USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 787 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 15 SER OG : rot -57:sc= 1.15 USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= 0.0348 F(o=1.9,f=2.5) USER MOD Set 1.3: A 56 SER OG : rot 71:sc= 1.38 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 F(o=0.66,f=2.5) USER MOD Set 1.5: A 89 MET CE :methyl 143:sc=-0.000943 (180deg=-0.0812) USER MOD Set 1.6: A 97 GLN :FLIP amide:sc= -0.0202 F(o=0.6,f=2.5) USER MOD Set 2.1: A 51 GLN : amide:sc= -0.447! K(o=-1!,f=-1.6) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.587 K(o=-1,f=-2.9!) USER MOD Set 3.1: A 34 TYR OH : rot 60:sc= 0.572 USER MOD Set 3.2: A 40 SER OG : rot -26:sc= 1.16 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -178:sc= 1.1 (180deg=0) USER MOD Set 4.2: A 62 SER OG : rot -22:sc= 1.81 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0762 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00726 X(o=-0.0073,f=-0.011) USER MOD Single : A 3 MET CE :methyl 169:sc= -0.0181 (180deg=-0.184) USER MOD Single : A 7 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.028) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.193 F(o=-2.4!,f=-0.19) USER MOD Single : A 11 THR OG1 : rot -9:sc= -1.23 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -78:sc= 0.427 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 71:sc= 0.0891 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -91:sc= 1.23 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0773 USER MOD Single : A 31 SER OG : rot 79:sc= 1.27 USER MOD Single : A 33 MET CE :methyl -154:sc= -1.85 (180deg=-2.84!) USER MOD Single : A 36 MET CE :methyl 176:sc= -0.511 (180deg=-0.556) USER MOD Single : A 37 ASN :FLIP amide:sc= 0.0101 F(o=-1.5,f=0.01) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 61 THR OG1 : rot 149:sc= -2.93! USER MOD Single : A 66 SER OG : rot 180:sc= 0.00496 USER MOD Single : A 75 LYS NZ :NH3+ -139:sc= 1.37 (180deg=0.167) USER MOD Single : A 76 CYS SG : rot -160:sc= -3.14! USER MOD Single : A 90 THR OG1 : rot 141:sc= 1.18 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.198 0.761 -2.157 1.00 0.00 N ATOM 2 CA GLY A 1 -3.989 1.760 -3.194 1.00 0.00 C ATOM 3 C GLY A 1 -3.400 1.122 -4.409 1.00 0.00 C ATOM 4 O GLY A 1 -2.659 0.133 -4.303 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.026 1.188 -1.224 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.177 0.412 -2.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.541 -0.032 -2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.936 2.237 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.326 2.543 -2.827 1.00 0.00 H new ATOM 8 N HIS A 2 -3.699 1.656 -5.556 1.00 0.00 N ATOM 9 CA HIS A 2 -3.233 1.069 -6.774 1.00 0.00 C ATOM 10 C HIS A 2 -2.113 1.863 -7.370 1.00 0.00 C ATOM 11 O HIS A 2 -2.223 3.070 -7.519 1.00 0.00 O ATOM 12 CB HIS A 2 -4.385 0.848 -7.812 1.00 0.00 C ATOM 13 CG HIS A 2 -5.175 2.071 -8.247 1.00 0.00 C ATOM 14 ND1 HIS A 2 -6.461 2.315 -7.835 1.00 0.00 N ATOM 15 CD2 HIS A 2 -4.865 3.087 -9.094 1.00 0.00 C ATOM 16 CE1 HIS A 2 -6.904 3.418 -8.401 1.00 0.00 C ATOM 17 NE2 HIS A 2 -5.954 3.905 -9.167 1.00 0.00 N ATOM 0 H HIS A 2 -4.264 2.497 -5.672 1.00 0.00 H new ATOM 0 HA HIS A 2 -2.847 0.083 -6.516 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -3.954 0.391 -8.702 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -5.085 0.127 -7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -3.928 3.222 -9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -7.884 3.850 -8.259 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -6.020 4.756 -9.725 1.00 0.00 H new ATOM 25 N MET A 3 -1.007 1.218 -7.619 1.00 0.00 N ATOM 26 CA MET A 3 0.013 1.828 -8.430 1.00 0.00 C ATOM 27 C MET A 3 -0.178 1.282 -9.832 1.00 0.00 C ATOM 28 O MET A 3 0.395 0.261 -10.230 1.00 0.00 O ATOM 29 CB MET A 3 1.470 1.640 -7.900 1.00 0.00 C ATOM 30 CG MET A 3 1.964 0.202 -7.760 1.00 0.00 C ATOM 31 SD MET A 3 3.745 0.097 -7.430 1.00 0.00 S ATOM 32 CE MET A 3 3.859 0.924 -5.838 1.00 0.00 C ATOM 0 H MET A 3 -0.789 0.282 -7.278 1.00 0.00 H new ATOM 0 HA MET A 3 -0.104 2.911 -8.404 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.148 2.170 -8.570 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.543 2.122 -6.925 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.420 -0.287 -6.951 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.736 -0.346 -8.674 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.852 0.767 -5.417 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.685 1.992 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.109 0.515 -5.161 1.00 0.00 H new ATOM 42 N GLU A 4 -1.086 1.881 -10.530 1.00 0.00 N ATOM 43 CA GLU A 4 -1.475 1.412 -11.786 1.00 0.00 C ATOM 44 C GLU A 4 -0.730 2.120 -12.867 1.00 0.00 C ATOM 45 O GLU A 4 -0.959 3.308 -13.126 1.00 0.00 O ATOM 46 CB GLU A 4 -2.962 1.589 -11.956 1.00 0.00 C ATOM 47 CG GLU A 4 -3.468 1.126 -13.286 1.00 0.00 C ATOM 48 CD GLU A 4 -4.965 1.044 -13.355 1.00 0.00 C ATOM 49 OE1 GLU A 4 -5.644 2.070 -13.586 1.00 0.00 O ATOM 50 OE2 GLU A 4 -5.499 -0.066 -13.180 1.00 0.00 O ATOM 0 H GLU A 4 -1.576 2.722 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.237 0.351 -11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.478 1.040 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.212 