65 3.346 -21.214 22.899 1.00 53.40 H new ATOM 0 HB3 LYS A 65 2.967 -20.542 21.325 1.00 53.40 H new ATOM 0 HG2 LYS A 65 4.553 -18.691 21.705 1.00 44.43 H new ATOM 0 HG3 LYS A 65 4.895 -19.290 23.316 1.00 44.43 H new ATOM 0 HD2 LYS A 65 5.240 -21.189 21.012 1.00 43.14 H new ATOM 0 HD3 LYS A 65 6.430 -19.918 21.209 1.00 43.14 H new ATOM 0 HE2 LYS A 65 6.535 -20.683 23.703 1.00 1.42 H new ATOM 0 HE3 LYS A 65 5.710 -22.127 23.152 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 8.101 -22.431 23.151 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 7.506 -22.515 21.563 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 8.306 -21.116 22.097 1.00 70.32 H new ATOM 1018 N ALA A 66 2.675 -17.200 22.154 1.00 25.33 N ATOM 1019 CA ALA A 66 2.489 -16.004 21.344 1.00 72.41 C ATOM 1020 C ALA A 66 2.587 -16.327 19.857 1.00 62.14 C ATOM 1021 O ALA A 66 3.529 -16.987 19.416 1.00 13.22 O ATOM 1022 CB ALA A 66 3.512 -14.944 21.724 1.00 71.52 C ATOM 0 H ALA A 66 3.482 -17.166 22.776 1.00 25.33 H new ATOM 0 HA ALA A 66 1.490 -15.615 21.540 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.361 -14.056 21.110 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.392 -14.683 22.776 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.517 -15.332 21.559 1.00 71.52 H new ATOM 1028 N ALA A 67 1.609 -15.860 19.088 1.00 60.43 N ATOM 1029 CA ALA A 67 1.587 -16.099 17.650 1.00 33.34 C ATOM 1030 C ALA A 67 0.737 -15.056 16.933 1.00 63.13 C ATOM 1031 O ALA A 67 -0.094 -14.389 17.549 1.00 55.04 O ATOM 1032 CB ALA A 67 1.068 -17.499 17.356 1.00 32.31 C ATOM 0 H ALA A 67 0.821 -15.314 19.437 1.00 60.43 H new ATOM 0 HA ALA A 67 2.608 -16.016 17.277 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.057 -17.664 16.279 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.718 -18.235 17.829 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.057 -17.602 17.749 1.00 32.31 H new ATOM 1038 N ALA A 68 0.951 -14.920 15.628 1.00 60.23 N ATOM 1039 CA ALA A 68 0.202 -13.958 14.828 1.00 73.13 C ATOM 1040 C ALA A 68 -1.300 -14.120 15.038 1.00 2.42 C ATOM 1041 O ALA A 68 -2.000 -13.154 15.343 1.00 53.41 O ATOM 1042 CB ALA A 68 0.551 -14.114 13.355 1.00 13.31 C ATOM 0 H ALA A 68 1.636 -15.463 15.103 1.00 60.23 H new ATOM 0 HA ALA A 68 0.481 -12.956 15.153 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.015 -13.390 12.768 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.618 -13.941 13.214 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.300 -15.123 13.026 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.787 -15.345 14.873 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.205 -15.631 15.045 1.00 43.13 C ATOM 1050 C ILE A 69 -3.418 -16.815 15.983 1.00 23.51 C ATOM 1051 O ILE A 69 -3.090 -17.954 15.646 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.887 -15.929 13.696 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.702 -14.754 12.736 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.366 -16.223 13.904 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.069 -15.079 11.305 1.00 23.11 C ATOM 0 H ILE A 69 -1.220 -16.155 14.621 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.656 -14.740 15.482 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.420 -16.810 13.256 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.311 -13.917 13.078 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.663 -14.427 12.771 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.834 -16.432 12.942 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.477 -17.089 14.557 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.848 -15.359 14.362 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.913 -14.199 10.681 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.443 -15.895 10.945 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.116 -15.377 11.257 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.969 -16.540 17.160 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.228 -17.583 18.145 1.00 74.42 C ATOM 1069 C VAL A 70 -5.725 -17.775 18.362 1.00 52.51 C ATOM 1070 O VAL A 70 -6.403 -16.899 18.899 