USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 925 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 40 HIS : no HD1:sc= -4.94! C(o=-12!,f=-20!) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -0.202 F(o=-14,f=-12) USER MOD Set 1.3: A 60 MET CE :methyl -137:sc= -6.96! (180deg=-5.93!) USER MOD Set 2.1: A 8 GLN : amide:sc= -0.0109 X(o=-1.8,f=-1.8) USER MOD Set 2.2: A 10 ASN : amide:sc= -1.78 K(o=-1.8,f=-5!) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.00684 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 42:sc= 0.252 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00266 K(o=-0.0027,f=-3.2!) USER MOD Single : A 21 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.2!) USER MOD Single : A 22 TYR OH : rot 15:sc= -0.0188 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 25 SER OG : rot 180:sc= -0.0858 USER MOD Single : A 26 GLN : amide:sc= -0.0801 X(o=-0.08,f=-0.38) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -68:sc= 0.977 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.164 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0717 USER MOD Single : A 64 ASN : amide:sc=-0.00228 X(o=-0.0023,f=0) USER MOD Single : A 70 MET CE :methyl 138:sc= -1.82 (180deg=-3.44!) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0133) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.28 K(o=-2.3,f=-15!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 58:sc= -0.0812 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.327 F(o=-1.6,f=-0.33) USER MOD Single : A 98 SER OG : rot -140:sc= -0.413 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.08) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.1) USER MOD Single : A 119 SER OG : rot 13:sc= 0.333 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 25:sc= 0.0287 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.412 -20.579 23.035 1.00 0.00 N ATOM 2 CA GLY A 1 -1.380 -20.500 21.584 1.00 0.00 C ATOM 3 C GLY A 1 -0.894 -19.125 21.121 1.00 0.00 C ATOM 4 O GLY A 1 -1.317 -18.101 21.655 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.303 -21.020 23.339 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.611 -21.152 23.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.345 -19.622 23.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.723 -21.274 21.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.376 -20.692 21.184 1.00 0.00 H new ATOM 8 N SER A 2 -0.013 -19.146 20.132 1.00 0.00 N ATOM 9 CA SER A 2 0.535 -17.914 19.590 1.00 0.00 C ATOM 10 C SER A 2 0.443 -17.928 18.063 1.00 0.00 C ATOM 11 O SER A 2 1.350 -18.413 17.387 1.00 0.00 O ATOM 12 CB SER A 2 1.986 -17.715 20.033 1.00 0.00 C ATOM 13 OG SER A 2 2.380 -16.347 19.969 1.00 0.00 O ATOM 0 H SER A 2 0.335 -19.997 19.691 1.00 0.00 H new ATOM 0 HA SER A 2 -0.051 -17.080 19.975 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.107 -18.080 21.053 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.643 -18.312 19.401 1.00 0.00 H new ATOM 0 HG SER A 2 3.311 -16.261 20.261 1.00 0.00 H new ATOM 19 N SER A 3 -0.660 -17.390 17.563 1.00 0.00 N ATOM 20 CA SER A 3 -0.881 -17.334 16.128 1.00 0.00 C ATOM 21 C SER A 3 -1.051 -18.748 15.569 1.00 0.00 C ATOM 22 O SER A 3 -0.538 -19.710 16.139 1.00 0.00 O ATOM 23 CB SER A 3 0.271 -16.618 15.420 1.00 0.00 C ATOM 24 OG SER A 3 -0.108 -16.141 14.133 1.00 0.00 O ATOM 0 H SER A 3 -1.410 -16.989 18.126 1.00 0.00 H new ATOM 0 HA SER A 3 -1.793 -16.766 15.945 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.609 -15.781 16.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.115 -17.300 15.320 1.00 0.00 H new ATOM 0 HG SER A 3 0.654 -15.689 13.714 1.00 0.00 H new ATOM 30 N GLY A 4 -1.773 -18.829 14.461 1.00 0.00 N ATOM 31 CA GLY A 4 -2.016 -20.110 13.819 1.00 0.00 C ATOM 32 C GLY A 4 -1.065 -20.321 12.640 1.00 0.00 C ATOM 33 O GLY A 4 -1.008 -19.498 11.728 1.00 0.00 O ATOM 0 H GLY A 4 -2.197 -18.029 13.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.887 -20.914 14.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.048 -20.157 13.471 1.00 0.00 H new ATOM 37 N SER A 5 -0.341 -21.430 12.696 1.00 0.00 N ATOM 38 CA SER A 5 0.605 -21.760 11.644 1.00 0.00 C ATOM 39 C SER A 5 -0.087 -21.700 10.281 1.00 0.00 C ATOM 40 O SER A 5 -0.827 -22.613 9.915 1.00 0.00 O ATOM 41 CB SER A 5 1.216 -23.145 11.868 1.00 0.00 C ATOM 42 OG SER A 5 2.616 -23.159 11.602 1.00 0.00 O ATOM 0 H SER A 5 -0.391 -22.111 13.454 1.00 0.00 H new ATOM 0 HA SER A 5 1.412 -21.028 11.667 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.039 -23.457 12.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.717 -23.870 11.225 1.00 0.00 H new ATOM 0 HG SER A 5 2.970 -24.060 11.758 1.00 0.00 H new ATOM 48 N SER A 6 0.178 -20.617 9.566 1.00 0.00 N ATOM 49 CA SER A 6 -0.410 -20.426 8.250 1.00 0.00 C ATOM 50 C SER A 6 0.663 -19.973 7.259 1.00 0.00 C ATOM 51 O SER A 6 1.711 -19.468 7.660 1.00 0.00 O ATOM 52 CB SER A 6 -1.551 -19.408 8.300 1.00 0.00 C ATOM 53 OG SER A 6 -2.790 -20.013 8.661 1.00 0.00 O ATOM 0 H SER A 6 0.792 -19.862 9.872 1.00 0.00 H new ATOM 0 HA SER A 6 -0.823 -21.378 7.918 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.307 -18.625 9.018 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.652 -18.928 7.327 1.00 0.00 H new ATOM 0 HG SER A 6 -3.493 -19.331 8.684 1.00 0.00 H new ATOM 59 N GLY A 7 0.365 -20.169 5.983 1.00 0.00 N ATOM 60 CA GLY A 7 1.291 -19.787 4.930 1.00 0.00 C ATOM 61 C GLY A 7 0.773 -18.571 4.159 1.00 0.00 C ATOM 62 O GLY A 7 -0.210 -18.669 3.427 1.00 0.00 O ATOM 0 H GLY A 7 -0.505 -20.588 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.265 -19.560 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.433 -20.623 4.245 1.00 0.00 H new ATOM 66 N GLN A 8 1.458 -17.454 4.350 1.00 0.00 N ATOM 67 CA GLN A 8 1.080 -16.220 3.681 1.00 0.00 C ATOM 68 C GLN A 8 1.933 -16.013 2.428 1.00 0.00 C ATOM 69 O GLN A 8 1.421 -16.055 1.310 1.00 0.00 O ATOM 70 CB GLN A 8 1.197 -15.025 4.628 1.00 0.00 C ATOM 71 CG GLN A 8 -0.181 -14.443 4.950 1.00 0.00 C ATOM 72 CD GLN A 8 -0.060 -13.214 5.854 1.00 0.00 C ATOM 73 OE1 GLN A 8 0.362 -13.292 6.997 1.00 0.00 O ATOM 74 NE2 GLN A 8 -0.452 -12.080 5.281 1.00 0.00 N ATOM 0 H GLN A 8 2.273 -17.377 4.959 1.00 0.00 H new ATOM 0 HA GLN A 8 0.036 -16.299 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.690 -15.334 5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.823 -14.257 4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.689 -14.170 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.794 -15.200 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.795 -12.086 4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.410 -11.204 5.802 1.00 0.00 H new ATOM 83 N LYS A 9 3.219 -15.793 2.656 1.00 0.00 N ATOM 84 CA LYS A 9 4.148 -15.579 1.559 1.00 0.00 C ATOM 85 C LYS A 9 3.817 -14.254 0.868 1.00 0.00 C ATOM 86 O LYS A 9 3.323 -14.245 -0.258 1.00 0.00 O ATOM 87 CB LYS A 9 4.148 -16.782 0.614 1.00 0.00 C ATOM 88 CG LYS A 9 5.473 -16.884 -0.144 1.00 0.00 C ATOM 89 CD LYS A 9 6.475 -17.754 0.619 1.00 0.00 C ATOM 90 CE LYS A 9 7.590 -16.900 1.227 1.00 0.00 C ATOM 91 NZ LYS A 9 8.648 -16.640 0.225 1.00 0.00 N ATOM 0 H LYS A 9 3.640 -15.758 3.584 1.00 0.00 H new ATOM 0 HA LYS A 9 5.168 -15.498 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.979 -17.696 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.325 -16.692 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.299 -17.306 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.889 -15.888 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.960 -18.302 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.906 -18.495 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.179 -15.956 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.016 -17.409 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.397 -16.059 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.051 -17.543 -0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.240 -16.135 -0.587 1.00 0.00 H new ATOM 105 N ASN A 10 4.103 -13.169 1.571 1.00 0.00 N ATOM 106 CA ASN A 10 3.842 -11.842 1.039 1.00 0.00 C ATOM 107 C ASN A 10 4.215 -10.794 2.090 1.00 0.00 C ATOM 108 O ASN A 10 3.697 -10.816 3.205 1.00 0.00 O ATOM 109 CB ASN A 10 2.361 -11.666 0.701 1.00 0.00 C ATOM 110 CG ASN A 10 1.512 -11.605 1.972 1.00 0.00 C ATOM 111 OD1 ASN A 10 1.706 -12.353 2.916 1.00 0.00 O ATOM 112 ND2 ASN A 10 0.562 -10.675 1.944 1.00 0.00 N ATOM 0 H ASN A 10 4.513 -13.181 2.505 1.00 0.00 H new ATOM 0 HA ASN A 10 4.436 -11.719 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.222 -10.753 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.026 -12.493 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.058 -10.555 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.453 -10.081 1.122 1.00 0.00 H new ATOM 119 N PRO A 11 5.135 -9.877 1.685 1.00 0.00 N ATOM 120 CA PRO A 11 5.584 -8.823 2.579 1.00 0.00 C ATOM 121 C PRO A 11 4.516 -7.737 2.726 1.00 0.00 C ATOM 122 O PRO A 11 4.113 -7.404 3.839 1.00 0.00 O ATOM 123 CB PRO A 11 6.874 -8.307 1.963 1.00 0.00 C ATOM 124 CG PRO A 11 6.857 -8.767 0.514 1.00 0.00 C ATOM 125 CD PRO A 11 5.771 -9.821 0.372 1.00 0.00 C ATOM 0 HA PRO A 11 5.758 -9.179 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.930 -7.220 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.743 -8.703 2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.662 -7.926 -0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.827 -9.178 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.055 -9.550 -0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.191 -10.788 0.094 1.00 0.00 H new ATOM 133 N ASP A 12 4.088 -7.215 1.585 1.00 0.00 N ATOM 134 CA ASP A 12 3.075 -6.174 1.573 1.00 0.00 C ATOM 135 C ASP A 12 2.800 -5.753 0.128 1.00 0.00 C ATOM 136 O ASP A 12 3.585 -6.055 -0.770 1.00 0.00 O ATOM 137 CB ASP A 12 3.544 -4.939 2.344 1.00 0.00 C ATOM 138 CG ASP A 12 4.868 -4.342 1.865 1.00 0.00 C ATOM 139 OD1 ASP A 12 5.871 -5.088 1.894 1.00 0.00 O ATOM 140 OD2 ASP A 12 4.848 -3.153 1.480 1.00 0.00 O ATOM 0 H ASP A 12 4.424 -7.494 0.663 1.00 0.00 H new ATOM 0 HA ASP A 12 2.177 -6.573 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.772 -4.173 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.641 -5.202 3.397 1.00 0.00 H new ATOM 145 N SER A 13 1.684 -5.061 -0.052 1.00 0.00 N ATOM 146 CA SER A 13 1.297 -4.595 -1.372 1.00 0.00 C ATOM 147 C SER A 13 1.596 -5.673 -2.416 1.00 0.00 C ATOM 148 O SER A 13 2.634 -5.632 -3.076 1.00 0.00 O ATOM 149 CB SER A 13 2.018 -3.295 -1.731 1.00 0.00 C ATOM 150 OG SER A 13 3.420 -3.377 -1.490 1.00 0.00 O ATOM 0 H SER A 13 1.036 -4.812 0.695 1.00 0.00 H new ATOM 0 HA SER A 13 0.226 -4.394 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.844 -3.062 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.598 -2.475 -1.149 1.00 0.00 H new ATOM 0 HG SER A 13 3.754 -4.247 -1.794 1.00 0.00 H new ATOM 156 N TYR A 14 0.669 -6.612 -2.533 1.00 0.00 N ATOM 157 CA TYR A 14 0.821 -7.699 -3.486 1.00 0.00 C ATOM 158 C TYR A 14 -0.470 -7.919 -4.277 1.00 0.00 C ATOM 159 O TYR A 14 -0.483 -7.786 -5.500 1.00 0.00 O ATOM 160 CB TYR A 14 1.115 -8.950 -2.655 1.00 0.00 C ATOM 161 CG TYR A 14 2.183 -9.863 -3.261 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.054 -10.307 -4.561 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.275 -10.242 -2.507 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.059 -11.166 -5.132 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.280 -11.101 -3.078 1.00 0.00 C ATOM 166 CZ TYR A 14 4.122 -11.521 -4.362 1.00 0.00 C ATOM 167 OH TYR A 14 5.072 -12.332 -4.900 1.00 0.00 O ATOM 0 H TYR A 14 -0.190 -6.643 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 14 1.613 -7.475 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.435 -8.645 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.193 -9.518 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.199 -10.010 -5.151 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.376 -9.895 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.970 -11.520 -6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.140 -11.405 -2.500 1.00 0.00 H new ATOM 0 HH TYR A 14 5.772 -12.501 -4.236 1.00 0.00 H new ATOM 177 N ASN A 15 -1.525 -8.251 -3.547 1.00 0.00 N ATOM 178 CA ASN A 15 -2.817 -8.490 -4.166 1.00 0.00 C ATOM 179 C ASN A 15 -3.821 -7.455 -3.655 1.00 0.00 C ATOM 180 O ASN A 15 -3.997 -7.297 -2.448 1.00 0.00 O ATOM 181 CB ASN A 15 -3.349 -9.880 -3.810 1.00 0.00 C ATOM 182 CG ASN A 15 -2.613 -10.967 -4.596 1.00 0.00 C ATOM 183 OD1 ASN A 15 -1.447 -10.842 -4.935 1.00 0.00 O ATOM 184 ND2 ASN A 15 -3.355 -12.036 -4.865 1.00 0.00 N ATOM 0 H ASN A 15 -1.511 -8.360 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.693 -8.417 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.230 -10.056 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.416 -9.931 -4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.955 -12.817 -5.385 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.325 -12.076 -4.552 1.00 0.00 H new ATOM 191 N GLY A 16 -4.455 -6.775 -4.600 1.00 0.00 N ATOM 192 CA GLY A 16 -5.437 -5.759 -4.262 1.00 0.00 C ATOM 193 C GLY A 16 -4.858 -4.746 -3.271 1.00 0.00 C ATOM 194 O GLY A 16 -3.742 -4.917 -2.784 1.00 0.00 O ATOM 0 H GLY A 16 -4.307 -6.908 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.760 -5.244 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.320 -6.231 -3.831 1.00 0.00 H new ATOM 198 N ALA A 17 -5.644 -3.714 -3.004 1.00 0.00 N ATOM 199 CA ALA A 17 -5.224 -2.673 -2.081 1.00 0.00 C ATOM 200 C ALA A 17 -4.054 -1.898 -2.691 1.00 0.00 C ATOM 201 O ALA A 17 -3.556 -2.256 -3.757 1.00 0.00 O ATOM 202 CB ALA A 17 -4.867 -3.301 -0.732 1.00 0.00 C ATOM 0 H ALA A 17 -6.569 -3.576 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.034 -1.964 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.552 -2.521 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.739 -3.815 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.055 -4.016 -0.867 1.00 0.00 H new ATOM 208 N VAL A 18 -3.650 -0.850 -1.988 1.00 0.00 N ATOM 209 CA VAL A 18 -2.548 -0.022 -2.447 1.00 0.00 C ATOM 210 C VAL A 18 -2.789 0.378 -3.904 1.00 0.00 C ATOM 211 O VAL A 18 -3.729 -0.101 -4.535 1.00 0.00 O ATOM 212 CB VAL A 18 -1.221 -0.753 -2.239 1.00 0.00 C ATOM 213 CG1 VAL A 18 -1.118 -1.973 -3.156 1.00 0.00 C ATOM 214 CG2 VAL A 18 -0.035 0.191 -2.447 1.00 0.00 C ATOM 0 H VAL A 18 -4.066 -0.556 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.492 0.896 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.191 -1.105 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.165 -2.475 