2.642 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.112 1.807 -14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.047 0.145 -13.506 1.00 0.00 H new ATOM 57 N GLY A 5 0.193 1.433 -13.450 1.00 0.00 N ATOM 58 CA GLY A 5 0.875 1.970 -14.560 1.00 0.00 C ATOM 59 C GLY A 5 0.357 1.334 -15.814 1.00 0.00 C ATOM 60 O GLY A 5 -0.808 0.892 -15.855 1.00 0.00 O ATOM 0 H GLY A 5 0.487 0.497 -13.170 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.733 3.050 -14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.946 1.792 -14.464 1.00 0.00 H new ATOM 64 N LYS A 6 1.176 1.243 -16.816 1.00 0.00 N ATOM 65 CA LYS A 6 0.761 0.625 -18.031 1.00 0.00 C ATOM 66 C LYS A 6 1.535 -0.617 -18.260 1.00 0.00 C ATOM 67 O LYS A 6 2.657 -0.595 -18.770 1.00 0.00 O ATOM 68 CB LYS A 6 0.795 1.567 -19.241 1.00 0.00 C ATOM 69 CG LYS A 6 -0.174 2.737 -19.128 1.00 0.00 C ATOM 70 CD LYS A 6 -1.604 2.255 -18.940 1.00 0.00 C ATOM 71 CE LYS A 6 -2.563 3.414 -18.735 1.00 0.00 C ATOM 72 NZ LYS A 6 -3.959 2.944 -18.567 1.00 0.00 N ATOM 0 H LYS A 6 2.135 1.590 -16.814 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.291 0.362 -17.917 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.807 1.954 -19.362 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.562 0.998 -20.141 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.112 3.369 -18.287 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.111 3.352 -20.025 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.911 1.678 -19.812 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.653 1.586 -18.081 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.262 3.985 -17.856 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.506 4.089 -19.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.591 3.763 -18.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.242 2.392 -19.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.024 2.347 -17.718 1.00 0.00 H new ATOM 86 N ASN A 7 0.954 -1.691 -17.812 1.00 0.00 N ATOM 87 CA ASN A 7 1.521 -2.994 -17.963 1.00 0.00 C ATOM 88 C ASN A 7 0.825 -3.669 -19.109 1.00 0.00 C ATOM 89 O ASN A 7 1.233 -4.722 -19.582 1.00 0.00 O ATOM 90 CB ASN A 7 1.379 -3.827 -16.674 1.00 0.00 C ATOM 91 CG ASN A 7 -0.061 -4.094 -16.275 1.00 0.00 C ATOM 92 OD1 ASN A 7 -0.666 -3.341 -15.501 1.00 0.00 O ATOM 93 ND2 ASN A 7 -0.618 -5.135 -16.810 1.00 0.00 N ATOM 0 H ASN A 7 0.058 -1.683 -17.324 1.00 0.00 H new ATOM 0 HA ASN A 7 2.589 -2.906 -18.163 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.892 -4.779 -16.809 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.882 -3.307 -15.859 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.590 -5.359 -16.598 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.084 -5.730 -17.443 1.00 0.00 H new ATOM 100 N LYS A 8 -0.253 -3.058 -19.527 1.00 0.00 N ATOM 101 CA LYS A 8 -1.009 -3.509 -20.618 1.00 0.00 C ATOM 102 C LYS A 8 -1.240 -2.361 -21.570 1.00 0.00 C ATOM 103 O LYS A 8 -2.103 -1.495 -21.349 1.00 0.00 O ATOM 104 CB LYS A 8 -2.355 -4.091 -20.178 1.00 0.00 C ATOM 105 CG LYS A 8 -3.175 -4.595 -21.352 1.00 0.00 C ATOM 106 CD LYS A 8 -4.581 -5.044 -20.966 1.00 0.00 C ATOM 107 CE LYS A 8 -5.444 -3.879 -20.496 1.00 0.00 C ATOM 108 NZ LYS A 8 -6.835 -4.289 -20.227 1.00 0.00 N ATOM 0 H LYS A 8 -0.622 -2.212 -19.092 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.450 -4.305 -21.111 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.184 -4.910 -19.479 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.921 -3.328 -19.643 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.247 -3.805 -22.100 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.651 -5.429 -21.819 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.056 -5.525 -21.821 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.518 -5.791 -20.175 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.012 -3.451 -19.592 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.438 -3.096 -21.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.385 -3.465 -19.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.258 -4.674 -21.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.845 -5.018 -19.485 1.00 0.00 H new ATOM 122 N PHE A 9 -0.439 -2.308 -22.565 1.00 0.00 N ATOM 123 CA PHE A 9 -0.627 -1.385 -23.623 1.00 0.00 C ATOM 124 C PHE A 9 -1.632 -1.992 -24.543 1.00 0.00 C ATOM 125 O PHE A 9 -1.584 -3.202 -24.815 1.00 0.00 O ATOM 126 CB PHE A 9 0.675 -1.114 -24.372 1.00 0.00 C ATOM 127 CG PHE A 9 1.683 -0.299 -23.621 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.468 -0.863 -22.635 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.848 1.041 -23.918 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.398 -0.103 -21.960 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.772 1.805 -23.249 1.00 0.00 C ATOM 132 CZ PHE A 9 3.548 1.236 -22.266 1.00 0.00 C ATOM 0 H PHE A 9 0.377 -2.911 -22.672 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.966 -0.426 -23.231 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.128 -2.069 -24.638 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.439 -0.602 -25.305 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.352 -1.909 -22.391 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.241 1.494 -24.688 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.009 -0.554 -21.192 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.889 2.850 -23.494 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.273 1.835 -21.735 1.00 0.00 H new ATOM 142 N ASN A 10 -2.562 -1.211 -24.970 1.00 0.00 N ATOM 143 CA ASN A 10 -3.580 -1.705 -25.856 1.00 0.00 C ATOM 144 C ASN A 10 -3.117 -1.368 -27.239 1.00 0.00 C ATOM 145 O ASN A 10 -2.100 -0.683 -27.397 1.00 0.00 O ATOM 146 CB ASN A 10 -4.972 -1.081 -25.577 1.00 0.00 C ATOM 147 CG ASN A 10 -5.532 -1.317 -24.167 1.00 0.00 C ATOM 148 OD1 ASN A 10 -4.702 -1.174 -23.156 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -6.726 -1.543 -23.996 1.00 0.00 N flip ATOM 0 H ASN A 10 -2.647 -0.225 -24.725 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.713 -2.778 -25.715 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.910 -0.006 -25.749 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.681 -1.480 -26.302 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.345 -1.649 -24.800 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.099 -1.625 -23.050 1.00 0.00 H new ATOM 156 N THR A 11 -3.803 -1.780 -28.228 1.00 0.00 N ATOM 157 CA THR A 11 -3.300 -1.562 -29.523 1.00 0.00 C ATOM 158 C THR A 11 -4.375 -0.978 -30.459 1.00 0.00 C ATOM 159 O THR A 11 -5.402 -1.596 -30.773 1.00 0.00 O ATOM 160 CB THR A 11 -2.581 -2.851 -30.055 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.827 -2.589 -31.248 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.551 -4.001 -30.291 1.00 0.00 C ATOM 0 H THR A 11 -4.700 -2.262 -28.171 1.00 0.00 H new ATOM 0 HA THR A 11 -2.530 -0.791 -29.490 1.00 0.00 H new ATOM 0 HB THR A 11 -1.889 -3.153 -29.269 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.031 -1.687 -31.572 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.004 -4.869 -30.659 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.048 -4.255 -29.355 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.296 -3.703 -31.029 1.00 0.00 H new ATOM 170 N TYR A 12 -4.131 0.228 -30.881 1.00 0.00 N ATOM 171 CA TYR A 12 -5.053 0.954 -31.714 1.00 0.00 C ATOM 172 C TYR A 12 -4.445 1.254 -33.052 1.00 0.00 C ATOM 173 O TYR A 12 -3.239 1.161 -33.220 1.00 0.00 O ATOM 174 CB TYR A 12 -5.488 2.260 -31.050 1.00 0.00 C ATOM 175 CG TYR A 12 -6.425 2.104 -29.873 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.802 2.101 -30.062 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.940 1.991 -28.572 1.00 0.00 C ATOM 178 CE1 TYR A 12 -8.664 1.989 -28.995 1.00 0.00 C ATOM 179 CE2 TYR A 12 -6.802 1.870 -27.497 1.00 0.00 C ATOM 180 CZ TYR A 12 -8.165 1.874 -27.716 1.00 0.00 C ATOM 181 OH TYR A 12 -9.043 1.758 -26.651 1.00 0.00 O ATOM 0 H TYR A 12 -3.280 0.743 -30.656 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.929 0.321 -31.854 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.598 2.793 -30.717 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.973 2.886 -31.799 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.202 2.188 -31.062 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.874 1.998 -28.400 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.731 1.991 -29.160 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.412 1.773 -26.495 1.00 0.00 H new ATOM 0 HH TYR A 12 -8.536 1.685 -25.816 1.00 0.00 H new ATOM 191 N VAL A 13 -5.289 1.587 -33.973 1.00 0.00 N ATOM 192 CA VAL A 13 -4.944 1.970 -35.314 1.00 0.00 C ATOM 193 C VAL A 13 -5.603 3.303 -35.655 1.00 0.00 C ATOM 194 O VAL A 13 -6.744 3.560 -35.274 1.00 0.00 O ATOM 195 CB VAL A 13 -5.353 0.865 -36.347 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.391 1.398 -37.765 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.355 -0.255 -36.303 1.00 0.00 C ATOM 0 H VAL A 13 -6.295 1.602 -33.806 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.862 2.084 -35.373 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.350 0.521 -36.073 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.679 0.598 -38.447 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.117 2.209 -37.830 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.405 1.771 -38.040 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.639 -1.024 -37.021 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.366 0.129 -36.554 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.334 -0.684 -35.301 1.00 0.00 H new ATOM 207 N VAL A 14 -4.882 4.139 -36.337 1.00 0.00 N ATOM 208 CA VAL A 14 -5.390 5.396 -36.761 1.00 0.00 C ATOM 209 C VAL A 14 -5.310 5.486 -38.256 1.00 0.00 C ATOM 210 O VAL A 14 -4.297 5.181 -38.844 1.00 0.00 O ATOM 211 CB VAL A 14 -4.676 6.593 -36.087 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.163 6.520 -36.243 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.216 7.916 -36.623 1.00 0.00 C ATOM 0 H VAL A 14 -3.917 3.961 -36.615 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.432 5.458 -36.447 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.890 6.538 -35.020 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.705 7.380 -35.755 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.794 5.603 -35.784 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.906 6.525 -37.302 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.700 8.744 -36.136 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.050 7.968 -37.699 