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.563 -17.257 19.496 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.679 -18.437 20.447 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -2.106 -16.868 19.292 1.00 74.33 C ATOM 0 H VAL A 70 -4.245 -15.603 17.455 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.800 -18.504 17.750 1.00 74.42 H new ATOM 0 HB VAL A 70 -4.083 -16.409 19.942 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.204 -18.188 21.396 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -4.731 -18.665 20.617 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -3.185 -19.306 20.011 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -1.652 -16.641 20.256 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -1.571 -17.694 18.824 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -2.051 -15.990 18.649 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.236 -18.928 17.940 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.654 -19.235 18.088 1.00 11.52 C ATOM 1085 C ASN A 71 -7.861 -20.391 19.063 1.00 55.40 C ATOM 1086 O ASN A 71 -7.490 -21.530 18.779 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.266 -19.583 16.730 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.507 -18.354 15.873 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -7.995 -18.253 14.757 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.286 -17.414 16.393 1.00 50.40 N ATOM 0 H ASN A 71 -5.689 -19.664 17.493 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.152 -18.352 18.488 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.604 -20.268 16.201 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.210 -20.107 16.883 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.482 -16.564 15.864 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.688 -17.541 17.322 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.457 -20.088 20.212 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.716 -21.102 21.228 1.00 24.20 C ATOM 1099 C VAL A 72 -10.171 -21.064 21.684 1.00 31.43 C ATOM 1100 O VAL A 72 -10.799 -20.004 21.704 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.801 -20.915 22.452 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -7.996 -22.052 23.444 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.346 -20.819 22.020 1.00 24.11 C ATOM 0 H VAL A 72 -8.769 -19.150 20.462 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.507 -22.069 20.771 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.072 -19.982 22.946 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.341 -21.902 24.302 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.033 -22.070 23.778 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.754 -23.000 22.963 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -5.714 -20.687 22.898 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.060 -21.734 21.501 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.220 -19.967 21.351 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.700 -22.226 22.048 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.082 -22.327 22.505 1.00 72.02 C ATOM 1115 C LEU A 73 -12.143 -22.512 24.019 1.00 3.23 C ATOM 1116 O LEU A 73 -11.287 -23.170 24.610 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.787 -23.492 21.809 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.719 -23.500 20.281 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.485 -24.250 19.806 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -13.979 -24.118 19.695 1.00 64.32 C ATOM 0 H LEU A 73 -10.194 -23.111 22.036 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.591 -21.398 22.250 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.357 -24.423 22.177 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.836 -23.486 22.106 1.00 3.23 H new ATOM 0 HG LEU A 73 -12.648 -22.469 19.934 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.453 -24.245 18.716 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.591 -23.764 20.197 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -11.525 -25.279 20.163 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -13.913 -24.115 18.607 