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.934 -2.662 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.181 -1.653 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.896 -0.355 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.059 0.588 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.095 1.014 -1.734 1.00 0.00 H new ATOM 224 N ARG A 19 -1.922 1.251 -4.396 1.00 0.00 N ATOM 225 CA ARG A 19 -2.028 1.720 -5.767 1.00 0.00 C ATOM 226 C ARG A 19 -0.876 2.673 -6.093 1.00 0.00 C ATOM 227 O ARG A 19 -0.005 2.907 -5.257 1.00 0.00 O ATOM 228 CB ARG A 19 -3.358 2.439 -6.001 1.00 0.00 C ATOM 229 CG ARG A 19 -3.842 2.242 -7.439 1.00 0.00 C ATOM 230 CD ARG A 19 -5.282 1.727 -7.468 1.00 0.00 C ATOM 231 NE ARG A 19 -6.183 2.772 -8.005 1.00 0.00 N ATOM 232 CZ ARG A 19 -7.430 2.540 -8.435 1.00 0.00 C ATOM 233 NH1 ARG A 19 -7.934 1.299 -8.393 1.00 0.00 N ATOM 234 NH2 ARG A 19 -8.175 3.549 -8.907 1.00 0.00 N ATOM 0 H ARG A 19 -1.143 1.646 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.979 0.849 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.107 2.060 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.241 3.503 -5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.779 3.186 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.189 1.536 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.344 0.830 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.597 1.445 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.832 3.729 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.368 0.531 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.884 1.123 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.792 4.494 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.125 3.372 -9.234 1.00 0.00 H new ATOM 248 N GLU A 20 -0.910 3.197 -7.309 1.00 0.00 N ATOM 249 CA GLU A 20 0.120 4.119 -7.756 1.00 0.00 C ATOM 250 C GLU A 20 -0.240 5.551 -7.355 1.00 0.00 C ATOM 251 O GLU A 20 -0.645 6.352 -8.197 1.00 0.00 O ATOM 252 CB GLU A 20 0.336 4.010 -9.266 1.00 0.00 C ATOM 253 CG GLU A 20 1.595 3.200 -9.582 1.00 0.00 C ATOM 254 CD GLU A 20 1.238 1.769 -9.991 1.00 0.00 C ATOM 255 OE1 GLU A 20 0.627 1.623 -11.072 1.00 0.00 O ATOM 256 OE2 GLU A 20 1.584 0.854 -9.213 1.00 0.00 O ATOM 0 H GLU A 20 -1.635 3.001 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 20 1.057 3.851 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.531 3.537 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.423 5.007 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.151 3.684 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.248 3.181 -8.709 1.00 0.00 H new ATOM 263 N ASN A 21 -0.081 5.831 -6.070 1.00 0.00 N ATOM 264 CA ASN A 21 -0.384 7.152 -5.548 1.00 0.00 C ATOM 265 C ASN A 21 -0.204 7.150 -4.029 1.00 0.00 C ATOM 266 O ASN A 21 0.608 7.904 -3.495 1.00 0.00 O ATOM 267 CB ASN A 21 -1.831 7.546 -5.852 1.00 0.00 C ATOM 268 CG ASN A 21 -1.900 8.943 -6.473 1.00 0.00 C ATOM 269 OD1 ASN A 21 -0.897 9.556 -6.798 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.137 9.408 -6.619 1.00 0.00 N ATOM 0 H ASN A 21 0.254 5.165 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 21 0.291 7.864 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.274 6.819 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.419 7.523 -4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.290 10.331 -7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.933 8.842 -6.325 1.00 0.00 H new ATOM 277 N TYR A 22 -0.974 6.293 -3.375 1.00 0.00 N ATOM 278 CA TYR A 22 -0.910 6.182 -1.928 1.00 0.00 C ATOM 279 C TYR A 22 -1.339 4.788 -1.465 1.00 0.00 C ATOM 280 O TYR A 22 -2.360 4.268 -1.914 1.00 0.00 O ATOM 281 CB TYR A 22 -1.898 7.214 -1.382 1.00 0.00 C ATOM 282 CG TYR A 22 -3.358 6.928 -1.739 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.075 5.997 -1.015 1.00 0.00 C ATOM 284 CD2 TYR A 22 -3.958 7.601 -2.784 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.449 5.728 -1.351 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.332 7.331 -3.120 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.010 6.408 -2.387 1.00 0.00 C ATOM 288 OH TYR A 22 -7.307 6.153 -2.704 1.00 0.00 O ATOM 0 H TYR A 22 -1.646 5.669 -3.821 1.00 0.00 H new ATOM 0 HA TYR A 22 0.108 6.350 -1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.801 7.256 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.627 8.198 -1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.606 5.471 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.397 8.330 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.022 5.002 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.813 7.850 -3.936 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.733 5.664 -1.970 1.00 0.00 H new ATOM 298 N THR A 23 -0.538 4.223 -0.574 1.00 0.00 N ATOM 299 CA THR A 23 -0.822 2.899 -0.045 1.00 0.00 C ATOM 300 C THR A 23 -1.764 2.996 1.157 1.00 0.00 C ATOM 301 O THR A 23 -1.811 4.023 1.832 1.00 0.00 O ATOM 302 CB THR A 23 0.511 2.224 0.280 1.00 0.00 C ATOM 303 OG1 THR A 23 1.287 2.399 -0.903 1.00 0.00 O ATOM 304 CG2 THR A 23 0.380 0.706 0.418 1.00 0.00 C ATOM 0 H THR A 23 0.308 4.657 -0.205 1.00 0.00 H new ATOM 0 HA THR A 23 -1.344 2.283 -0.778 1.00 0.00 H new ATOM 0 HB THR A 23 0.912 2.640 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.170 1.992 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.355 0.276 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.319 0.473 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.011 0.286 -0.518 1.00 0.00 H new ATOM 312 N TRP A 24 -2.490 1.912 1.388 1.00 0.00 N ATOM 313 CA TRP A 24 -3.427 1.862 2.497 1.00 0.00 C ATOM 314 C TRP A 24 -3.703 0.391 2.817 1.00 0.00 C ATOM 315 O TRP A 24 -3.442 -0.486 1.995 1.00 0.00 O ATOM 316 CB TRP A 24 -4.697 2.652 2.178 1.00 0.00 C ATOM 317 CG TRP A 24 -5.802 1.818 1.526 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.028 1.624 0.219 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.829 1.068 2.208 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.120 0.807 0.010 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.623 0.458 1.258 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.079 0.910 3.583 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.720 -0.350 1.580 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.178 0.098 3.888 1.00 0.00 C ATOM 325 CH2 TRP A 24 -8.988 -0.522 2.944 1.00 0.00 C ATOM 0 H TRP A 24 -2.448 1.062 0.826 1.00 0.00 H new ATOM 0 HA TRP A 24 -3.003 2.337 3.381 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.082 3.089 3.099 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.441 3.479 1.515 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.430 2.053 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.490 0.513 -0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.471 1.378 4.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.327 -0.816 0.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.413 -0.058 4.931 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.820 -1.133 3.261 1.00 0.00 H new ATOM 336 N SER A 25 -4.226 0.167 4.013 1.00 0.00 N ATOM 337 CA SER A 25 -4.540 -1.183 4.451 1.00 0.00 C ATOM 338 C SER A 25 -5.712 -1.154 5.434 1.00 0.00 C ATOM 339 O SER A 25 -5.987 -0.125 6.048 1.00 0.00 O ATOM 340 CB SER A 25 -3.323 -1.849 5.096 1.00 0.00 C ATOM 341 OG SER A 25 -2.155 -1.722 4.290 1.00 0.00 O ATOM 0 H SER A 25 -4.440 0.897 4.693 1.00 0.00 H new ATOM 0 HA SER A 25 -4.821 -1.770 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.140 -1.401 6.073 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.534 -2.905 5.264 1.00 0.00 H new ATOM 0 HG SER A 25 -1.400 -2.159 4.737 1.00 0.00 H new ATOM 347 N GLN A 26 -6.372 -2.297 5.552 1.00 0.00 N ATOM 348 CA GLN A 26 -7.508 -2.417 6.450 1.00 0.00 C ATOM 349 C GLN A 26 -7.170 -3.349 7.614 1.00 0.00 C ATOM 350 O GLN A 26 -6.736 -4.481 7.402 1.00 0.00 O ATOM 351 CB GLN A 26 -8.750 -2.904 5.700 1.00 0.00 C ATOM 352 CG GLN A 26 -8.544 -4.321 5.161 1.00 0.00 C ATOM 353 CD GLN A 26 -9.516 -5.304 5.817 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.688 -5.024 6.009 1.00 0.00 O ATOM 355 NE2 GLN A 26 -8.965 -6.468 6.150 1.00 0.00 N ATOM 0 H GLN A 26 -6.141 -3.149 5.040 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.731 -1.430 6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.612 -2.886 6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.971 -2.226 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.688 -4.328 4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.518 -4.639 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.977 -6.637 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.530 -7.191 6.595 1.00 0.00 H new ATOM 364 N ASP A 27 -7.381 -2.840 8.819 1.00 0.00 N ATOM 365 CA ASP A 27 -7.103 -3.614 10.017 1.00 0.00 C ATOM 366 C ASP A 27 -8.416 -3.906 10.746 1.00 0.00 C ATOM 367 O ASP A 27 -9.477 -3.441 10.332 1.00 0.00 O ATOM 368 CB ASP A 27 -6.194 -2.840 10.974 1.00 0.00 C ATOM 369 CG ASP A 27 -4.856 -2.397 10.378 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.298 -3.186 9.585 1.00 0.00 O ATOM 371 OD2 ASP A 27 -4.421 -1.278 10.728 1.00 0.00 O ATOM 0 H ASP A 27 -7.741 -1.901 8.991 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.607 -4.537 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.729 -1.957 11.325 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.998 -3.462 11.847 1.00 0.00 H new ATOM 376 N TYR A 28 -8.302 -4.674 11.819 1.00 0.00 N ATOM 377 CA TYR A 28 -9.467 -5.034 12.610 1.00 0.00 C ATOM 378 C TYR A 28 -10.452 -3.867 12.697 1.00 0.00 C ATOM 379 O TYR A 28 -11.604 -3.990 12.284 1.00 0.00 O ATOM 380 CB TYR A 28 -8.944 -5.350 14.012 1.00 0.00 C ATOM 381 CG TYR A 28 -9.658 -6.519 14.694 1.00 0.00 C ATOM 382 CD1 TYR A 28 -9.697 -7.756 14.082 1.00 0.00 C ATOM 383 CD2 TYR A 28 -10.263 -6.337 15.921 1.00 0.00 C ATOM 384 CE1 TYR A 28 -10.369 -8.856 14.724 1.00 0.00 C ATOM 385 CE2 TYR A 28 -10.936 -7.437 16.562 1.00 0.00 C ATOM 386 CZ TYR A 28 -10.955 -8.642 15.932 1.00 0.00 C ATOM 387 OH TYR A 28 -11.590 -9.681 16.538 1.00 0.00 O ATOM 0 H TYR A 28 -7.420 -5.057 12.160 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.991 -5.877 12.160 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.879 -5.575 13.949 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.046 -4.462 14.635 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.224 -7.899 13.122 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.232 -5.370 16.400 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.407 -9.829 14.257 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.415 -7.308 17.521 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.961 -9.383 17.395 1.00 0.00 H new ATOM 397 N THR A 29 -9.963 -2.760 13.237 1.00 0.00 N ATOM 398 CA THR A 29 -10.785 -1.572 13.383 1.00 0.00 C ATOM 399 C THR A 29 -9.928 -0.311 13.258 1.00 0.00 C ATOM 400 O THR A 29 -9.762 0.430 14.226 1.00 0.00 O ATOM 401 CB THR A 29 -11.528 -1.672 14.717 1.00 0.00 C ATOM 402 OG1 THR A 29 -12.030 -0.356 14.935 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.583 -1.910 15.897 1.00 0.00 C ATOM 0 H THR A 29 -9.007 -2.662 13.579 1.00 0.00 H new ATOM 0 HA THR A 29 -11.526 -1.504 12.586 1.00 0.00 H new ATOM 0 HB THR A 29 -12.257 -2.481 14.666 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.282 0.257 15.097 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.161 -1.973 16.819 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.039 -2.842 15.745 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.875 -1.084 15.968 1.00 0.00 H new ATOM 411 N ASP A 30 -9.406 -0.105 12.058 1.00 0.00 N ATOM 412 CA ASP A 30 -8.570 1.054 11.794 1.00 0.00 C ATOM 413 C ASP A 30 -7.963 0.931 10.395 1.00 0.00 C ATOM 414 O ASP A 30 -8.024 -0.132 9.779 1.00 0.00 O ATOM 415 CB ASP A 30 -7.422 1.145 12.801 1.00 0.00 C ATOM 416 CG ASP A 30 -7.170 2.543 13.369 1.00 0.00 C ATOM 417 OD1 ASP A 30 -6.660 3.386 12.599 1.00 0.00 O ATOM 418 OD2 ASP A 30 -7.493 2.738 14.561 1.00 0.00 O ATOM 0 H ASP A 30 -9.546 -0.721 11.257 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.193 1.945 11.875 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.629 0.465 13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.509 0.794 12.321 1.00 0.00 H new ATOM 423 N LEU A 31 -7.391 2.034 9.934 1.00 0.00 N ATOM 424 CA LEU A 31 -6.773 2.063 8.619 1.00 0.00 C ATOM 425 C LEU A 31 -5.399 2.728 8.721 1.00 0.00 C ATOM 426 O LEU A 31 -5.134 3.474 9.662 1.00 0.00 O ATOM 427 CB LEU A 31 -7.705 2.728 7.604 1.00 0.00 C ATOM 428 CG LEU A 31 -9.186 2.362 7.713 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.879 3.193 8.795 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.884 2.490 6.357 1.00 0.00 C ATOM 0 H LEU A 31 -7.343 2.914 10.448 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.610 1.050 8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.610 3.809 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.361 2.472 6.602 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.258 1.317 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.931 2.913 8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.402 3.008 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.798 4.252 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.936 2.224 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.803 3.517 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.411 1.820 5.639 1.00 0.00 H new ATOM 442 N GLU A 32 -4.561 2.433 7.738 1.00 0.00 N ATOM 443 CA GLU A 32 -3.220 2.993 7.705 1.00 0.00 C ATOM 444 C GLU A 32 -2.802 3.283 6.262 1.00 0.00 C ATOM 445 O GLU A 32 -2.504 2.363 5.501 1.00 0.00 O ATOM 446 CB GLU A 32 -2.219 2.060 8.389 1.00 0.00 C ATOM 447 CG GLU A 32 -1.608 2.724 9.625 1.00 0.00 C ATOM 448 CD GLU A 32 -0.650 1.770 10.342 1.00 0.00 C ATOM 449 OE1 GLU A 32 0.437 1.525 9.776 1.00 0.00 O ATOM 450 OE2 GLU A 32 -1.028 1.307 11.440 1.00 0.00 O ATOM 0 H GLU A 32 -4.784 1.814 6.959 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.226 3.933 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.717 1.135 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.429 1.791 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.074 3.628 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.401 3.030 10.307 1.00 0.00 H new ATOM 457 N VAL A 33 -2.792 4.566 5.929 1.00 0.00 N ATOM 458 CA VAL A 33 -2.415 4.988 4.591 1.00 0.00 C ATOM 459 C VAL A 33 -1.116 5.794 4.662 1.00 0.00 C ATOM 460 O VAL A 33 -1.045 6.803 5.361 1.00 0.00 O ATOM 461 CB VAL A 33 -3.564 5.763 3.943 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.346 6.561 4.990 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.050 6.677 2.829 