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.284 7.983 -36.418 1.00 0.00 H new ATOM 223 N SER A 15 -6.377 5.851 -38.841 1.00 0.00 N ATOM 224 CA SER A 15 -6.480 5.979 -40.251 1.00 0.00 C ATOM 225 C SER A 15 -6.567 7.459 -40.609 1.00 0.00 C ATOM 226 O SER A 15 -7.482 8.148 -40.166 1.00 0.00 O ATOM 227 CB SER A 15 -7.714 5.198 -40.693 1.00 0.00 C ATOM 228 OG SER A 15 -7.546 3.810 -40.399 1.00 0.00 O ATOM 0 H SER A 15 -7.238 6.079 -38.343 1.00 0.00 H new ATOM 0 HA SER A 15 -5.609 5.574 -40.766 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.598 5.581 -40.184 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.877 5.334 -41.762 1.00 0.00 H new ATOM 0 HG SER A 15 -6.733 3.479 -40.835 1.00 0.00 H new ATOM 234 N PHE A 16 -5.587 7.960 -41.327 1.00 0.00 N ATOM 235 CA PHE A 16 -5.565 9.363 -41.695 1.00 0.00 C ATOM 236 C PHE A 16 -6.081 9.611 -43.094 1.00 0.00 C ATOM 237 O PHE A 16 -5.988 8.751 -43.974 1.00 0.00 O ATOM 238 CB PHE A 16 -4.163 9.971 -41.565 1.00 0.00 C ATOM 239 CG PHE A 16 -3.731 10.238 -40.163 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.107 9.268 -39.413 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.950 11.480 -39.594 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.712 9.533 -38.124 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.558 11.743 -38.309 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.942 10.771 -37.573 1.00 0.00 C ATOM 0 H PHE A 16 -4.793 7.419 -41.669 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.236 9.852 -40.989 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.444 9.297 -42.031 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.133 10.906 -42.125 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.927 8.293 -39.840 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.437 12.252 -40.171 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.220 8.767 -37.543 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.735 12.717 -37.878 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.636 10.975 -36.558 1.00 0.00 H new ATOM 254 N ASP A 17 -6.654 10.779 -43.271 1.00 0.00 N ATOM 255 CA ASP A 17 -7.079 11.269 -44.563 1.00 0.00 C ATOM 256 C ASP A 17 -6.556 12.657 -44.725 1.00 0.00 C ATOM 257 O ASP A 17 -6.761 13.504 -43.843 1.00 0.00 O ATOM 258 CB ASP A 17 -8.602 11.307 -44.720 1.00 0.00 C ATOM 259 CG ASP A 17 -9.254 9.959 -44.732 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.086 9.208 -45.710 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.983 9.633 -43.784 1.00 0.00 O ATOM 0 H ASP A 17 -6.842 11.428 -42.507 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.691 10.586 -45.319 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.025 11.895 -43.905 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.847 11.825 -45.647 1.00 0.00 H new ATOM 266 N TYR A 18 -5.859 12.886 -45.798 1.00 0.00 N ATOM 267 CA TYR A 18 -5.300 14.181 -46.117 1.00 0.00 C ATOM 268 C TYR A 18 -5.039 14.235 -47.614 1.00 0.00 C ATOM 269 O TYR A 18 -4.671 13.204 -48.213 1.00 0.00 O ATOM 270 CB TYR A 18 -3.988 14.443 -45.314 1.00 0.00 C ATOM 271 CG TYR A 18 -2.894 13.403 -45.521 1.00 0.00 C ATOM 272 CD1 TYR A 18 -2.850 12.251 -44.745 1.00 0.00 C ATOM 273 CD2 TYR A 18 -1.915 13.571 -46.497 1.00 0.00 C ATOM 274 CE1 TYR A 18 -1.873 11.300 -44.934 1.00 0.00 C ATOM 275 CE2 TYR A 18 -0.933 12.624 -46.690 1.00 0.00 C ATOM 276 CZ TYR A 18 -0.919 11.490 -45.907 1.00 0.00 C ATOM 277 OH TYR A 18 0.054 10.542 -46.100 1.00 0.00 O ATOM 0 H TYR A 18 -5.655 12.169 -46.494 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.006 14.962 -45.836 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.597 15.422 -45.593 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.231 14.488 -44.252 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.596 12.099 -43.979 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.926 14.458 -47.113 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.855 10.410 -44.322 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.179 12.769 -47.450 1.00 0.00 H new ATOM 0 HH TYR A 18 0.740 10.632 -45.406 1.00 0.00 H new ATOM 287 N PRO A 19 -5.282 15.383 -48.254 1.00 0.00 N ATOM 288 CA PRO A 19 -5.005 15.549 -49.674 1.00 0.00 C ATOM 289 C PRO A 19 -3.497 15.532 -49.968 1.00 0.00 C ATOM 290 O PRO A 19 -2.663 15.825 -49.086 1.00 0.00 O ATOM 291 CB PRO A 19 -5.609 16.915 -50.023 1.00 0.00 C ATOM 292 CG PRO A 19 -5.741 17.636 -48.734 1.00 0.00 C ATOM 293 CD PRO A 19 -5.878 16.594 -47.656 1.00 0.00 C ATOM 0 HA PRO A 19 -5.427 14.736 -50.265 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.967 17.462 -50.714 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.578 16.802 -50.510 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.869 18.265 -48.553 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.611 18.293 -48.747 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.355 16.889 -46.746 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.922 16.434 -47.386 1.00 0.00 H new ATOM 301 N SER A 20 -3.155 15.223 -51.209 1.00 0.00 N ATOM 302 CA SER A 20 -1.770 15.108 -51.665 1.00 0.00 C ATOM 303 C SER A 20 -0.979 16.411 -51.521 1.00 0.00 C ATOM 304 O SER A 20 0.247 16.402 -51.532 1.00 0.00 O ATOM 305 CB SER A 20 -1.744 14.628 -53.107 1.00 0.00 C ATOM 306 OG SER A 20 -2.330 13.342 -53.218 1.00 0.00 O ATOM 0 H SER A 20 -3.840 