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.080 -25.144 20.050 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -14.848 -23.538 20.007 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.163 -21.929 24.640 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.338 -22.032 26.084 1.00 22.25 C ATOM 1134 C LEU A 74 -14.140 -23.277 26.449 1.00 10.24 C ATOM 1135 O LEU A 74 -15.271 -23.452 25.995 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.039 -20.783 26.623 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.305 -20.027 27.730 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.889 -19.682 27.293 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.069 -18.767 28.111 1.00 34.41 C ATOM 0 H LEU A 74 -13.881 -21.381 24.166 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.351 -22.113 26.540 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.207 -20.098 25.792 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.020 -21.075 26.998 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.246 -20.672 28.607 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.382 -19.144 28.094 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.344 -20.599 27.070 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.926 -19.056 26.402 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.532 -18.241 28.900 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.159 -18.119 27.239 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.063 -19.038 28.466 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.548 -24.137 27.271 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.209 -25.365 27.698 1.00 73.42 C ATOM 1153 C GLU A 75 -15.007 -25.138 28.978 1.00 44.11 C ATOM 1154 O GLU A 75 -14.567 -24.419 29.875 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.180 -26.476 27.915 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.315 -26.752 26.696 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.978 -27.696 25.712 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -14.074 -28.206 26.025 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.400 -27.924 24.628 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.612 -24.006 27.655 1.00 25.11 H new ATOM 0 HA GLU A 75 -14.899 -25.668 26.910 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.537 -26.205 28.752 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.700 -27.392 28.196 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -12.089 -25.811 26.195 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -11.365 -27.178 27.018 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.182 -25.755 29.054 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.041 -25.618 30.225 1.00 55.40 C ATOM 1168 C GLU A 76 -16.319 -26.081 31.487 1.00 52.44 C ATOM 1169 O GLU A 76 -15.577 -27.063 31.466 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.329 -26.423 30.036 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.953 -26.259 28.662 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.399 -26.714 28.620 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.262 -26.001 29.177 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -20.670 -27.781 28.031 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.561 -26.354 28.320 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.293 -24.564 30.338 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.116 -27.478 30.205 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.052 -26.119 30.793 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.897 -25.212 28.364 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.375 -26.829 27.934 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.540 -25.364 32.583 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.912 -25.700 33.856 1.00 14.13 C ATOM 1183 C ASP A 77 -16.872 -26.480 34.747 1.00 2.45 C ATOM 1184 O ASP A 77 -18.088 -26.303 34.673 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.449 -24.430 34.572 1.00 0.41 C ATOM 1186 CG ASP A 77 -16.574 -23.747 35.324 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -17.708 -23.721 34.799 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -16.322 -23.238 36.436 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.149 -24.547 32.616 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.045 -26.328 33.650 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.649 -24.680 35.269 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.030 -23.737 33.842 1.00 0.41 H new ATOM 1193 N THR A 78 -16.318 -27.346 35.591 1.00 73.11 N ATOM 1194 CA THR A 78 -17.125 -28.155 36.495 1.00 32.45 C ATOM 1195 C THR A 78 -16.450 -28.300 37.854 1.00 35.21 C ATOM 1196 O THR A 78 -15.323 -27.848 38.048 1.00 74.43 O ATOM 1197 CB THR A 78 -17.388 -29.557 35.912 1.00 13.32 C ATOM 1198 OG1 THR A 78 -16.179 -30.092 35.362 1.00 10.33 O ATOM 1199 CG2 THR A 78 -18.461 -29.503 34.835 1.00 23.12 C ATOM 0 H THR A 78 -15.313 -27.504 35.667 1.00 73.11 H new ATOM 0 HA THR A 78 -18.076 -27.637 36.618 1.00 32.45 H new ATOM 0 HB THR A 78 -17.738 -30.202 36.718 1.00 13.32 H new ATOM 0 HG1 THR A 78 -16.353 -30.984 34.995 1.00 10.33 H new ATOM 0 HG21 THR A 78 -18.629 -30.504 34.438 1.00 23.12 H new ATOM 0 HG22 THR A 78 -19.388 -29.122 35.264 1.00 23.12 H new ATOM 0 HG23 THR A 78 -18.136 -28.844 34.030 1.00 23.12 H new ATOM 1207 N GLN A 79 -17.148 -28.934 38.791 1.00 71.11 N ATOM 1208 CA GLN A 79 -16.614 -29.138 40.133 1.00 23.05 C ATOM 1209 C GLN A 79 -16.267 -30.606 40.363 1.00 15.21 C ATOM 1210 O GLN A 79 -17.103 -31.387 40.817 1.00 62.32 O ATOM 1211 CB GLN A 79 -17.623 -28.670 41.183 1.00 33.22 C ATOM 1212 CG GLN A 79 -17.129 -28.824 42.612 1.00 21.24 C ATOM 1213 CD GLN A 79 -18.055 -28.175 43.622 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -18.513 -27.049 43.429 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -18.337 -28.886 44.708 1.00 4.20 N ATOM 0 H GLN A 79 -18.083 -29.315 38.646 1.00 71.11 H new ATOM 0 HA GLN A 79 -15.702 -28.548 40.228 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -17.864 -27.623 41.002 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -18.547 -29.235 41.064 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -17.028 -29.884 42.845 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -16.136 -28.383 42.699 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -17.935 -29.816 44.827 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -18.955 -28.502 45.423 1.00 4.20 H new ATOM 1224 N MET A 80 -15.029 -30.972 40.048 1.00 10.55 N ATOM 1225 CA MET A 80 -14.572 -32.346 40.222 1.00 33.12 C ATOM 1226 C MET A 80 -13.304 -32.394 41.069 1.00 54.10 C ATOM 1227 O MET A 80 -12.669 -31.368 41.313 1.00 32.25 O ATOM 1228 CB MET A 80 -14.315 -32.997 38.861 1.00 43.24 C ATOM 1229 CG MET A 80 -13.046 -32.506 38.182 1.00 33.52 C ATOM 1230 SD MET A 80 -12.908 -33.071 36.476 1.00 41.55 S ATOM 1231 CE MET A 80 -11.170 -33.495 36.399 1.00 74.23 C ATOM 0 H MET A 80 -14.325 -30.337 39.671 1.00 10.55 H new ATOM 0 HA MET A 80 -15.355 -32.900 40.740 1.00 33.12 H new ATOM 0 HB2 MET A 80 -14.253 -34.078 38.990 1.00 43.24 H new ATOM 0 HB3 MET A 80 -15.166 -32.802 38.208 1.00 43.24 H new ATOM 0 HG2 MET A 80 -13.026 -31.416 38.202 1.00 33.52 H new ATOM 0 HG3 MET A 80 -12.180 -32.851 38.746 1.00 33.52 H new ATOM 0 HE1 MET A 80 -10.929 -33.862 35.401 1.00 74.23 H new ATOM 0 HE2 MET A 80 -10.570 -32.611 36.615 1.00 74.23 H new ATOM 0 HE3 MET A 80 -10.952 -34.270 37.134 1.00 74.23 H new ATOM 1241 N VAL A 81 -12.941 -33.592 41.515 1.00 0.53 N ATOM 1242 CA VAL A 81 -11.748 -33.773 42.334 1.00 1.25 C ATOM 1243 C VAL A 81 -11.130 -35.149 42.108 1.00 62.43 C ATOM 1244 O VAL A 81 -11.797 -36.173 42.256 1.00 3.11 O ATOM 1245 CB VAL A 81 -12.065 -33.605 43.832 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -12.384 -32.152 44.149 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -13.215 -34.514 44.239 1.00 54.24 C ATOM 0 H VAL A 81 -13.456 -34.452 41.323 1.00 0.53 H new ATOM 0 HA VAL A 81 -11.037 -33.004 42.032 1.00 1.25 H new ATOM 0 HB VAL A 81 -11.185 -33.893 44.407 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -12.606 -32.052 45.212 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -11.527 -31.528 43.896 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -13.249 -31.834 43.566 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -13.425 -34.382 45.300 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -14.102 -34.260 43.659 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -12.943 -35.552 44.049 1.00 54.24 H new ATOM 1257 N ASP A 82 -9.851 -35.165 41.749 1.00 21.33 N ATOM 1258 CA ASP A 82 -9.142 -36.415 41.503 1.00 52.35 C ATOM 1259 C ASP A 82 -9.129 -37.287 42.755 1.00 42.13 C ATOM 1260 O ASP A 82 -9.312 -36.794 43.868 1.00 40.40 O ATOM 1261 CB ASP A 82 -7.709 -36.133 41.049 1.00 62.52 C ATOM 1262 CG ASP A 82 -6.967 -35.223 42.007 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -5.953 -34.622 41.591 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -7.399 -35.110 43.174 1.00 1.31 O1- ATOM 0 H ASP A 82 -9.284 -34.327 41.622 1.00 21.33 H new ATOM 0 HA ASP A 82 -9.666 -36.952 40.712 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -7.169 -37.075 40.955 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -7.728 -35.676 40.059 1.00 62.52 H new ATOM 1269 N GLU A 83 -8.912 -38.585 42.565 1.00 63.12 N ATOM 1270 CA GLU A 83 -8.878 -39.525 43.679 1.00 23.02 C ATOM 1271 C GLU A 83 -7.587 -40.338 43.664 1.00 10.51 C ATOM 1272 O GLU A 83 -7.605 -41.557 43.843 1.00 50.40 O ATOM 1273 CB GLU A 83 -10.085 -40.463 43.622 1.00 13.42 C ATOM 1274 CG GLU A 83 -11.409 -39.768 43.891 1.00 3.23 C ATOM 1275 CD GLU A 83 -11.466 -39.136 45.268 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -11.454 -37.890 45.351 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -11.522 -39.888 46.264 1.00 64.43 O1- ATOM 0 H GLU A 83 -8.757 -39.009 41.650 1.00 63.12 H new ATOM 0 HA GLU A 83 -8.917 -38.952 44.606 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -10.124 -40.932 42.639 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -9.949 -41.262 44.351 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -11.572 -38.999 43.135 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -12.220 -40.489 43.792 1.00 3.23 H new ATOM 1284 N VAL A 84 -6.466 -39.656 43.449 1.00 23.40 N ATOM 1285 CA VAL A 84 -5.166 -40.314 43.412 1.00 2.42 C ATOM 1286 C VAL A 84 -4.391 -40.073 44.702 1.00 11.52 C ATOM 1287 O VAL A 84 -4.412 -38.974 45.256 1.00 34.13 O ATOM 1288 CB VAL A 84 -4.323 -39.823 42.220 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -4.164 -38.310 42.265 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -2.965 -40.509 42.209 1.00 53.25 C ATOM 0 H VAL A 84 -6.433 -38.648 43.298 1.00 23.40 H new ATOM 0 HA VAL A 84 -5.354 -41.382 43.299 1.00 2.42 H new ATOM 0 HB VAL A 84 -4.844 -40.083 41.298 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -3.566 -37.982 41.415 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -5.146 -37.839 42.221 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -3.666 -38.024 43.191 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -2.383 -40.150 41.360 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -2.435 -40.282 43.134 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -3.103 -41.587 42.125 1.00 53.25 H new ATOM 1300 N VAL A 85 -3.705 -41.108 45.177 1.00 23.03 N ATOM 1301 CA VAL A 85 -2.921 -41.010 46.402 1.00 53.43 C ATOM 1302 C VAL A 85 -1.522 -41.582 46.207 1.00 23.44 C ATOM 1303 O VAL A 85 -1.348 -42.621 45.569 1.00 52.44 O ATOM 1304 CB VAL A 85 -3.607 -41.747 47.568 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -3.636 -43.245 47.310 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -2.904 -41.436 48.881 1.00 13.25 C ATOM 0 H VAL A 85 -3.677 -42.025 44.731 1.00 23.03 H new ATOM 0 HA VAL A 85 -2.846 -39.950 46.645 1.00 53.43 H new ATOM 0 HB VAL A 85 -4.636 -41.396 47.642 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -4.124 -43.749 48.144 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -4.188 -43.445 46.392 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -2.616 -43.617 47.209 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -3.401 -41.965 49.694 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -1.864 -41.757 48.822 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -2.942 -40.363 49.069 1.00 13.25 H new ATOM 1316 