1.00 0.00 C ATOM 0 H VAL A 33 -3.039 5.326 6.563 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.226 4.122 3.957 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.245 5.040 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.157 7.103 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.760 5.879 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.679 7.270 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.887 7.216 2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.338 7.390 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.559 6.077 2.063 1.00 0.00 H new ATOM 473 N ARG A 34 -0.120 5.317 3.929 1.00 0.00 N ATOM 474 CA ARG A 34 1.172 5.980 3.901 1.00 0.00 C ATOM 475 C ARG A 34 1.418 6.605 2.526 1.00 0.00 C ATOM 476 O ARG A 34 1.222 5.955 1.501 1.00 0.00 O ATOM 477 CB ARG A 34 2.302 4.999 4.217 1.00 0.00 C ATOM 478 CG ARG A 34 2.574 4.940 5.721 1.00 0.00 C ATOM 479 CD ARG A 34 2.063 3.628 6.320 1.00 0.00 C ATOM 480 NE ARG A 34 3.192 2.855 6.882 1.00 0.00 N ATOM 481 CZ ARG A 34 3.974 2.037 6.164 1.00 0.00 C ATOM 482 NH1 ARG A 34 3.754 1.881 4.852 1.00 0.00 N ATOM 483 NH2 ARG A 34 4.976 1.376 6.759 1.00 0.00 N ATOM 0 H ARG A 34 -0.182 4.479 3.350 1.00 0.00 H new ATOM 0 HA ARG A 34 1.161 6.760 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.039 4.006 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.208 5.301 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.644 5.035 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.090 5.782 6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.330 3.836 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.556 3.042 5.554 1.00 0.00 H new ATOM 0 HE ARG A 34 3.388 2.951 7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.991 2.385 4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.349 1.258 4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.143 1.495 7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.571 0.753 6.213 1.00 0.00 H new ATOM 497 N VAL A 35 1.844 7.860 2.549 1.00 0.00 N ATOM 498 CA VAL A 35 2.119 8.579 1.317 1.00 0.00 C ATOM 499 C VAL A 35 3.619 8.863 1.221 1.00 0.00 C ATOM 500 O VAL A 35 4.211 9.413 2.148 1.00 0.00 O ATOM 501 CB VAL A 35 1.265 9.847 1.250 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.211 10.397 -0.177 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.143 9.589 1.792 1.00 0.00 C ATOM 0 H VAL A 35 2.005 8.397 3.401 1.00 0.00 H new ATOM 0 HA VAL A 35 1.847 7.973 0.452 1.00 0.00 H new ATOM 0 HB VAL A 35 1.734 10.601 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.598 11.298 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.220 10.637 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.777 9.648 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.729 10.506 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.625 8.812 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.079 9.265 2.831 1.00 0.00 H new ATOM 513 N PRO A 36 4.206 8.465 0.060 1.00 0.00 N ATOM 514 CA PRO A 36 5.626 8.671 -0.169 1.00 0.00 C ATOM 515 C PRO A 36 5.924 10.139 -0.481 1.00 0.00 C ATOM 516 O PRO A 36 5.201 10.773 -1.249 1.00 0.00 O ATOM 517 CB PRO A 36 5.979 7.737 -1.315 1.00 0.00 C ATOM 518 CG PRO A 36 4.662 7.388 -1.989 1.00 0.00 C ATOM 519 CD PRO A 36 3.536 7.811 -1.060 1.00 0.00 C ATOM 0 HA PRO A 36 6.230 8.448 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.661 8.219 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.480 6.841 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.577 7.898 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.608 6.318 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.845 8.490 -1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.954 6.952 -0.726 1.00 0.00 H new ATOM 527 N VAL A 37 6.989 10.637 0.130 1.00 0.00 N ATOM 528 CA VAL A 37 7.391 12.018 -0.074 1.00 0.00 C ATOM 529 C VAL A 37 8.808 12.053 -0.649 1.00 0.00 C ATOM 530 O VAL A 37 9.563 11.093 -0.506 1.00 0.00 O ATOM 531 CB VAL A 37 7.257 12.800 1.235 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.816 12.768 1.748 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.228 12.270 2.292 1.00 0.00 C ATOM 0 H VAL A 37 7.586 10.109 0.766 1.00 0.00 H new ATOM 0 HA VAL A 37 6.736 12.504 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 37 7.517 13.839 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.749 13.331 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.155 13.215 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.516 11.735 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.112 12.843 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.013 11.220 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.251 12.369 1.929 1.00 0.00 H new ATOM 543 N PRO A 38 9.135 13.200 -1.303 1.00 0.00 N ATOM 544 CA PRO A 38 10.448 13.372 -1.901 1.00 0.00 C ATOM 545 C PRO A 38 11.507 13.641 -0.829 1.00 0.00 C ATOM 546 O PRO A 38 11.187 13.736 0.355 1.00 0.00 O ATOM 547 CB PRO A 38 10.287 14.524 -2.879 1.00 0.00 C ATOM 548 CG PRO A 38 9.021 15.254 -2.459 1.00 0.00 C ATOM 549 CD PRO A 38 8.266 14.358 -1.491 1.00 0.00 C ATOM 0 HA PRO A 38 10.797 12.477 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.150 15.188 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.206 14.159 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.268 16.205 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.405 15.481 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.075 14.867 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.298 14.065 -1.896 1.00 0.00 H new ATOM 557 N LYS A 39 12.746 13.757 -1.283 1.00 0.00 N ATOM 558 CA LYS A 39 13.854 14.013 -0.378 1.00 0.00 C ATOM 559 C LYS A 39 13.977 15.520 -0.145 1.00 0.00 C ATOM 560 O LYS A 39 14.977 15.988 0.398 1.00 0.00 O ATOM 561 CB LYS A 39 15.136 13.365 -0.904 1.00 0.00 C ATOM 562 CG LYS A 39 14.818 12.152 -1.780 1.00 0.00 C ATOM 563 CD LYS A 39 14.910 12.509 -3.265 1.00 0.00 C ATOM 564 CE LYS A 39 16.353 12.411 -3.764 1.00 0.00 C ATOM 565 NZ LYS A 39 16.381 12.105 -5.212 1.00 0.00 N ATOM 0 H LYS A 39 13.007 13.678 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 39 13.668 13.554 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.706 14.094 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.763 13.059 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.512 11.343 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.817 11.786 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.275 11.838 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.534 13.520 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.874 13.349 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.883 11.635 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.368 12.042 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.902 11.198 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.893 12.860 -5.736 1.00 0.00 H new ATOM 579 N HIS A 40 12.947 16.238 -0.565 1.00 0.00 N ATOM 580 CA HIS A 40 12.927 17.683 -0.409 1.00 0.00 C ATOM 581 C HIS A 40 11.807 18.080 0.555 1.00 0.00 C ATOM 582 O HIS A 40 11.644 19.257 0.872 1.00 0.00 O ATOM 583 CB HIS A 40 12.813 18.375 -1.768 1.00 0.00 C ATOM 584 CG HIS A 40 11.407 18.420 -2.318 1.00 0.00 C ATOM 585 ND1 HIS A 40 10.975 17.592 -3.340 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.341 19.200 -1.978 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.705 17.870 -3.595 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.314 18.867 -2.751 1.00 0.00 N ATOM 0 H HIS A 40 12.119 15.846 -1.014 1.00 0.00 H new ATOM 0 HA HIS A 40 13.869 18.018 0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.190 19.394 -1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.455 17.859 -2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.334 19.960 -1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.088 17.391 -4.341 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.385 19.288 -2.719 1.00 0.00 H new ATOM 596 N VAL A 41 11.064 17.074 0.994 1.00 0.00 N ATOM 597 CA VAL A 41 9.964 17.304 1.915 1.00 0.00 C ATOM 598 C VAL A 41 10.385 16.873 3.322 1.00 0.00 C ATOM 599 O VAL A 41 10.558 15.684 3.585 1.00 0.00 O ATOM 600 CB VAL A 41 8.708 16.584 1.420 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.684 16.432 2.546 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.099 17.309 0.218 1.00 0.00 C ATOM 0 H VAL A 41 11.202 16.099 0.729 1.00 0.00 H new ATOM 0 HA VAL A 41 9.718 18.365 1.959 1.00 0.00 H new ATOM 0 HB VAL A 41 9.000 15.585 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.801 15.917 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.121 15.853 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.399 17.418 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.208 16.777 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.829 18.325 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.826 17.342 -0.594 1.00 0.00 H new ATOM 612 N VAL A 42 10.536 17.863 4.189 1.00 0.00 N ATOM 613 CA VAL A 42 10.933 17.601 5.562 1.00 0.00 C ATOM 614 C VAL A 42 9.990 18.344 6.511 1.00 0.00 C ATOM 615 O VAL A 42 9.579 17.801 7.535 1.00 0.00 O ATOM 616 CB VAL A 42 12.402 17.977 5.763 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.323 17.001 5.029 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.665 19.418 5.320 1.00 0.00 C ATOM 0 H VAL A 42 10.391 18.848 3.968 1.00 0.00 H new ATOM 0 HA VAL A 42 10.850 16.538 5.788 1.00 0.00 H new ATOM 0 HB VAL A 42 12.622 17.909 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.362 17.291 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.165 15.993 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.100 17.022 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.717 19.660 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.419 19.525 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.047 20.098 5.907 1.00 0.00 H new ATOM 628 N LYS A 43 9.676 19.576 6.138 1.00 0.00 N ATOM 629 CA LYS A 43 8.790 20.399 6.943 1.00 0.00 C ATOM 630 C LYS A 43 7.339 20.007 6.659 1.00 0.00 C ATOM 631 O LYS A 43 7.021 19.537 5.568 1.00 0.00 O ATOM 632 CB LYS A 43 9.082 21.884 6.713 1.00 0.00 C ATOM 633 CG LYS A 43 10.558 22.197 6.965 1.00 0.00 C ATOM 634 CD LYS A 43 11.191 22.873 5.746 1.00 0.00 C ATOM 635 CE LYS A 43 12.428 23.679 6.147 1.00 0.00 C ATOM 636 NZ LYS A 43 12.322 25.071 5.656 1.00 0.00 N ATOM 0 H LYS A 43 10.020 20.024 5.289 1.00 0.00 H new ATOM 0 HA LYS A 43 8.966 20.223 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.818 22.156 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.460 22.487 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.652 22.846 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.095 21.276 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.467 22.118 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.463 23.530 5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.534 23.677 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.323 23.210 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.170 25.604 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.243 25.068 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.479 25.521 6.066 1.00 0.00 H new ATOM 650 N GLY A 44 6.496 20.215 7.660 1.00 0.00 N ATOM 651 CA GLY A 44 5.086 19.890 7.532 1.00 0.00 C ATOM 652 C GLY A 44 4.330 21.002 6.803 1.00 0.00 C ATOM 653 O GLY A 44 3.155 20.847 6.474 1.00 0.00 O ATOM 0 H GLY A 44 6.763 20.605 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.973 18.952 6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.653 19.739 8.521 1.00 0.00 H new ATOM 657 N LYS A 45 5.036 22.100 6.572 1.00 0.00 N ATOM 658 CA LYS A 45 4.446 23.238 5.888 1.00 0.00 C ATOM 659 C LYS A 45 4.513 23.010 4.376 1.00 0.00 C ATOM 660 O LYS A 45 3.861 23.716 3.609 1.00 0.00 O ATOM 661 CB LYS A 45 5.109 24.539 6.343 1.00 0.00 C ATOM 662 CG LYS A 45 6.504 24.687 5.732 1.00 0.00 C ATOM 663 CD LYS A 45 6.927 26.157 5.679 1.00 0.00 C ATOM 664 CE LYS A 45 8.374 26.328 6.143 1.00 0.00 C ATOM 665 NZ LYS A 45 8.968 27.547 5.549 1.00 0.00 N ATOM 0 H LYS A 45 6.010 22.225 6.846 1.00 0.00 H new ATOM 0 HA LYS A 45 3.392 23.335 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.489 25.388 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.181 24.554 7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.225 24.119 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.511 24.267 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.821 26.533 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.266 26.752 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.408 26.392 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.960 25.454 5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.951 27.648 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.953 27.471 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.419 28.380 5.843 1.00 0.00 H new ATOM 679 N GLN A 46 5.308 22.021 3.994 1.00 0.00 N ATOM 680 CA GLN A 46 5.469 21.691 2.588 1.00 0.00 C ATOM 681 C GLN A 46 4.333 20.778 2.124 1.00 0.00 C ATOM 682 O GLN A 46 4.041 20.701 0.931 1.00 0.00 O ATOM 683 CB GLN A 46 6.832 21.046 2.329 1.00 0.00 C ATOM 684 CG GLN A 46 7.966 21.936 2.842 1.00 0.00 C ATOM 685 CD GLN A 46 9.172 21.882 1.902 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.348 20.703 1.314 1.00 0.00 O flip ATOM 687 NE2 GLN A 46 9.896 22.848 1.724 1.00 0.00 N flip ATOM 0 H GLN A 46 5.847 21.438 4.634 1.00 0.00 H new ATOM 0 HA GLN A 46 5.425 22.614 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.877 20.074 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.958 20.870 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.615 22.964 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.263 21.614 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.704 23.725 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.693 22.778 1.091 1.00 0.00 H new ATOM 696 N VAL A 47 3.722 20.108 3.090 1.00 0.00 N ATOM 697 CA VAL A 47 2.625 19.203 2.795 1.00 0.00 C ATOM 698 C VAL A 47 1.340 19.743 3.426 1.00 0.00 C ATOM 699 O VAL A 47 1.384 20.406 4.461 1.00 0.00 O ATOM 700 CB VAL A 47 2.972 17.788 3.265 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.529 16.949 2.113 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.952 17.826 4.440 1.00 0.00 C ATOM 0 H VAL A 47 3.966 20.174 4.078 1.00 0.00 H new ATOM 0 HA VAL A 47 2.459 19.143 1.719 1.00 0.00 H new ATOM 0 HB VAL A 47 2.053 17.314 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.767 15.948 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.785 16.881 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.432 17.419 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.182 