15.041 -51.943 1.00 0.00 H new ATOM 0 HA SER A 20 -1.279 14.379 -51.020 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.282 15.334 -53.740 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.715 14.597 -53.467 1.00 0.00 H new ATOM 0 HG SER A 20 -2.305 13.051 -54.153 1.00 0.00 H new ATOM 312 N SER A 21 -1.677 17.503 -51.348 1.00 0.00 N ATOM 313 CA SER A 21 -1.075 18.789 -51.180 1.00 0.00 C ATOM 314 C SER A 21 -0.305 18.878 -49.852 1.00 0.00 C ATOM 315 O SER A 21 0.625 19.668 -49.708 1.00 0.00 O ATOM 316 CB SER A 21 -2.178 19.816 -51.245 1.00 0.00 C ATOM 317 OG SER A 21 -3.293 19.358 -50.491 1.00 0.00 O ATOM 0 H SER A 21 -2.697 17.518 -51.320 1.00 0.00 H new ATOM 0 HA SER A 21 -0.344 18.969 -51.969 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.826 20.770 -50.852 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.471 19.987 -52.281 1.00 0.00 H new ATOM 0 HG SER A 21 -3.075 19.383 -49.536 1.00 0.00 H new ATOM 323 N TYR A 22 -0.686 18.060 -48.891 1.00 0.00 N ATOM 324 CA TYR A 22 -0.016 18.069 -47.602 1.00 0.00 C ATOM 325 C TYR A 22 0.879 16.877 -47.432 1.00 0.00 C ATOM 326 O TYR A 22 1.274 16.572 -46.326 1.00 0.00 O ATOM 327 CB TYR A 22 -1.003 18.140 -46.440 1.00 0.00 C ATOM 328 CG TYR A 22 -1.886 19.348 -46.453 1.00 0.00 C ATOM 329 CD1 TYR A 22 -1.399 20.589 -46.097 1.00 0.00 C ATOM 330 CD2 TYR A 22 -3.193 19.245 -46.847 1.00 0.00 C ATOM 331 CE1 TYR A 22 -2.205 21.704 -46.134 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.012 20.347 -46.899 1.00 0.00 C ATOM 333 CZ TYR A 22 -3.513 21.580 -46.540 1.00 0.00 C ATOM 334 OH TYR A 22 -4.321 22.695 -46.599 1.00 0.00 O ATOM 0 H TYR A 22 -1.448 17.387 -48.974 1.00 0.00 H new ATOM 0 HA TYR A 22 0.596 18.971 -47.587 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.628 17.247 -46.455 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.445 18.122 -45.504 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.370 20.687 -45.785 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.588 18.278 -47.122 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.813 22.669 -45.846 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.039 20.247 -47.219 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.215 22.435 -46.906 1.00 0.00 H new ATOM 344 N SER A 23 1.246 16.246 -48.521 1.00 0.00 N ATOM 345 CA SER A 23 2.126 15.099 -48.481 1.00 0.00 C ATOM 346 C SER A 23 3.455 15.464 -47.808 1.00 0.00 C ATOM 347 O SER A 23 3.843 14.858 -46.827 1.00 0.00 O ATOM 348 CB SER A 23 2.325 14.592 -49.904 1.00 0.00 C ATOM 349 OG SER A 23 2.732 15.655 -50.762 1.00 0.00 O ATOM 0 H SER A 23 0.945 16.511 -49.459 1.00 0.00 H new ATOM 0 HA SER A 23 1.682 14.302 -47.884 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.076 13.802 -49.913 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.398 14.154 -50.273 1.00 0.00 H new ATOM 0 HG SER A 23 1.941 16.075 -51.160 1.00 0.00 H new ATOM 355 N SER A 24 4.057 16.545 -48.260 1.00 0.00 N ATOM 356 CA SER A 24 5.341 16.989 -47.754 1.00 0.00 C ATOM 357 C SER A 24 5.207 17.640 -46.367 1.00 0.00 C ATOM 358 O SER A 24 6.176 17.786 -45.628 1.00 0.00 O ATOM 359 CB SER A 24 5.953 17.941 -48.778 1.00 0.00 C ATOM 360 OG SER A 24 4.949 18.835 -49.282 1.00 0.00 O ATOM 0 H SER A 24 3.669 17.142 -48.990 1.00 0.00 H new ATOM 0 HA SER A 24 6.002 16.133 -47.617 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.761 18.511 -48.319 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.390 17.373 -49.599 1.00 0.00 H new ATOM 0 HG SER A 24 5.351 19.443 -49.937 1.00 0.00 H new ATOM 366 N VAL A 25 3.991 17.961 -46.011 1.00 0.00 N ATOM 367 CA VAL A 25 3.685 18.616 -44.755 1.00 0.00 C ATOM 368 C VAL A 25 3.488 17.580 -43.665 1.00 0.00 C ATOM 369 O VAL A 25 4.011 17.697 -42.544 1.00 0.00 O ATOM 370 CB VAL A 25 2.389 19.450 -44.896 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.912 19.963 -43.551 1.00 0.00 C ATOM 372 CG2 VAL A 25 2.593 20.593 -45.874 1.00 0.00 C ATOM 0 H VAL A 25 3.171 17.775 -46.589 1.00 0.00 H new ATOM 0 HA VAL A 25 4.516 19.271 -44.492 1.00 0.00 H new ATOM 0 HB VAL A 25 1.611 18.796 -45.291 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.000 20.545 -43.686 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.710 19.120 -42.891 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.683 20.594 -43.108 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.671 21.168 -45.960 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.392 21.241 -45.515 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.863 20.192 -46.851 1.00 0.00 H new ATOM 382 N PHE A 26 2.803 16.541 -44.028 1.00 0.00 N ATOM 383 CA PHE A 26 2.393 15.511 -43.136 1.00 0.00 C ATOM 384 C PHE A 26 3.568 14.703 -42.626 1.00 0.00 C ATOM 385 O PHE A 26 3.490 14.079 -41.571 1.00 0.00 O ATOM 386 CB PHE A 26 1.371 14.635 -43.850 1.00 0.00 C ATOM 387 CG PHE A 26 1.256 13.261 -43.289 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.479 13.018 -42.175 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.979 12.221 -43.843 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.421 11.758 -41.633 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.933 10.969 -43.299 1.00 0.00 C ATOM 392 CZ PHE A 26 1.156 10.736 -42.198 1.00 0.00 C ATOM 0 H PHE A 26 2.505 16.385 -44.991 1.00 0.00 H new ATOM 0 HA PHE A 26 1.936 15.958 -42.254 