N VAL A 86 -0.526 -40.899 46.760 1.00 13.51 N ATOM 1317 CA VAL A 86 0.859 -41.340 46.649 1.00 11.22 C ATOM 1318 C VAL A 86 1.356 -41.928 47.965 1.00 63.12 C ATOM 1319 O VAL A 86 1.584 -41.206 48.935 1.00 25.30 O ATOM 1320 CB VAL A 86 1.786 -40.181 46.236 1.00 50.12 C ATOM 1321 CG1 VAL A 86 3.207 -40.680 46.031 1.00 3.22 C ATOM 1322 CG2 VAL A 86 1.263 -39.504 44.977 1.00 73.01 C ATOM 0 H VAL A 86 -0.652 -40.037 47.290 1.00 13.51 H new ATOM 0 HA VAL A 86 0.885 -42.109 45.877 1.00 11.22 H new ATOM 0 HB VAL A 86 1.798 -39.445 47.040 1.00 50.12 H new ATOM 0 HG11 VAL A 86 3.847 -39.847 45.740 1.00 3.22 H new ATOM 0 HG12 VAL A 86 3.577 -41.115 46.959 1.00 3.22 H new ATOM 0 HG13 VAL A 86 3.217 -41.437 45.247 1.00 3.22 H new ATOM 0 HG21 VAL A 86 1.930 -38.688 44.699 1.00 73.01 H new ATOM 0 HG22 VAL A 86 1.220 -40.230 44.165 1.00 73.01 H new ATOM 0 HG23 VAL A 86 0.264 -39.109 45.164 1.00 73.01 H new ATOM 1332 N THR A 87 1.523 -43.247 47.991 1.00 32.30 N ATOM 1333 CA THR A 87 1.992 -43.935 49.187 1.00 63.34 C ATOM 1334 C THR A 87 3.485 -44.231 49.101 1.00 32.24 C ATOM 1335 O THR A 87 4.094 -44.100 48.040 1.00 11.13 O ATOM 1336 CB THR A 87 1.230 -45.255 49.411 1.00 65.24 C ATOM 1337 OG1 THR A 87 1.114 -45.970 48.175 1.00 1.23 O ATOM 1338 CG2 THR A 87 -0.154 -44.991 49.984 1.00 64.13 C ATOM 0 H THR A 87 1.340 -43.860 47.197 1.00 32.30 H new ATOM 0 HA THR A 87 1.805 -43.269 50.029 1.00 63.34 H new ATOM 0 HB THR A 87 1.792 -45.856 50.126 1.00 65.24 H new ATOM 0 HG1 THR A 87 0.630 -46.809 48.326 1.00 1.23 H new ATOM 0 HG21 THR A 87 -0.673 -45.938 50.133 1.00 64.13 H new ATOM 0 HG22 THR A 87 -0.060 -44.474 50.939 1.00 64.13 H new ATOM 0 HG23 THR A 87 -0.723 -44.371 49.291 1.00 64.13 H new ATOM 1346 N GLY A 88 4.070 -44.632 50.226 1.00 61.42 N ATOM 1347 CA GLY A 88 5.488 -44.940 50.255 1.00 23.00 C ATOM 1348 C GLY A 88 5.807 -46.260 49.580 1.00 61.32 C ATOM 1349 O GLY A 88 5.020 -46.762 48.778 1.00 11.31 O ATOM 0 H GLY A 88 3.588 -44.749 51.117 1.00 61.42 H new ATOM 0 HA2 GLY A 88 6.041 -44.140 49.762 1.00 23.00 H new ATOM 0 HA3 GLY A 88 5.829 -44.973 51.290 1.00 23.00 H new ATOM 1353 N TYR A 89 6.967 -46.822 49.906 1.00 75.33 N ATOM 1354 CA TYR A 89 7.391 -48.089 49.321 1.00 31.00 C ATOM 1355 C TYR A 89 8.338 -48.831 50.260 1.00 2.11 C ATOM 1356 O TYR A 89 8.919 -48.240 51.172 1.00 10.14 O ATOM 1357 CB TYR A 89 8.074 -47.851 47.974 1.00 63.35 C ATOM 1358 CG TYR A 89 8.128 -49.081 47.097 1.00 22.31 C ATOM 1359 CD1 TYR A 89 9.345 -49.621 46.698 1.00 11.32 C ATOM 1360 CD2 TYR A 89 6.963 -49.703 46.666 1.00 75.11 C ATOM 1361 CE1 TYR A 89 9.400 -50.743 45.896 1.00 30.34 C ATOM 1362 CE2 TYR A 89 7.009 -50.828 45.865 1.00 50.14 C ATOM 1363 CZ TYR A 89 8.228 -51.344 45.482 1.00 73.01 C ATOM 1364 OH TYR A 89 8.277 -52.464 44.683 1.00 13.23 O ATOM 0 H TYR A 89 7.629 -46.421 50.571 1.00 75.33 H new ATOM 0 HA TYR A 89 6.504 -48.704 49.166 1.00 31.00 H new ATOM 0 HB2 TYR A 89 7.545 -47.059 47.443 1.00 63.35 H new ATOM 0 HB3 TYR A 89 9.089 -47.495 48.149 1.00 63.35 H new ATOM 0 HD1 TYR A 89 10.264 -49.154 47.021 1.00 11.32 H new ATOM 0 HD2 TYR A 89 6.005 -49.301 46.962 1.00 75.11 H new ATOM 0 HE1 TYR A 89 10.354 -51.148 45.594 1.00 30.34 H new ATOM 0 HE2 TYR A 89 6.094 -51.301 45.541 1.00 50.14 H new ATOM 0 HH TYR A 89 7.365 -52.763 44.483 1.00 13.23 H new ATOM 1374 N THR A 90 8.490 -50.132 50.031 1.00 63.13 N ATOM 1375 CA THR A 90 9.366 -50.956 50.854 1.00 73.03 C ATOM 1376 C THR A 90 10.674 -51.259 50.133 1.00 22.02 C ATOM 1377 O THR A 90 11.715 -51.441 50.766 1.00 3.25 O ATOM 1378 CB THR A 90 8.687 -52.284 51.241 1.00 65.23 C ATOM 1379 OG1 THR A 90 7.374 -52.032 51.752 1.00 50.24 O ATOM 1380 CG2 THR A 90 9.508 -53.029 52.282 1.00 14.03 C ATOM 0 H THR A 90 8.017 -50.638 49.282 1.00 63.13 H new ATOM 0 HA THR A 90 9.577 -50.386 51.759 1.00 73.03 H new ATOM 0 HB THR A 90 8.616 -52.904 50.347 1.00 65.23 H new ATOM 0 HG1 THR A 90 6.949 -52.881 51.994 1.00 50.24 H new ATOM 0 HG21 THR A 90 9.008 -53.963 52.539 1.00 14.03 H new ATOM 0 HG22 THR A 90 10.497 -53.246 51.878 1.00 14.03 H new ATOM 0 HG23 THR A 90 9.608 -52.413 53.176 1.00 14.03 H new TER 1388 THR A 90