16.808 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.870 18.327 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.503 18.370 5.271 1.00 0.00 H new ATOM 712 N SER A 48 0.226 19.440 2.776 1.00 0.00 N ATOM 713 CA SER A 48 -1.069 19.887 3.260 1.00 0.00 C ATOM 714 C SER A 48 -1.920 18.683 3.666 1.00 0.00 C ATOM 715 O SER A 48 -1.996 17.697 2.935 1.00 0.00 O ATOM 716 CB SER A 48 -1.796 20.718 2.201 1.00 0.00 C ATOM 717 OG SER A 48 -0.888 21.431 1.366 1.00 0.00 O ATOM 0 H SER A 48 0.194 18.890 1.918 1.00 0.00 H new ATOM 0 HA SER A 48 -0.908 20.520 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.414 20.063 1.588 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.467 21.423 2.691 1.00 0.00 H new ATOM 0 HG SER A 48 -1.391 21.948 0.702 1.00 0.00 H new ATOM 723 N VAL A 49 -2.540 18.802 4.831 1.00 0.00 N ATOM 724 CA VAL A 49 -3.383 17.735 5.343 1.00 0.00 C ATOM 725 C VAL A 49 -4.704 18.328 5.839 1.00 0.00 C ATOM 726 O VAL A 49 -4.708 19.302 6.590 1.00 0.00 O ATOM 727 CB VAL A 49 -2.637 16.952 6.425 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.580 15.998 7.161 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.447 16.195 5.831 1.00 0.00 C ATOM 0 H VAL A 49 -2.475 19.621 5.435 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.622 17.024 4.552 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.252 17.668 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.024 15.454 7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.380 16.569 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.009 15.291 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.934 15.647 6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.802 15.495 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.757 16.904 5.374 1.00 0.00 H new ATOM 739 N ALA A 50 -5.793 17.716 5.398 1.00 0.00 N ATOM 740 CA ALA A 50 -7.117 18.171 5.787 1.00 0.00 C ATOM 741 C ALA A 50 -7.908 16.993 6.359 1.00 0.00 C ATOM 742 O ALA A 50 -8.077 15.972 5.694 1.00 0.00 O ATOM 743 CB ALA A 50 -7.812 18.811 4.584 1.00 0.00 C ATOM 0 H ALA A 50 -5.786 16.909 4.775 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.048 18.931 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.805 19.152 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.225 19.660 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.902 18.077 3.783 1.00 0.00 H new ATOM 749 N LEU A 51 -8.373 17.175 7.587 1.00 0.00 N ATOM 750 CA LEU A 51 -9.143 16.140 8.256 1.00 0.00 C ATOM 751 C LEU A 51 -10.505 16.706 8.663 1.00 0.00 C ATOM 752 O LEU A 51 -10.577 17.687 9.401 1.00 0.00 O ATOM 753 CB LEU A 51 -8.348 15.550 9.423 1.00 0.00 C ATOM 754 CG LEU A 51 -7.022 14.878 9.059 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.202 14.572 10.314 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.256 13.629 8.208 1.00 0.00 C ATOM 0 H LEU A 51 -8.231 18.023 8.135 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.333 15.308 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.144 16.347 10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.976 14.818 9.932 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.440 15.574 8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.264 14.095 10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.990 15.500 10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.767 13.903 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.298 13.171 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.866 12.918 8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.771 13.907 7.288 1.00 0.00 H new ATOM 768 N SER A 52 -11.551 16.063 8.165 1.00 0.00 N ATOM 769 CA SER A 52 -12.906 16.490 8.468 1.00 0.00 C ATOM 770 C SER A 52 -13.694 15.333 9.084 1.00 0.00 C ATOM 771 O SER A 52 -14.083 15.393 10.249 1.00 0.00 O ATOM 772 CB SER A 52 -13.614 17.006 7.213 1.00 0.00 C ATOM 773 OG SER A 52 -13.413 18.404 7.024 1.00 0.00 O ATOM 0 H SER A 52 -11.487 15.249 7.553 1.00 0.00 H new ATOM 0 HA SER A 52 -12.854 17.308 9.186 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.246 16.466 6.341 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.682 16.800 7.288 1.00 0.00 H new ATOM 0 HG SER A 52 -13.879 18.695 6.212 1.00 0.00 H new ATOM 779 N SER A 53 -13.906 14.306 8.274 1.00 0.00 N ATOM 780 CA SER A 53 -14.641 13.137 8.726 1.00 0.00 C ATOM 781 C SER A 53 -14.788 12.136 7.578 1.00 0.00 C ATOM 782 O SER A 53 -14.489 10.953 7.739 1.00 0.00 O ATOM 783 CB SER A 53 -16.017 13.526 9.269 1.00 0.00 C ATOM 784 OG SER A 53 -16.858 14.069 8.254 1.00 0.00 O ATOM 0 H SER A 53 -13.582 14.259 7.308 1.00 0.00 H new ATOM 0 HA SER A 53 -14.079 12.673 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.495 12.649 9.706 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.898 14.256 10.070 1.00 0.00 H new ATOM 0 HG SER A 53 -17.728 14.303 8.640 1.00 0.00 H new ATOM 790 N SER A 54 -15.247 12.646 6.445 1.00 0.00 N ATOM 791 CA SER A 54 -15.437 11.811 5.271 1.00 0.00 C ATOM 792 C SER A 54 -14.672 12.398 4.083 1.00 0.00 C ATOM 793 O SER A 54 -15.115 12.291 2.940 1.00 0.00 O ATOM 794 CB SER A 54 -16.922 11.672 4.928 1.00 0.00 C ATOM 795 OG SER A 54 -17.266 10.333 4.581 1.00 0.00 O ATOM 0 H SER A 54 -15.493 13.627 6.315 1.00 0.00 H new ATOM 0 HA SER A 54 -15.048 10.817 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.522 11.992 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.166 12.336 4.099 1.00 0.00 H new ATOM 0 HG SER A 54 -18.222 10.285 4.370 1.00 0.00 H new ATOM 801 N SER A 55 -13.535 13.004 4.393 1.00 0.00 N ATOM 802 CA SER A 55 -12.704 13.607 3.365 1.00 0.00 C ATOM 803 C SER A 55 -11.244 13.633 3.821 1.00 0.00 C ATOM 804 O SER A 55 -10.964 13.690 5.018 1.00 0.00 O ATOM 805 CB SER A 55 -13.180 15.022 3.032 1.00 0.00 C ATOM 806 OG SER A 55 -13.907 15.609 4.108 1.00 0.00 O ATOM 0 H SER A 55 -13.170 13.090 5.342 1.00 0.00 H new ATOM 0 HA SER A 55 -12.786 13.003 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.319 15.647 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.810 14.993 2.143 1.00 0.00 H new ATOM 0 HG SER A 55 -14.192 16.512 3.856 1.00 0.00 H new ATOM 812 N ILE A 56 -10.351 13.589 2.844 1.00 0.00 N ATOM 813 CA ILE A 56 -8.926 13.607 3.130 1.00 0.00 C ATOM 814 C ILE A 56 -8.184 14.263 1.964 1.00 0.00 C ATOM 815 O ILE A 56 -8.607 14.153 0.814 1.00 0.00 O ATOM 816 CB ILE A 56 -8.429 12.198 3.461 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.972 12.226 3.926 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.634 11.252 2.276 1.00 0.00 C ATOM 819 CD1 ILE A 56 -6.018 12.353 2.736 1.00 0.00 C ATOM 0 H ILE A 56 -10.586 13.541 1.853 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.723 14.209 4.016 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.024 11.811 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.821 13.062 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.746 11.316 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.272 10.258 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.695 11.200 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.081 11.624 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.989 12.371 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.155 11.503 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.230 13.276 2.197 1.00 0.00 H new ATOM 831 N ARG A 57 -7.090 14.930 2.301 1.00 0.00 N ATOM 832 CA ARG A 57 -6.285 15.604 1.296 1.00 0.00 C ATOM 833 C ARG A 57 -4.800 15.504 1.651 1.00 0.00 C ATOM 834 O ARG A 57 -4.415 15.737 2.796 1.00 0.00 O ATOM 835 CB ARG A 57 -6.676 17.078 1.175 1.00 0.00 C ATOM 836 CG ARG A 57 -6.080 17.701 -0.089 1.00 0.00 C ATOM 837 CD ARG A 57 -5.930 19.216 0.065 1.00 0.00 C ATOM 838 NE ARG A 57 -6.442 19.901 -1.143 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.094 21.143 -1.506 1.00 0.00 C ATOM 840 NH1 ARG A 57 -5.233 21.844 -0.757 1.00 0.00 N ATOM 841 NH2 ARG A 57 -6.609 21.685 -2.618 1.00 0.00 N ATOM 0 H ARG A 57 -6.742 15.018 3.256 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.467 15.112 0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.762 17.169 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.328 17.623 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.107 17.255 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.719 17.480 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.476 19.556 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.882 19.472 0.222 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.101 19.396 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.842 21.432 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.969 22.789 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.266 21.152 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.344 22.630 -2.894 1.00 0.00 H new ATOM 855 N VAL A 58 -4.007 15.158 0.648 1.00 0.00 N ATOM 856 CA VAL A 58 -2.573 15.024 0.840 1.00 0.00 C ATOM 857 C VAL A 58 -1.843 15.662 -0.344 1.00 0.00 C ATOM 858 O VAL A 58 -1.840 15.114 -1.445 1.00 0.00 O ATOM 859 CB VAL A 58 -2.207 13.553 1.045 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.716 13.396 1.351 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.062 12.924 2.147 1.00 0.00 C ATOM 0 H VAL A 58 -4.330 14.966 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.257 15.552 1.740 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.415 13.023 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.483 12.341 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.131 13.789 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.471 13.947 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.782 11.878 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.900 13.458 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.115 12.987 1.871 1.00 0.00 H new ATOM 871 N ALA A 59 -1.241 16.812 -0.076 1.00 0.00 N ATOM 872 CA ALA A 59 -0.508 17.530 -1.106 1.00 0.00 C ATOM 873 C ALA A 59 0.893 17.864 -0.590 1.00 0.00 C ATOM 874 O ALA A 59 1.126 17.882 0.618 1.00 0.00 O ATOM 875 CB ALA A 59 -1.293 18.779 -1.513 1.00 0.00 C ATOM 0 H ALA A 59 -1.246 17.264 0.838 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.392 16.912 -1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.744 19.318 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.269 18.485 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.426 19.424 -0.645 1.00 0.00 H new ATOM 881 N MET A 60 1.789 18.121 -1.531 1.00 0.00 N ATOM 882 CA MET A 60 3.161 18.454 -1.186 1.00 0.00 C ATOM 883 C MET A 60 3.698 19.568 -2.087 1.00 0.00 C ATOM 884 O MET A 60 3.356 19.636 -3.267 1.00 0.00 O ATOM 885 CB MET A 60 4.040 17.210 -1.334 1.00 0.00 C ATOM 886 CG MET A 60 3.948 16.638 -2.749 1.00 0.00 C ATOM 887 SD MET A 60 5.572 16.178 -3.330 1.00 0.00 S ATOM 888 CE MET A 60 6.416 17.742 -3.160 1.00 0.00 C ATOM 0 H MET A 60 1.592 18.105 -2.532 1.00 0.00 H new ATOM 0 HA MET A 60 3.182 18.805 -0.154 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.076 17.463 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.731 16.454 -0.612 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.291 15.769 -2.756 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.508 17.376 -3.420 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.034 17.919 -4.040 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.683 18.543 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.047 17.720 -2.272 1.00 0.00 H new ATOM 898 N LEU A 61 4.529 20.414 -1.496 1.00 0.00 N ATOM 899 CA LEU A 61 5.117 21.522 -2.231 1.00 0.00 C ATOM 900 C LEU A 61 6.210 20.990 -3.160 1.00 0.00 C ATOM 901 O LEU A 61 7.092 20.251 -2.726 1.00 0.00 O ATOM 902 CB LEU A 61 5.603 22.606 -1.266 1.00 0.00 C ATOM 903 CG LEU A 61 4.512 23.381 -0.524 1.00 0.00 C ATOM 904 CD1 LEU A 61 5.035 24.735 -0.040 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.258 23.526 -1.388 1.00 0.00 C ATOM 0 H LEU A 61 4.809 20.355 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 61 4.368 22.001 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.257 22.141 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.210 23.318 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 61 4.229 22.810 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.240 25.266 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.875 24.580 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.363 25.325 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.499 24.081 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.507 24.063 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.874 22.538 -1.640 1.00 0.00 H new ATOM 917 N GLU A 62 6.115 21.387 -4.420 1.00 0.00 N ATOM 918 CA GLU A 62 7.085 20.959 -5.414 1.00 0.00 C ATOM 919 C GLU A 62 8.167 22.026 -5.593 1.00 0.00 C ATOM 920 O GLU A 62 9.341 21.776 -5.326 1.00 0.00 O ATOM 921 CB GLU A 62 6.402 20.642 -6.746 1.00 0.00 C ATOM 922 CG GLU A 62 5.846 19.216 -6.750 1.00 0.00 C ATOM 923 CD GLU A 62 6.830 18.246 -7.408 1.00 0.00 C ATOM 924 OE1 GLU A 62 8.042 18.403 -7.146 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.347 17.370 -8.157 1.00 0.00 O ATOM 0 H GLU A 62 5.382 22.000 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 62 7.559 20.044 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.594 21.352 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.115 20.761 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.645 18.897 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.896 19.194 -7.284 1.00 0.00 H new ATOM 932 N GLU A 63 7.732 23.194 -6.044 1.00 0.00 N ATOM 933 CA GLU A 63 8.649 24.300 -6.263 1.00 0.00 C ATOM 934 C GLU A 63 7.870 25.595 -6.502 1.00 0.00 C ATOM 935 O GLU A 63 7.750 26.426 -5.603 1.00 0.00 O ATOM 936 CB GLU A 63 9.595 24.006 -7.428 1.00 0.00 C ATOM 937 CG GLU A 63 10.992 23.639 -6.922 1.00 0.00 C ATOM 938 CD GLU A 63 11.653 22.607 -7.837 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.046 21.528 -8.008 1.00 0.00 O ATOM 940 OE2 GLU A 63 12.751 22.921 -8.346 1.00 0.00 O ATOM 0 H GLU A 63 6.757 23.398 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 63 9.258 24.425 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.195 23.188 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.658 24.878 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.611 24.535 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.923 23.241 -5.909 1.00 0.00 H new ATOM 947 N ASN A 64 7.362 25.727 -7.718 1.00 0.00 N ATOM 948 CA ASN A 64 6.598 26.907 -8.087 1.00 0.00 C ATOM 949 C ASN A 64 5.160 26.754 -7.589 1.00 0.00 C ATOM 950 O ASN A 64 4.391 27.714 -7.598 1.00 0.00 O ATOM 951 CB ASN A 64 6.557 27.083 -9.606 1.00 0.00 C ATOM 952 CG ASN A 64 7.282 28.363 -10.029 1.00 0.00 C ATOM 953 OD1 ASN A 64 8.484 