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.396 15.119 -43.802 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.640 14.565 -44.904 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.086 13.822 -41.728 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.588 12.401 -44.717 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.197 11.568 -40.768 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.508 10.166 -43.737 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.117 9.746 -41.768 1.00 0.00 H new ATOM 402 N LEU A 27 4.662 14.743 -43.341 1.00 0.00 N ATOM 403 CA LEU A 27 5.839 13.980 -42.967 1.00 0.00 C ATOM 404 C LEU A 27 6.340 14.425 -41.590 1.00 0.00 C ATOM 405 O LEU A 27 6.986 13.661 -40.873 1.00 0.00 O ATOM 406 CB LEU A 27 6.946 14.140 -44.002 1.00 0.00 C ATOM 407 CG LEU A 27 6.535 13.989 -45.469 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.739 14.056 -46.379 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.724 12.723 -45.703 1.00 0.00 C ATOM 0 H LEU A 27 4.769 15.297 -44.191 1.00 0.00 H new ATOM 0 HA LEU A 27 5.561 12.927 -42.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.394 15.125 -43.873 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.722 13.406 -43.788 1.00 0.00 H new ATOM 0 HG LEU A 27 5.886 14.829 -45.715 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.419 13.946 -47.415 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.237 15.017 -46.253 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.431 13.253 -46.126 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.453 12.654 -46.756 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.319 11.853 -45.424 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.819 12.753 -45.096 1.00 0.00 H new ATOM 421 N ARG A 28 5.978 15.644 -41.202 1.00 0.00 N ATOM 422 CA ARG A 28 6.352 16.153 -39.898 1.00 0.00 C ATOM 423 C ARG A 28 5.468 15.461 -38.870 1.00 0.00 C ATOM 424 O ARG A 28 5.948 14.892 -37.918 1.00 0.00 O ATOM 425 CB ARG A 28 6.161 17.678 -39.784 1.00 0.00 C ATOM 426 CG ARG A 28 6.691 18.508 -40.953 1.00 0.00 C ATOM 427 CD ARG A 28 8.119 18.162 -41.340 1.00 0.00 C ATOM 428 NE ARG A 28 9.115 18.409 -40.281 1.00 0.00 N ATOM 429 CZ ARG A 28 10.452 18.237 -40.443 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.942 17.873 -41.624 1.00 0.00 N ATOM 431 NH2 ARG A 28 11.281 18.437 -39.430 1.00 0.00 N ATOM 0 H ARG A 28 5.430 16.289 -41.771 1.00 0.00 H new ATOM 0 HA ARG A 28 7.410 15.951 -39.732 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.097 17.884 -39.671 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.650 18.018 -38.871 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.043 18.361 -41.817 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.639 19.565 -40.692 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.161 17.110 -41.623 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.394 18.741 -42.222 1.00 0.00 H new ATOM 0 HE ARG A 28 8.779 18.728 -39.372 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.313 17.722 -42.413 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.947 17.745 -41.742 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.916 18.722 -38.521 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.284 18.306 -39.559 1.00 0.00 H new ATOM 445 N LEU A 29 4.166 15.439 -39.158 1.00 0.00 N ATOM 446 CA LEU A 29 3.144 14.819 -38.297 1.00 0.00 C ATOM 447 C LEU A 29 3.449 13.333 -38.138 1.00 0.00 C ATOM 448 O LEU A 29 3.257 12.760 -37.069 1.00 0.00 O ATOM 449 CB LEU A 29 1.735 15.035 -38.944 1.00 0.00 C ATOM 450 CG LEU A 29 0.436 14.743 -38.115 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.146 13.273 -37.993 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.500 15.370 -36.730 1.00 0.00 C ATOM 0 H LEU A 29 3.781 15.855 -40.006 1.00 0.00 H new ATOM 0 HA LEU A 29 3.151 15.279 -37.309 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.684 16.074 -39.270 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.692 14.417 -39.841 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.381 15.201 -38.673 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.764 13.129 -37.410 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.012 12.845 -38.986 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.979 12.778 -37.494 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.418 15.146 -36.186 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.353 14.964 -36.186 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.611 16.450 -36.824 1.00 0.00 H new ATOM 464 N ARG A 30 3.973 12.721 -39.194 1.00 0.00 N ATOM 465 CA ARG A 30 4.285 11.303 -39.145 1.00 0.00 C ATOM 466 C ARG A 30 5.489 11.076 -38.241 1.00 0.00 C ATOM 467 O ARG A 30 5.580 10.080 -37.546 1.00 0.00 O ATOM 468 CB ARG A 30 4.488 10.705 -40.554 1.00 0.00 C ATOM 469 CG ARG A 30 5.933 10.537 -41.016 1.00 0.00 C ATOM 470 CD ARG A 30 6.001 10.001 -42.432 1.00 0.00 C ATOM 471 NE ARG A 30 7.318 9.427 -42.737 1.00 0.00 N ATOM 472 CZ ARG A 30 7.778 9.138 -43.965 1.00 0.00 C ATOM 473 NH1 ARG A 30 7.072 9.448 -45.046 1.00 0.00 N ATOM 474 NH2 ARG A 30 8.938 8.508 -44.102 1.00 0.00 N ATOM 0 H ARG A 30 4.187 13.178 -40.080 1.00 0.00 H new ATOM 0 HA ARG A 30 3.432 10.773 -38.720 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.004 9.729 -40.584 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.971 11.340 -41.273 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.448 11.496 -40.963 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.455 9.858 -40.342 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.233 9.240 -42.570 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.783 10.805 -43.135 1.00 0.00 H new ATOM 0 HE ARG A 30 7.936 9.231 -41.949 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.168 9.911 -44.949 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.433 9.223 -45.973 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.476 8.245 -43.276 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.291 8.286 -45.033 1.00 0.00 H new ATOM 488 N SER A 31 6.368 12.044 -38.217 1.00 0.00 N ATOM 489 CA SER A 31 7.526 11.994 -37.353 1.00 0.00 C ATOM 490 C SER A 31 7.087 12.144 -35.892 1.00 0.00 C ATOM 491 O SER A 31 7.656 11.522 -34.993 1.00 0.00 O ATOM 492 CB SER A 31 8.534 13.066 -37.750 1.00 0.00 C ATOM 493 OG SER A 31 8.923 12.908 -39.118 1.00 0.00 O ATOM 0 H SER A 31 6.305 12.885 -38.790 1.00 0.00 H new ATOM 0 HA SER A 31 8.018 11.028 -37.463 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.100 14.055 -37.601 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.412 13.004 -37.107 1.00 0.00 H new ATOM 0 HG SER A 31 8.228 13.280 -39.701 1.00 0.00 H new ATOM 499 N LEU A 32 6.016 12.910 -35.686 1.00 0.00 N ATOM 500 CA LEU A 32 5.438 13.104 -34.354 1.00 0.00 C ATOM 501 C LEU A 32 4.893 11.795 -33.823 1.00 0.00 C ATOM 502 O LEU A 32 4.962 11.517 -32.633 1.00 0.00 O ATOM 503 CB LEU A 32 4.311 14.155 -34.369 1.00 0.00 C ATOM 504 CG LEU A 32 4.688 15.631 -34.130 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.291 15.808 -32.760 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.630 16.163 -35.183 1.00 0.00 C ATOM 0 H LEU A 32 5.528 13.410 -36.429 1.00 0.00 H new ATOM 0 HA LEU A 32 6.235 13.464 -33.704 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.809 14.092 -35.335 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.581 13.871 -33.611 1.00 0.00 H new ATOM 0 HG LEU A 32 3.766 16.208 -34.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.551 16.856 -32.609 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.570 15.500 -32.003 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.189 15.196 -32.676 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.864 17.206 -34.968 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.549 15.577 -35.179 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.158 16.091 -36.163 1.00 0.00 H new ATOM 518 N MET A 33 4.360 10.996 -34.722 1.00 0.00 N ATOM 519 CA MET A 33 3.808 9.703 -34.397 1.00 0.00 C ATOM 520 C MET A 33 4.838 8.814 -33.740 1.00 0.00 C ATOM 521 O MET A 33 4.602 8.280 -32.662 1.00 0.00 O ATOM 522 CB MET A 33 3.332 9.011 -35.648 1.00 0.00 C ATOM 523 CG MET A 33 2.329 9.771 -36.434 1.00 0.00 C ATOM 524 SD MET A 33 1.844 8.859 -37.885 1.00 0.00 S ATOM 525 CE MET A 33 0.687 9.984 -38.603 1.00 0.00 C ATOM 0 H MET A 33 4.298 11.232 -35.712 1.00 0.00 H new ATOM 0 HA MET A 33 2.979 9.871 -33.709 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.193 8.807 -36.284 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.904 8.047 -35.373 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.454 9.974 -35.817 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.744 10.736 -36.726 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.027 9.431 -39.213 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.156 10.514 -37.812 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.218 10.702 -39.228 1.00 0.00 H new ATOM 535 N TYR A 34 5.984 8.678 -34.380 1.00 0.00 N ATOM 536 CA TYR A 34 7.023 7.782 -33.892 1.00 0.00 C ATOM 537 C TYR A 34 7.763 8.410 -32.726 1.00 0.00 C ATOM 538 O TYR A 34 8.447 7.722 -31.962 1.00 0.00 O ATOM 539 CB TYR A 34 7.973 7.416 -35.018 1.00 0.00 C ATOM 540 CG TYR A 34 7.244 6.969 -36.270 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.292 5.943 -36.237 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.468 7.610 -37.474 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.610 5.579 -37.374 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.783 7.250 -38.614 1.00 0.00 C ATOM 545 CZ TYR A 34 5.858 6.237 -38.561 1.00 0.00 C ATOM 546 OH TYR A 34 5.166 5.881 -39.701 1.00 0.00 O ATOM 0 H TYR A 34 6.222 9.175 -35.239 1.00 0.00 H new ATOM 0 HA TYR A 34 6.557 6.864 -33.533 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.600 8.276 -35.254 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.637 6.619 -34.684 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.091 5.431 -35.307 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.194 8.408 -37.522 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.883 4.781 -37.338 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.973 7.763 -39.545 1.00 0.00 H new ATOM 0 HH TYR A 34 4.206 6.012 -39.555 1.00 0.00 H new ATOM 556 N ASP A 35 7.645 9.728 -32.612 1.00 0.00 N ATOM 557 CA ASP A 35 8.151 10.457 -31.449 1.00 0.00 C ATOM 558 C ASP A 35 7.321 10.052 -30.237 1.00 0.00 C ATOM 559 O ASP A 35 7.815 9.960 -29.115 1.00 0.00 O ATOM 560 CB ASP A 35 8.050 11.968 -31.664 1.00 0.00 C ATOM 561 CG ASP A 35 8.607 12.765 -30.506 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.824 13.044 -30.494 