28.506 -9.876 1.00 0.00 O ATOM 954 ND2 ASN A 64 6.486 29.282 -10.569 1.00 0.00 N ATOM 0 H ASN A 64 7.464 25.036 -8.461 1.00 0.00 H new ATOM 0 HA ASN A 64 7.079 27.775 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.020 26.222 -10.088 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.521 27.119 -9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.874 30.171 -10.884 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.488 29.098 -10.668 1.00 0.00 H new ATOM 961 N GLY A 65 4.839 25.539 -7.168 1.00 0.00 N ATOM 962 CA GLY A 65 3.506 25.248 -6.668 1.00 0.00 C ATOM 963 C GLY A 65 3.520 24.025 -5.749 1.00 0.00 C ATOM 964 O GLY A 65 4.372 23.915 -4.869 1.00 0.00 O ATOM 0 H GLY A 65 5.479 24.745 -7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.121 26.111 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.830 25.071 -7.505 1.00 0.00 H new ATOM 968 N GLU A 66 2.567 23.136 -5.986 1.00 0.00 N ATOM 969 CA GLU A 66 2.459 21.924 -5.191 1.00 0.00 C ATOM 970 C GLU A 66 1.709 20.843 -5.971 1.00 0.00 C ATOM 971 O GLU A 66 1.229 21.089 -7.076 1.00 0.00 O ATOM 972 CB GLU A 66 1.777 22.207 -3.851 1.00 0.00 C ATOM 973 CG GLU A 66 0.254 22.218 -4.002 1.00 0.00 C ATOM 974 CD GLU A 66 -0.188 23.269 -5.023 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.356 24.392 -4.953 1.00 0.00 O ATOM 976 OE2 GLU A 66 -1.059 22.925 -5.850 1.00 0.00 O ATOM 0 H GLU A 66 1.862 23.230 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 66 3.464 21.560 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.068 21.449 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.114 23.168 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.091 21.233 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.209 22.425 -3.037 1.00 0.00 H new ATOM 983 N ARG A 67 1.631 19.667 -5.364 1.00 0.00 N ATOM 984 CA ARG A 67 0.948 18.547 -5.988 1.00 0.00 C ATOM 985 C ARG A 67 0.113 17.791 -4.952 1.00 0.00 C ATOM 986 O ARG A 67 0.488 17.714 -3.784 1.00 0.00 O ATOM 987 CB ARG A 67 1.945 17.582 -6.631 1.00 0.00 C ATOM 988 CG ARG A 67 1.265 16.267 -7.017 1.00 0.00 C ATOM 989 CD ARG A 67 2.109 15.489 -8.030 1.00 0.00 C ATOM 990 NE ARG A 67 3.361 15.023 -7.393 1.00 0.00 N ATOM 991 CZ ARG A 67 4.156 14.074 -7.905 1.00 0.00 C ATOM 992 NH1 ARG A 67 3.834 13.483 -9.064 1.00 0.00 N ATOM 993 NH2 ARG A 67 5.273 13.714 -7.258 1.00 0.00 N ATOM 0 H ARG A 67 2.030 19.466 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 67 0.296 18.948 -6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.383 18.043 -7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.762 17.383 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.109 15.659 -6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.281 16.472 -7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.544 14.637 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.341 16.123 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 67 3.636 15.451 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.983 13.756 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.440 12.761 -9.454 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.518 14.163 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.878 12.991 -7.648 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.005 17.253 -5.419 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.896 16.506 -4.547 1.00 0.00 C ATOM 1009 C VAL A 68 -1.620 15.010 -4.704 1.00 0.00 C ATOM 1010 O VAL A 68 -2.125 14.375 -5.629 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.350 16.880 -4.842 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.315 15.977 -4.071 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.611 18.355 -4.531 1.00 0.00 C ATOM 0 H VAL A 68 -1.314 17.320 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.713 16.762 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.526 16.727 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.342 16.264 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.155 14.939 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.137 16.084 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.652 18.594 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.408 18.546 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.959 18.977 -5.144 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.818 14.489 -3.786 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.469 13.079 -3.811 1.00 0.00 C ATOM 1025 C LEU A 69 -1.743 12.240 -3.697 1.00 0.00 C ATOM 1026 O LEU A 69 -2.045 11.441 -4.582 1.00 0.00 O ATOM 1027 CB LEU A 69 0.572 12.766 -2.733 1.00 0.00 C ATOM 1028 CG LEU A 69 1.821 13.650 -2.730 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.705 13.346 -1.519 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.588 13.521 -4.047 1.00 0.00 C ATOM 0 H LEU A 69 -0.400 15.018 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.000 12.819 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.092 12.847 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.886 11.729 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 69 1.503 14.689 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.586 13.988 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.144 13.531 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.016 12.302 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.471 14.160 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.894 12.485 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.946 13.827 -4.873 1.00 0.00 H new ATOM 1042 N MET A 70 -2.456 12.450 -2.600 1.00 0.00 N ATOM 1043 CA MET A 70 -3.691 11.724 -2.359 1.00 0.00 C ATOM 1044 C MET A 70 -4.818 12.676 -1.954 1.00 0.00 C ATOM 1045 O MET A 70 -4.580 13.667 -1.265 1.00 0.00 O ATOM 1046 CB MET A 70 -3.469 10.693 -1.250 1.00 0.00 C ATOM 1047 CG MET A 70 -4.792 10.059 -0.818 1.00 0.00 C ATOM 1048 SD MET A 70 -4.490 8.773 0.383 1.00 0.00 S ATOM 1049 CE MET A 70 -6.168 8.280 0.738 1.00 0.00 C ATOM 0 H MET A 70 -2.202 13.113 -1.868 1.00 0.00 H new ATOM 0 HA MET A 70 -3.981 11.222 -3.282 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.788 9.918 -1.600 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.994 11.172 -0.393 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.447 10.819 -0.392 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.306 9.645 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.223 7.193 0.800 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.481 8.714 1.688 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.826 8.632 -0.056 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.020 12.342 -2.399 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.184 13.155 -2.091 1.00 0.00 C ATOM 1061 C GLU A 71 -8.460 12.455 -2.562 1.00 0.00 C ATOM 1062 O GLU A 71 -8.430 11.678 -3.516 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.061 14.547 -2.713 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.251 15.428 -2.327 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.473 15.105 -3.189 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.266 14.856 -4.397 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.587 15.115 -2.622 1.00 0.00 O ATOM 0 H GLU A 71 -6.213 11.519 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.239 13.280 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.134 15.016 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.005 14.461 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.493 15.278 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.985 16.478 -2.446 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.551 12.755 -1.873 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.835 12.164 -2.209 1.00 0.00 C ATOM 1076 C GLY A 72 -11.729 12.053 -0.972 1.00 0.00 C ATOM 1077 O GLY A 72 -11.233 11.961 0.150 1.00 0.00 O ATOM 0 H GLY A 72 -9.572 13.400 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.331 12.770 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.682 11.175 -2.641 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.030 12.065 -1.219 1.00 0.00 N ATOM 1082 CA LYS A 73 -13.998 11.967 -0.139 1.00 0.00 C ATOM 1083 C LYS A 73 -14.040 10.525 0.372 1.00 0.00 C ATOM 1084 O LYS A 73 -14.444 9.617 -0.352 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.359 12.500 -0.589 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.342 14.026 -0.698 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.473 14.524 -1.601 1.00 0.00 C ATOM 1088 CE LYS A 73 -15.993 15.661 -2.505 1.00 0.00 C ATOM 1089 NZ LYS A 73 -15.156 15.130 -3.605 1.00 0.00 N ATOM 0 H LYS A 73 -13.437 12.141 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.698 12.595 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.623 12.066 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.127 12.191 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.443 14.466 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.382 14.355 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.844 13.701 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.307 14.868 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.851 16.193 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.421 16.382 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.951 15.891 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.264 14.763 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.665 14.363 -4.089 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.617 10.360 1.617 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.602 9.045 2.234 1.00 0.00 C ATOM 1105 C LEU A 74 -14.941 8.350 1.978 1.00 0.00 C ATOM 1106 O LEU A 74 -15.885 8.974 1.496 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.238 9.152 3.716 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.861 9.740 4.028 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.811 10.295 5.453 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.756 8.713 3.775 1.00 0.00 C ATOM 0 H LEU A 74 -13.282 11.116 2.215 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.829 8.423 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.993 9.763 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.294 8.156 4.156 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.686 10.576 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.821 10.707 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.559 11.080 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.017 9.494 6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.787 9.157 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.916 7.842 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.776 8.407 2.729 1.00 0.00 H new ATOM 1122 N THR A 75 -14.979 7.069 2.311 1.00 0.00 N ATOM 1123 CA THR A 75 -16.187 6.283 2.123 1.00 0.00 C ATOM 1124 C THR A 75 -17.121 6.444 3.324 1.00 0.00 C ATOM 1125 O THR A 75 -18.338 6.519 3.163 1.00 0.00 O ATOM 1126 CB THR A 75 -15.772 4.833 1.867 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.070 4.458 3.049 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.726 4.710 0.757 1.00 0.00 C ATOM 0 H THR A 75 -14.193 6.555 2.710 1.00 0.00 H new ATOM 0 HA THR A 75 -16.755 6.631 1.260 1.00 0.00 H new ATOM 0 HB THR A 75 -16.652 4.246 1.603 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.767 3.530 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.467 3.661 0.616 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.132 5.111 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.833 5.270 1.035 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.515 6.493 4.502 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.277 6.645 5.730 1.00 0.00 C ATOM 1138 C HIS A 76 -16.663 7.758 6.581 1.00 0.00 C ATOM 1139 O HIS A 76 -15.608 8.293 6.243 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.375 5.313 6.476 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.507 4.429 6.011 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -19.839 4.764 6.183 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -18.493 3.222 5.377 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -20.584 3.794 5.673 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -19.747 2.839 5.174 1.00 0.00 N ATOM 0 H HIS A 76 -15.505 6.430 4.632 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.300 6.939 5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.435 4.773 6.359 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.498 5.513 7.540 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.610 2.671 5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.663 3.765 5.655 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -20.037 1.973 4.720 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.350 8.074 7.669 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.885 9.114 8.571 1.00 0.00 C ATOM 1155 C LYS A 77 -15.831 8.531 9.515 1.00 0.00 C ATOM 1156 O LYS A 77 -15.737 7.315 9.670 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.067 9.763 9.294 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.896 10.618 8.333 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.871 11.515 9.099 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.698 12.371 8.138 1.00 0.00 C ATOM 1161 NZ LYS A 77 -21.965 11.689 7.795 1.00 0.00 N ATOM 0 H LYS A 77 -18.225 7.628 7.946 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.403 9.916 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.697 8.990 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.701 10.382 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.233 11.232 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.449 9.972 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.535 10.901 9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.318 12.160 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.911 13.338 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.126 12.566 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.514 12.284 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.756 10.777 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.517 11.526 8.661 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.066 9.427 10.121 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.023 9.017 11.045 1.00 0.00 C ATOM 1177 C ILE A 78 -14.029 9.946 12.260 1.00 0.00 C ATOM 1178 O ILE A 78 -14.935 10.763 12.416 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.671 8.948 10.331 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.349 10.273 9.638 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.623 7.767 9.360 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.297 11.060 10.422 1.00 0.00 C ATOM 0 H ILE A 78 -15.148 10.435 9.990 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.216 8.009 11.413 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.897 8.780 11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.987 10.081 8.628 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.257 10.868 9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.652 7.741 8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.776 6.838 9.909 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.408 7.879 8.612 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.086 11.998 9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.672 11.272 11.423 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.382 10.472 10.494 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.009 9.790 13.090 1.00 0.00 N ATOM 1195 CA ASN A 79 -12.886 10.605 14.287 1.00 0.00 C ATOM 1196 C ASN A 79 -11.614 11.451 14.194 1.00 0.00 C ATOM 1197 O ASN A 79 -10.602 11.127 14.813 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.782 9.733 15.540 1.00 0.00 C ATOM 1199 CG ASN A 79 -12.927 10.575 16.808 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -11.959 11.020 17.403 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.187 10.769 17.188 1.00 0.00 N ATOM 0 H ASN A 79 -12.259 9.111 12.958 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.773 11.234 14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.556 8.966 15.518 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.822 9.217 15.550 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.389 11.319 18.023 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.951 10.368 16.644 1.00 0.00 H new ATOM 1208 N THR A 80 -11.708 12.520 13.416 1.00 0.00 N ATOM 1209 CA THR A 80 -10.578 13.415 13.234 1.00 0.00 C ATOM 1210 C THR A 80 -9.801 13.565 14.543 1.00 0.00 C ATOM 1211 O THR A 80 -8.571 13.535 14.546 1.00 0.00 O ATOM 1212 CB THR A 80 -11.109 14.742 12.688 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.089 15.143 13.641 1.00 0.00 O ATOM 1214 CG2 THR A 80 -11.902 14.565 11.391 1.00 0.00 C ATOM 0 H THR A 80 -12.549 12.786 12.905 1.00 0.00 H new ATOM 0 HA THR A 80 -9.866 13.012 12.514 1.00 0.00 H new ATOM 0 HB THR A 80 -10.275 15.423 12.515 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.483 15.997 13.365 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.256 15.536 11.046 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.260 14.121 10.630 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.755 13.911 11.572 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.550 13.722 15.625 1.00 0.00 N ATOM 1223 CA GLU A 81 -9.946 13.877 16.937 1.00 0.00 C ATOM 1224 C GLU A 81 -8.979 12.725 17.216 1.00 0.00 C ATOM 1225 O GLU A 81 -7.812 12.952 17.532 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.018 13.969 18.026 1.00 0.00 C ATOM 1227 CG GLU A 81 -11.776 15.295 17.939 1.00 0.00 C ATOM 1228 CD GLU A 81 -12.630 15.521 19.188 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -12.031 15.850 20.234 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -13.864 15.360 19.068 1.00 0.00 O ATOM 0 H GLU A 81 -11.570 13.745 15.619 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.382 14.810 16.948 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.717 13.139 17.924 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.553 13.875 19.008 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.068 16.116 17.825 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.412 15.297 17.054 1.00 0.00 H new ATOM 1237 N SER A 82 -9.500 11.513 17.088 1.00 0.00 N ATOM 1238 CA SER A 82 -8.697 10.325 17.322 1.00 0.00 C ATOM 1239 C SER A 82 -7.677 10.152 16.194 1.00 0.00 C ATOM 1240 O SER A 82 -6.585 9.631 16.415 1.00 0.00 O ATOM 1241 CB SER A 82 -9.577 9.079 17.437 1.00 0.00 C ATOM 1242 OG SER A 82 -9.606 8.567 18.766 1.00 0.00 O ATOM 0 H SER A 82 -10.468 11.329 16.825 1.00 0.00 H new ATOM 0 HA SER A 82 -8.167 10.451 18.266 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.591 9.321 17.119 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.206 8.309 16.760 1.00 0.00 H new ATOM 0 HG SER A 82 -10.180 7.773 18.798 1.00 0.00 H new ATOM 1248 N SER A 83 -8.070 10.600 15.010 1.00 0.00 N ATOM 1249 CA SER A 83 -7.204 10.501 13.848 1.00 0.00 C ATOM 1250 C SER A 83 -6.050 11.499 13.969 1.00 0.00 C ATOM 1251 O SER A 83 -6.257 12.649 14.352 1.00 0.00 O ATOM 1252 CB SER A 83 -7.986 10.747 12.556 1.00 0.00 C ATOM 1253 OG SER A 83 -9.134 9.909 12.459 1.00 0.00 O ATOM 0 H SER A 83 -8.976 11.032 14.831 1.00 0.00 H new ATOM 0 HA SER A 83 -6.799 9.490 13.808 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.295 11.791 12.513 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.335 10.571 11.699 1.00 0.00 H new ATOM 0 HG SER A 83 -9.712 10.055 13.237 1.00 0.00 H new ATOM 1259 N LEU A 84 -4.860 11.022 13.635 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.673 11.858 13.701 1.00 0.00 C ATOM 1261 C LEU A 84 -3.009 11.904 12.323 1.00 0.00 C ATOM 1262 O LEU A 84 -3.484 11.272 11.381 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.742 11.379 14.817 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.369 9.896 14.788 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.836 9.491 13.413 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -1.382 9.557 15.908 1.00 0.00 C ATOM 0 H LEU A 84 -4.692 10.067 13.318 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.942 12.882 13.959 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.824 11.965 14.774 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.214 11.596 15.775 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.273 9.313 14.967 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.578 8.432 13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.601 9.673 12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.948 10.079 13.179 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.133 8.497 15.865 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.475 10.148 15.784 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.835 9.785 16.873 1.00 0.00 H new ATOM 1278 N TRP A 85 -1.922 12.657 12.250 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.188 12.794 11.004 1.00 0.00 C ATOM 1280 C TRP A 85 0.183 13.391 11.325 1.00 0.00 C ATOM 1281 O TRP A 85 0.272 14.474 11.903 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.979 13.623 9.990 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.443 15.042 9.794 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.872 16.173 10.371 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.354 15.439 8.934 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.142 17.265 9.948 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.190 16.804 9.046 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.465 14.669 8.089 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.786 17.519 8.342 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.436 15.399 7.392 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.614 16.773 7.494 1.00 0.00 C ATOM 0 H TRP A 85 -1.531 13.179 13.034 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.042 11.821 10.534 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.972 13.107 9.030 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.018 13.680 10.314 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.687 16.223 11.078 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.276 18.232 10.243 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.354 13.600 7.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.895 18.588 8.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.093 14.856 6.729 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.387 17.264 6.922 1.00 0.00 H new ATOM 1302 N SER A 86 1.217 12.660 10.938 1.00 0.00 N ATOM 1303 CA SER A 86 2.580 13.104 11.177 1.00 0.00 C ATOM 1304 C SER A 86 3.392 13.023 9.883 1.00 0.00 C ATOM 1305 O SER A 86 3.380 11.999 9.202 1.00 0.00 O ATOM 1306 CB SER A 86 3.245 12.272 12.275 1.00 0.00 C ATOM 1307 OG SER A 86 2.774 12.626 13.573 1.00 0.00 O ATOM 0 H SER A 86 1.139 11.762 10.460 1.00 0.00 H new ATOM 0 HA SER A 86 2.548 14.140 11.513 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.052 11.214 12.095 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.325 12.411 12.231 1.00 0.00 H new ATOM 0 HG SER A 86 3.221 12.071 14.246 1.00 0.00 H new ATOM 1313 N LEU A 87 4.079 14.115 9.584 1.00 0.00 N ATOM 1314 CA LEU A 87 4.895 14.180 8.383 1.00 0.00 C ATOM 1315 C LEU A 87 6.314 13.709 8.711 1.00 0.00 C ATOM 1316 O LEU A 87 6.839 14.008 9.782 1.00 0.00 O ATOM 1317 CB LEU A 87 4.839 15.582 7.772 1.00 0.00 C ATOM 1318 CG LEU A 87 5.904 15.898 6.721 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.230 16.281 7.382 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.068 14.737 5.738 1.00 0.00 C ATOM 0 H LEU A 87 4.088 14.962 10.152 1.00 0.00 H new ATOM 0 HA LEU A 87 4.503 13.509 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.857 15.720 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.924 16.311 8.577 1.00 0.00 H new ATOM 0 HG LEU A 87 5.569 16.761 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.970 16.501 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.084 17.162 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.582 15.453 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.831 14.989 5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.369 13.841 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.121 14.553 5.230 1.00 0.00 H new ATOM 1332 N GLU A 88 6.893 12.981 7.768 1.00 0.00 N ATOM 1333 CA GLU A 88 8.241 12.465 7.943 1.00 0.00 C ATOM 1334 C GLU A 88 9.164 13.013 6.853 1.00 0.00 C ATOM 1335 O GLU A 88 8.810 13.010 5.675 1.00 0.00 O ATOM 1336 CB GLU A 88 8.246 10.936 7.949 1.00 0.00 C ATOM 1337 CG GLU A 88 7.406 10.388 9.104 1.00 0.00 C ATOM 1338 CD GLU A 88 8.089 9.184 9.756 1.00 0.00 C ATOM 1339 OE1 GLU A 88 8.898 9.421 10.679 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.787 8.054 9.316 1.00 0.00 O ATOM 0 H GLU A 88 6.454 12.736 6.880 1.00 0.00 H new ATOM 0 HA GLU A 88 8.615 12.800 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.855 10.564 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.270 10.573 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.251 11.169 9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.422 10.097 8.737 1.00 0.00 H new ATOM 1347 N PRO A 89 10.361 13.482 7.295 1.00 0.00 N ATOM 1348 CA PRO A 89 11.338 14.032 6.371 1.00 0.00 C ATOM 1349 C PRO A 89 12.028 12.920 5.577 1.00 0.00 C ATOM 1350 O PRO A 89 12.561 11.976 6.159 1.00 0.00 O ATOM 1351 CB PRO A 89 12.300 14.825 7.240 1.00 0.00 C ATOM 1352 CG PRO A 89 12.100 14.312 8.657 1.00 0.00 C ATOM 1353 CD PRO A 89 10.815 13.501 8.683 1.00 0.00 C ATOM 0 HA PRO A 89 10.886 14.673 5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.330 14.681 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.092 15.893 7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.946 13.696 8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.041 15.144 9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.991 12.492 9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.072 13.957 9.337 1.00 0.00 H new ATOM 1361 N GLY A 90 11.996 13.069 4.261 1.00 0.00 N ATOM 1362 CA GLY A 90 12.611 12.090 3.382 1.00 0.00 C ATOM 1363 C GLY A 90 12.108 10.679 3.695 1.00 0.00 C ATOM 1364 O GLY A 90 12.889 9.730 3.724 1.00 0.00 O ATOM 0 H GLY A 90 11.553 13.853 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.388 12.337 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.695 12.126 3.493 1.00 0.00 H new ATOM 1368 N LYS A 91 10.805 10.586 3.920 1.00 0.00 N ATOM 1369 CA LYS A 91 10.189 9.308 4.230 1.00 0.00 C ATOM 1370 C LYS A 91 8.819 9.230 3.554 1.00 0.00 C ATOM 1371 O LYS A 91 8.730 9.031 2.343 1.00 0.00 O ATOM 1372 CB LYS A 91 10.141 9.089 5.744 1.00 0.00 C ATOM 1373 CG LYS A 91 11.463 8.514 6.256 1.00 0.00 C ATOM 1374 CD LYS A 91 11.620 8.756 7.759 1.00 0.00 C ATOM 1375 CE LYS A 91 13.097 8.781 8.159 1.00 0.00 C ATOM 1376 NZ LYS A 91 13.289 8.125 9.471 1.00 0.00 N ATOM 0 H LYS A 91 10.160 11.375 3.894 1.00 0.00 H new ATOM 0 HA LYS A 91 10.789 8.490 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.933 10.034 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.325 8.410 5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.503 7.444 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.295 8.973 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.150 9.702 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.103 7.973 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.694 8.274 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.450 9.811 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.296 8.150 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.735 8.626 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.971 7.136 9.415 1.00 0.00 H new ATOM 1390 N CYS A 92 7.784 9.391 4.366 1.00 0.00 N ATOM 1391 CA CYS A 92 6.422 9.342 3.861 1.00 0.00 C ATOM 1392 C CYS A 92 5.496 9.945 4.919 1.00 0.00 C ATOM 1393 O CYS A 92 5.944 10.318 6.002 1.00 0.00 O ATOM 1394 CB CYS A 92 6.009 7.917 3.486 1.00 0.00 C ATOM 1395 SG CYS A 92 6.716 6.726 4.681 1.00 0.00 S ATOM 0 H CYS A 92 7.861 9.555 5.370 1.00 0.00 H new ATOM 0 HA CYS A 92 6.350 9.924 2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.922 7.835 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.354 7.683 2.479 1.00 0.00 H new ATOM 0 HG CYS A 92 6.358 5.520 4.355 1.00 0.00 H new ATOM 1401 N VAL A 93 4.220 10.023 4.567 1.00 0.00 N ATOM 1402 CA VAL A 93 3.227 10.574 5.473 1.00 0.00 C ATOM 1403 C VAL A 93 2.491 9.431 6.173 1.00 0.00 C ATOM 1404 O VAL A 93 2.260 8.379 5.578 1.00 0.00 O ATOM 1405 CB VAL A 93 2.288 11.512 4.711 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.125 11.962 5.598 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.050 12.716 4.153 1.00 0.00 C ATOM 0 H VAL A 93 3.852 9.714 3.667 1.00 0.00 H new ATOM 0 HA VAL A 93 3.707 11.173 6.247 1.00 0.00 H new ATOM 0 HB VAL A 93 1.873 10.959 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.473 12.628 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.558 11.090 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.514 12.489 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.360 13.367 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.507 13.270 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.827 12.371 3.471 1.00 0.00 H new ATOM 1417 N LEU A 94 2.142 9.675 7.428 1.00 0.00 N ATOM 1418 CA LEU A 94 1.436 8.678 8.216 1.00 0.00 C ATOM 1419 C LEU A 94 0.154 9.294 8.779 1.00 0.00 C ATOM 1420 O LEU A 94 0.192 10.355 9.400 1.00 0.00 O ATOM 1421 CB LEU A 94 2.358 8.091 9.286 1.00 0.00 C ATOM 1422 CG LEU A 94 1.833 6.853 10.018 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.503 7.150 10.712 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.730 5.658 9.068 1.00 0.00 C ATOM 0 H LEU A 94 2.335 10.548 7.919 1.00 0.00 H new ATOM 0 HA LEU A 94 1.137 7.838 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.309 7.836 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.564 8.866 10.025 1.00 0.00 H new ATOM 0 HG LEU A 94 2.549 6.586 10.795 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.152 6.254 11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.642 7.952 11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.234 7.456 9.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.355 4.792 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.047 5.899 8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.715 5.431 8.660 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.951 8.602 8.542 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.242 9.067 9.018 1.00 0.00 C ATOM 1438 C VAL A 95 -3.018 7.889 9.610 1.00 0.00 C ATOM 1439 O VAL A 95 -2.973 6.781 9.077 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.995 9.771 7.886 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.415 10.139 8.319 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.230 11.005 7.404 1.00 0.00 C ATOM 0 H VAL A 95 -0.978 7.722 8.026 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.113 9.803 9.812 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.070 9.076 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.928 10.638 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.959 9.234 8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.371 10.808 9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.786 11.487 6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.109 11.704 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.249 10.704 7.037 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.711 8.168 10.704 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.495 7.144 11.375 1.00 0.00 C ATOM 1454 C ASN A 96 -5.974 7.535 11.336 1.00 0.00 C ATOM 1455 O ASN A 96 -6.346 8.614 11.793 1.00 0.00 O ATOM 1456 CB ASN A 96 -4.081 7.005 12.841 1.00 0.00 C ATOM 1457 CG ASN A 96 -3.067 5.873 13.019 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.883 6.114 12.463 1.00 0.00 O flip ATOM 1459 ND2 ASN A 96 -3.342 4.848 13.621 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.746 9.088 11.143 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.325 6.198 10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.650 7.943 13.191 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.961 6.810 13.454 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.271 4.727 14.024 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.643 4.112 13.721 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.776 6.635 10.787 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.206 6.871 10.683 1.00 0.00 C ATOM 1468 C LEU A 97 -8.937 6.013 11.717 1.00 0.00 C ATOM 1469 O LEU A 97 -8.932 4.786 11.626 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.684 6.645 9.247 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.220 7.676 8.216 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -9.100 7.635 6.965 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -8.160 9.077 8.829 1.00 0.00 C ATOM 0 H LEU A 97 -6.463 5.741 10.409 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.438 7.911 10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.347 5.660 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.774 6.625 9.247 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.208 7.417 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.749 8.377 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.047 6.643 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.132 7.855 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.827 9.790 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.150 9.361 9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.460 9.079 9.664 1.00 0.00 H new ATOM 1485 N SER A 98 -9.549 6.691 12.676 1.00 0.00 N ATOM 1486 CA SER A 98 -10.283 6.005 13.726 1.00 0.00 C ATOM 1487 C SER A 98 -11.754 5.865 13.330 1.00 0.00 C ATOM 1488 O SER A 98 -12.522 6.820 13.431 1.00 0.00 O ATOM 1489 CB SER A 98 -10.161 6.747 15.059 1.00 0.00 C ATOM 1490 OG SER A 98 -9.192 6.150 15.916 1.00 0.00 O ATOM 0 H SER A 98 -9.552 7.708 12.748 1.00 0.00 H new ATOM 0 HA SER A 98 -9.851 5.012 13.853 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.889 7.786 14.872 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.130 6.757 15.558 1.00 0.00 H new ATOM 0 HG SER A 98 -9.523 6.156 16.838 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.103 4.666 12.887 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.468 4.388 12.475 1.00 0.00 C ATOM 1498 C LYS A 99 -14.422 4.729 13.622 1.00 0.00 C ATOM 1499 O LYS A 99 -14.119 4.465 14.784 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.595 2.947 11.977 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.612 2.671 10.838 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.193 1.200 10.819 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.203 0.645 9.393 1.00 0.00 C ATOM 1504 NZ LYS A 99 -11.570 -0.692 9.352 1.00 0.00 N ATOM 0 H LYS A 99 -11.463 3.876 12.804 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.746 5.018 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.407 2.257 12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.614 2.765 11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.071 2.934 9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.731 3.302 10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.195 1.097 11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.869 0.617 11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.228 0.580 9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.672 1.326 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.720 -1.118 8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.550 -0.599 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.995 -1.300 10.081 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.555 5.310 13.254 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.554 5.689 14.238 1.00 0.00 C ATOM 1520 C VAL A 100 -17.523 4.524 14.450 1.00 0.00 C ATOM 1521 O VAL A 100 -18.735 4.724 14.518 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.255 6.977 13.801 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.284 8.160 13.810 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.903 6.810 12.426 1.00 0.00 C ATOM 0 H VAL A 100 -15.803 5.527 12.289 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.084 5.899 15.199 1.00 0.00 H new ATOM 0 HB VAL A 100 -18.047 7.188 14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.808 9.063 13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.891 8.301 14.817 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.461 7.960 13.124 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.394 7.740 12.140 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.137 6.563 11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.640 6.008 12.466 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.952 3.332 14.548 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.750 2.135 14.751 1.00 0.00 C ATOM 1536 C GLY A 101 -17.184 0.957 13.956 1.00 0.00 C ATOM 1537 O GLY A 101 -16.302 1.137 13.117 1.00 0.00 O ATOM 0 H GLY A 101 -15.947 3.170 14.491 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.773 1.885 15.812 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.779 2.324 14.445 1.00 0.00 H new ATOM 1541 N GLU A 102 -17.714 -0.222 14.247 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.272 -1.429 13.569 1.00 0.00 C ATOM 1543 C GLU A 102 -17.762 -1.433 12.119 1.00 0.00 C ATOM 1544 O GLU A 102 -18.882 -1.859 11.840 1.00 0.00 O ATOM 1545 CB GLU A 102 -17.746 -2.679 14.312 1.00 0.00 C ATOM 1546 CG GLU A 102 -16.707 -3.134 15.338 1.00 0.00 C ATOM 1547 CD GLU A 102 -17.203 -4.354 16.118 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -18.381 -4.320 16.534 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -16.393 -5.292 16.280 1.00 0.00 O ATOM 0 H GLU A 102 -18.445 -0.367 14.943 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.182 -1.441 13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.691 -2.472 14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.933 -3.481 13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.773 -3.377 14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.492 -2.319 16.029 1.00 0.00 H new ATOM 1556 N TYR A 103 -16.900 -0.954 11.235 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.231 -0.898 9.821 1.00 0.00 C ATOM 1558 C TYR A 103 -16.129 -1.538 8.974 1.00 0.00 C ATOM 1559 O TYR A 103 -14.978 -1.615 9.401 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.330 0.588 9.471 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.615 1.259 9.960 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.822 0.955 9.365 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.566 2.169 10.996 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -21.031 1.586 9.825 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.776 2.801 11.457 1.00 0.00 C ATOM 1566 CZ TYR A 103 -20.948 2.478 10.848 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.091 3.075 11.283 1.00 0.00 O ATOM 0 H TYR A 103 -15.972 -0.601 11.470 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.157 -1.437 9.621 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.474 1.109 9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.263 0.701 8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -19.860 0.243 8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.621 2.407 11.461 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.982 1.356 9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.753 3.515 12.267 1.00 0.00 H new ATOM 0 HH TYR A 103 -21.881 3.687 12.019 1.00 0.00 H new ATOM 1577 N TRP A 104 -16.521 -1.980 7.788 1.00 0.00 N ATOM 1578 CA TRP A 104 -15.581 -2.611 6.877 1.00 0.00 C ATOM 1579 C TRP A 104 -15.266 -1.616 5.759 1.00 0.00 C ATOM 1580 O TRP A 104 -15.983 -1.550 4.762 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.130 -3.941 6.357 1.00 0.00 C ATOM 1582 CG TRP A 104 -17.316 -3.793 5.402 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.317 -3.902 4.066 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -18.682 -3.504 5.765 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -18.580 -3.705 3.544 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -19.436 -3.455 4.610 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -19.262 -3.292 7.028 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -20.812 -3.195 4.603 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -20.638 -3.032 7.004 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -21.411 -2.980 5.850 1.00 0.00 C ATOM 0 H TRP A 104 -17.476 -1.914 7.437 1.00 0.00 H new ATOM 0 HA TRP A 104 -14.653 -2.861 7.392 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.330 -4.478 5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -16.434 -4.554 7.206 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.440 -4.117 3.473 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.837 -3.737 2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -18.692 -3.327 7.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -21.380 -3.162 3.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.133 -2.860 7.948 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.469 -2.775 5.915 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.193 -0.866 5.962 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.774 0.123 4.983 1.00 0.00 C ATOM 1603 C TRP A 105 -13.258 -0.621 3.750 1.00 0.00 C ATOM 1604 O TRP A 105 -12.066 -0.906 3.646 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.741 1.081 5.579 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.347 2.201 6.427 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.246 2.094 7.415 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.059 3.612 6.321 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.558 3.327 7.951 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.813 4.279 7.265 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.191 4.301 5.456 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.774 5.668 7.434 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.164 5.689 5.638 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.916 6.375 6.583 1.00 0.00 C ATOM 0 H TRP A 105 -13.601 -0.923 6.790 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.614 0.750 4.685 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.044 0.511 6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.163 1.525 4.769 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.673 1.160 7.750 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.214 3.507 8.711 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.592 3.799 4.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.374 6.167 8.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.513 6.267 4.999 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.839 7.449 6.661 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.182 -0.916 2.847 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.835 -1.621 1.625 1.00 0.00 C ATOM 1627 C ASN A 106 -12.738 -0.849 0.889 1.00 0.00 C ATOM 1628 O ASN A 106 -12.029 -1.413 0.057 1.00 0.00 O ATOM 1629 CB ASN A 106 -15.042 -1.733 0.692 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.521 -0.349 0.247 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.952 0.281 -0.629 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.596 0.086 0.898 1.00 0.00 N ATOM 0 H ASN A 106 -15.170 -0.680 2.937 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.496 -2.620 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.777 -2.328 -0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.852 -2.256 1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.993 0.998 0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.023 -0.493 1.621 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.633 0.428 1.222 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.634 1.283 0.603 1.00 0.00 C ATOM 1641 C ALA A 107 -11.426 2.527 1.469 1.00 0.00 C ATOM 1642 O ALA A 107 -12.007 2.641 2.548 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.071 1.631 -0.821 1.00 0.00 C ATOM 0 H ALA A 107 -13.223 0.892 1.913 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.677 0.766 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.322 2.272 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.176 0.716 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.027 2.154 -0.791 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.596 3.429 0.965 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.305 4.660 1.680 1.00 0.00 C ATOM 1651 C ILE A 108 -11.192 5.782 1.136 1.00 0.00 C ATOM 1652 O ILE A 108 -11.807 6.519 1.905 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.809 4.974 1.617 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -7.988 3.873 2.292 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.513 6.354 2.209 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -7.952 4.068 3.809 1.00 0.00 C ATOM 0 H ILE A 108 -10.116 3.332 0.070 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.541 4.551 2.739 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.510 5.002 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.417 2.899 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.972 3.878 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.443 6.552 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.054 7.115 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.832 6.379 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.362 3.272 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.501 5.033 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.968 4.038 4.204 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.230 5.876 -0.185 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.031 6.896 -0.840 1.00 0.00 C ATOM 1670 C LEU A 109 -13.231 6.235 -1.522 1.00 0.00 C ATOM 1671 O LEU A 109 -13.334 5.010 -1.554 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.167 7.730 -1.787 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.909 8.351 -1.176 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.137 9.162 -2.218 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.254 9.185 0.059 1.00 0.00 C ATOM 0 H LEU A 109 -10.719 5.262 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.427 7.599 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.867 7.099 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.782 8.532 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.255 7.544 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.248 9.593 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.841 8.510 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.772 9.962 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.342 9.615 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.938 9.986 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.728 8.549 0.807 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.107 7.076 -2.051 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.295 6.589 -2.731 1.00 0.00 C ATOM 1689 C GLU A 110 -14.956 6.183 -4.167 1.00 0.00 C ATOM 1690 O GLU A 110 -15.712 5.450 -4.804 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.410 7.637 -2.706 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.205 7.560 -1.401 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.562 8.251 -1.545 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -18.562 9.410 -2.014 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.569 7.606 -1.182 1.00 0.00 O ATOM 0 H GLU A 110 -14.018 8.092 -2.023 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.658 5.708 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.981 8.633 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.078 7.482 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.352 6.517 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.638 8.029 -0.597 1.00 0.00 H new ATOM 1702 N GLY A 111 -13.820 6.678 -4.635 1.00 0.00 N ATOM 1703 CA GLY A 111 -13.372 6.376 -5.984 1.00 0.00 C ATOM 1704 C GLY A 111 -12.246 5.340 -5.969 1.00 0.00 C ATOM 1705 O GLY A 111 -11.220 5.523 -6.622 1.00 0.00 O ATOM 0 H GLY A 111 -13.196 7.286 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -14.209 6.001 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.025 7.289 -6.469 1.00 0.00 H new ATOM 1709 N GLU A 112 -12.477 4.274 -5.217 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.495 3.208 -5.109 1.00 0.00 C ATOM 1711 C GLU A 112 -12.172 1.845 -5.269 1.00 0.00 C ATOM 1712 O GLU A 112 -13.398 1.755 -5.291 1.00 0.00 O ATOM 1713 CB GLU A 112 -10.740 3.292 -3.781 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.289 3.725 -4.002 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.434 3.430 -2.768 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.792 3.955 -1.691 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.443 2.686 -2.929 1.00 0.00 O ATOM 0 H GLU A 112 -13.329 4.125 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.767 3.327 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.238 4.001 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.762 2.322 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.878 3.204 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.254 4.791 -4.226 1.00 0.00 H new ATOM 1724 N GLU A 113 -11.342 0.818 -5.378 1.00 0.00 N ATOM 1725 CA GLU A 113 -11.844 -0.536 -5.536 1.00 0.00 C ATOM 1726 C GLU A 113 -12.074 -1.181 -4.168 1.00 0.00 C ATOM 1727 O GLU A 113 -11.318 -0.936 -3.228 1.00 0.00 O ATOM 1728 CB GLU A 113 -10.892 -1.379 -6.387 1.00 0.00 C ATOM 1729 CG GLU A 113 -10.971 -0.977 -7.861 1.00 0.00 C ATOM 1730 CD GLU A 113 -9.975 -1.778 -8.702 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -8.963 -2.219 -8.115 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -10.248 -1.930 -9.912 1.00 0.00 O ATOM 0 H GLU A 113 -10.325 0.897 -5.360 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.800 -0.489 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.871 -1.255 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.142 -2.435 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.982 -1.142 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.764 0.088 -7.963 1.00 0.00 H new ATOM 1739 N PRO A 114 -13.146 -2.013 -4.097 1.00 0.00 N ATOM 1740 CA PRO A 114 -13.484 -2.695 -2.859 1.00 0.00 C ATOM 1741 C PRO A 114 -12.523 -3.855 -2.591 1.00 0.00 C ATOM 1742 O PRO A 114 -11.560 -4.050 -3.331 1.00 0.00 O ATOM 1743 CB PRO A 114 -14.924 -3.147 -3.039 1.00 0.00 C ATOM 1744 CG PRO A 114 -15.188 -3.113 -4.535 1.00 0.00 C ATOM 1745 CD PRO A 114 -14.063 -2.327 -5.189 1.00 0.00 C ATOM 0 HA PRO A 114 -13.389 -2.051 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -15.071 -4.150 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.610 -2.488 -2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -15.231 -4.125 -4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -16.151 -2.646 -4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.569 -2.913 -5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -14.438 -1.421 -5.664 1.00 0.00 H new ATOM 1753 N ILE A 115 -12.818 -4.593 -1.531 1.00 0.00 N ATOM 1754 CA ILE A 115 -11.992 -5.728 -1.157 1.00 0.00 C ATOM 1755 C ILE A 115 -12.887 -6.938 -0.886 1.00 0.00 C ATOM 1756 O ILE A 115 -14.099 -6.877 -1.092 1.00 0.00 O ATOM 1757 CB ILE A 115 -11.080 -5.363 0.016 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -11.886 -4.773 1.175 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -9.955 -4.429 -0.434 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -10.977 -4.431 2.357 1.00 0.00 C ATOM 0 H ILE A 115 -13.617 -4.427 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 115 -11.326 -6.001 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 115 -10.612 -6.277 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.407 -3.876 0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.648 -5.485 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -9.322 -4.185 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.357 -4.922 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -10.383 -3.513 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.575 -4.013 3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.476 -5.335 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.231 -3.701 2.043 1.00 0.00 H new ATOM 1772 N ASP A 116 -12.257 -8.010 -0.428 1.00 0.00 N ATOM 1773 CA ASP A 116 -12.983 -9.233 -0.127 1.00 0.00 C ATOM 1774 C ASP A 116 -12.094 -10.154 0.712 1.00 0.00 C ATOM 1775 O ASP A 116 -11.056 -10.617 0.242 1.00 0.00 O ATOM 1776 CB ASP A 116 -13.361 -9.979 -1.408 1.00 0.00 C ATOM 1777 CG ASP A 116 -13.878 -11.404 -1.198 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -14.214 -11.720 -0.037 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -13.924 -12.144 -2.204 1.00 0.00 O ATOM 0 H ASP A 116 -11.252 -8.057 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.890 -8.963 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -14.125 -9.405 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.488 -10.018 -2.059 1.00 0.00 H new ATOM 1784 N ILE A 117 -12.535 -10.393 1.938 1.00 0.00 N ATOM 1785 CA ILE A 117 -11.792 -11.250 2.846 1.00 0.00 C ATOM 1786 C ILE A 117 -11.374 -12.525 2.110 1.00 0.00 C ATOM 1787 O ILE A 117 -12.205 -13.193 1.498 1.00 0.00 O ATOM 1788 CB ILE A 117 -12.602 -11.512 4.118 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -12.479 -10.343 5.097 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -12.200 -12.842 4.760 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -11.081 -10.290 5.715 1.00 0.00 C ATOM 0 H ILE A 117 -13.397 -10.008 2.324 1.00 0.00 H new ATOM 0 HA ILE A 117 -10.877 -10.756 3.174 1.00 0.00 H new ATOM 0 HB ILE A 117 -13.654 -11.592 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -12.687 -9.407 4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -13.225 -10.444 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -12.790 -13.004 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -12.381 -13.655 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -11.142 -12.816 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -11.021 -9.450 6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -10.885 -11.218 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -10.339 -10.164 4.926 1.00 0.00 H new ATOM 1803 N ASP A 118 -10.086 -12.822 2.194 1.00 0.00 N ATOM 1804 CA ASP A 118 -9.547 -14.004 1.543 1.00 0.00 C ATOM 1805 C ASP A 118 -9.099 -15.008 2.608 1.00 0.00 C ATOM 1806 O ASP A 118 -9.388 -16.199 2.504 1.00 0.00 O ATOM 1807 CB ASP A 118 -8.331 -13.654 0.683 1.00 0.00 C ATOM 1808 CG ASP A 118 -7.693 -14.837 -0.048 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -8.447 -15.785 -0.358 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -6.467 -14.767 -0.280 1.00 0.00 O ATOM 0 H ASP A 118 -9.400 -12.265 2.703 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.328 -14.425 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.629 -12.909 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -7.577 -13.190 1.319 1.00 0.00 H new ATOM 1815 N SER A 119 -8.401 -14.490 3.608 1.00 0.00 N ATOM 1816 CA SER A 119 -7.911 -15.325 4.691 1.00 0.00 C ATOM 1817 C SER A 119 -9.074 -15.759 5.585 1.00 0.00 C ATOM 1818 O SER A 119 -9.813 -14.921 6.098 1.00 0.00 O ATOM 1819 CB SER A 119 -6.852 -14.592 5.516 1.00 0.00 C ATOM 1820 OG SER A 119 -7.425 -13.591 6.352 1.00 0.00 O ATOM 0 H SER A 119 -8.163 -13.502 3.691 1.00 0.00 H new ATOM 0 HA SER A 119 -7.446 -16.210 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 119 -6.310 -15.311 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 119 -6.125 -14.132 4.846 1.00 0.00 H new ATOM 0 HG SER A 119 -8.396 -13.714 6.391 1.00 0.00 H new ATOM 1826 N GLY A 120 -9.200 -17.069 5.743 1.00 0.00 N ATOM 1827 CA GLY A 120 -10.261 -17.624 6.566 1.00 0.00 C ATOM 1828 C GLY A 120 -10.033 -19.115 6.822 1.00 0.00 C ATOM 1829 O GLY A 120 -8.894 -19.559 6.955 1.00 0.00 O ATOM 0 H GLY A 120 -8.585 -17.761 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -10.306 -17.091 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.222 -17.479 6.073 1.00 0.00 H new ATOM 1833 N PRO A 121 -11.165 -19.867 6.884 1.00 0.00 N ATOM 1834 CA PRO A 121 -11.100 -21.299 7.121 1.00 0.00 C ATOM 1835 C PRO A 121 -10.634 -22.042 5.867 1.00 0.00 C ATOM 1836 O PRO A 121 -11.020 -21.690 4.754 1.00 0.00 O ATOM 1837 CB PRO A 121 -12.503 -21.690 7.557 1.00 0.00 C ATOM 1838 CG PRO A 121 -13.410 -20.559 7.102 1.00 0.00 C ATOM 1839 CD PRO A 121 -12.531 -19.376 6.732 1.00 0.00 C ATOM 0 HA PRO A 121 -10.371 -21.566 7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -12.803 -22.636 7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -12.554 -21.821 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -14.010 -20.871 6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -14.105 -20.285 7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -12.722 -19.045 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -12.720 -18.523 7.384 1.00 0.00 H new ATOM 1847 N SER A 122 -9.812 -23.056 6.090 1.00 0.00 N ATOM 1848 CA SER A 122 -9.289 -23.852 4.992 1.00 0.00 C ATOM 1849 C SER A 122 -10.441 -24.503 4.224 1.00 0.00 C ATOM 1850 O SER A 122 -10.905 -25.582 4.591 1.00 0.00 O ATOM 1851 CB SER A 122 -8.318 -24.919 5.499 1.00 0.00 C ATOM 1852 OG SER A 122 -7.287 -24.362 6.309 1.00 0.00 O ATOM 0 H SER A 122 -9.495 -23.345 7.015 1.00 0.00 H new ATOM 0 HA SER A 122 -8.741 -23.191 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.867 -25.665 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.872 -25.436 4.649 1.00 0.00 H new ATOM 0 HG SER A 122 -6.689 -25.076 6.614 1.00 0.00 H new ATOM 1858 N SER A 123 -10.870 -23.821 3.172 1.00 0.00 N ATOM 1859 CA SER A 123 -11.958 -24.320 2.349 1.00 0.00 C ATOM 1860 C SER A 123 -11.729 -23.933 0.887 1.00 0.00 C ATOM 1861 O SER A 123 -11.813 -22.758 0.532 1.00 0.00 O ATOM 1862 CB SER A 123 -13.306 -23.785 2.836 1.00 0.00 C ATOM 1863 OG SER A 123 -13.862 -24.596 3.867 1.00 0.00 O ATOM 0 H SER A 123 -10.483 -22.926 2.871 1.00 0.00 H new ATOM 0 HA SER A 123 -11.978 -25.407 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 123 -13.180 -22.767 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.001 -23.737 1.998 1.00 0.00 H new ATOM 0 HG SER A 123 -13.144 -25.080 4.326 1.00 0.00 H new ATOM 1869 N GLY A 124 -11.445 -24.943 0.078 1.00 0.00 N ATOM 1870 CA GLY A 124 -11.203 -24.722 -1.338 1.00 0.00 C ATOM 1871 C GLY A 124 -11.678 -25.917 -2.167 1.00 0.00 C ATOM 1872 O GLY A 124 -10.870 -26.610 -2.783 1.00 0.00 O ATOM 0 H GLY A 124 -11.377 -25.916 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.721 -23.820 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.139 -24.557 -1.508 1.00 0.00 H new TER 1876 GLY A 124