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.851 13.134 -29.582 1.00 0.00 O ATOM 0 H ASP A 35 7.201 10.319 -33.315 1.00 0.00 H new ATOM 0 HA ASP A 35 9.202 10.211 -31.295 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.585 12.237 -32.575 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.005 12.239 -31.816 1.00 0.00 H new ATOM 568 N MET A 36 6.058 9.795 -30.497 1.00 0.00 N ATOM 569 CA MET A 36 5.134 9.309 -29.515 1.00 0.00 C ATOM 570 C MET A 36 5.114 7.769 -29.554 1.00 0.00 C ATOM 571 O MET A 36 6.121 7.144 -29.856 1.00 0.00 O ATOM 572 CB MET A 36 3.740 9.918 -29.757 1.00 0.00 C ATOM 573 CG MET A 36 3.670 11.407 -29.438 1.00 0.00 C ATOM 574 SD MET A 36 2.038 12.137 -29.736 1.00 0.00 S ATOM 575 CE MET A 36 1.951 12.107 -31.526 1.00 0.00 C ATOM 0 H MET A 36 5.643 9.923 -31.420 1.00 0.00 H new ATOM 0 HA MET A 36 5.448 9.614 -28.517 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.459 9.763 -30.799 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.008 9.388 -29.147 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.942 11.559 -28.393 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.410 11.934 -30.040 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.972 12.461 -31.849 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.725 12.754 -31.939 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.104 11.088 -31.881 1.00 0.00 H new ATOM 585 N ASN A 37 3.985 7.163 -29.252 1.00 0.00 N ATOM 586 CA ASN A 37 3.914 5.691 -29.120 1.00 0.00 C ATOM 587 C ASN A 37 3.463 4.965 -30.390 1.00 0.00 C ATOM 588 O ASN A 37 3.299 3.737 -30.381 1.00 0.00 O ATOM 589 CB ASN A 37 3.010 5.281 -27.956 1.00 0.00 C ATOM 590 CG ASN A 37 3.598 5.493 -26.565 1.00 0.00 C ATOM 591 OD1 ASN A 37 4.385 6.515 -26.402 1.00 0.00 O flip ATOM 592 ND2 ASN A 37 3.305 4.751 -25.633 1.00 0.00 N flip ATOM 0 H ASN A 37 3.101 7.646 -29.091 1.00 0.00 H new ATOM 0 HA ASN A 37 4.941 5.381 -28.926 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.078 5.842 -28.027 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.757 4.227 -28.068 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.685 3.956 -25.789 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.681 4.929 -24.702 1.00 0.00 H new ATOM 599 N PHE A 38 3.212 5.703 -31.444 1.00 0.00 N ATOM 600 CA PHE A 38 2.762 5.119 -32.729 1.00 0.00 C ATOM 601 C PHE A 38 3.821 4.217 -33.395 1.00 0.00 C ATOM 602 O PHE A 38 5.016 4.290 -33.080 1.00 0.00 O ATOM 603 CB PHE A 38 2.349 6.208 -33.697 1.00 0.00 C ATOM 604 CG PHE A 38 1.202 7.014 -33.207 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.418 8.125 -32.416 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.093 6.651 -33.512 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.374 8.857 -31.940 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.147 7.382 -33.033 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.903 8.490 -32.244 1.00 0.00 C ATOM 0 H PHE A 38 3.306 6.719 -31.458 1.00 0.00 H new ATOM 0 HA PHE A 38 1.906 4.489 -32.486 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.198 6.867 -33.878 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.086 5.756 -34.654 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.429 8.417 -32.172 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.277 5.786 -34.132 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.557 9.725 -31.324 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.161 7.095 -33.270 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.731 9.070 -31.865 1.00 0.00 H new ATOM 619 N SER A 39 3.369 3.383 -34.309 1.00 0.00 N ATOM 620 CA SER A 39 4.213 2.449 -35.024 1.00 0.00 C ATOM 621 C SER A 39 3.866 2.419 -36.523 1.00 0.00 C ATOM 622 O SER A 39 2.780 2.864 -36.942 1.00 0.00 O ATOM 623 CB SER A 39 4.006 1.055 -34.463 1.00 0.00 C ATOM 624 OG SER A 39 4.241 0.999 -33.058 1.00 0.00 O ATOM 0 H SER A 39 2.387 3.335 -34.580 1.00 0.00 H new ATOM 0 HA SER A 39 5.248 2.770 -34.903 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.987 0.729 -34.672 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.674 0.359 -34.969 1.00 0.00 H new ATOM 0 HG SER A 39 4.095 0.084 -32.738 1.00 0.00 H new ATOM 630 N SER A 40 4.784 1.876 -37.302 1.00 0.00 N ATOM 631 CA SER A 40 4.653 1.729 -38.729 1.00 0.00 C ATOM 632 C SER A 40 4.214 0.311 -39.081 1.00 0.00 C ATOM 633 O SER A 40 3.668 0.065 -40.173 1.00 0.00 O ATOM 634 CB SER A 40 6.003 1.946 -39.350 1.00 0.00 C ATOM 635 OG SER A 40 6.614 3.108 -38.839 1.00 0.00 O ATOM 0 H SER A 40 5.667 1.516 -36.941 1.00 0.00 H new ATOM 0 HA SER A 40 3.916 2.446 -39.092 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.639 1.082 -39.157 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.900 2.031 -40.432 1.00 0.00 H new ATOM 0 HG SER A 40 5.924 3.731 -38.528 1.00 0.00 H new ATOM 641 N ILE A 41 4.527 -0.607 -38.195 1.00 0.00 N ATOM 642 CA ILE A 41 4.219 -2.017 -38.333 1.00 0.00 C ATOM 643 C ILE A 41 3.466 -2.471 -37.083 1.00 0.00 C ATOM 644 O ILE A 41 3.713 -1.956 -35.986 1.00 0.00 O ATOM 645 CB ILE A 41 5.548 -2.894 -38.493 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.092 -2.931 -39.927 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.403 -4.308 -37.967 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.665 -1.646 -40.422 1.00 0.00 C ATOM 0 H ILE A 41 5.019 -0.388 -37.329 1.00 0.00 H new ATOM 0 HA ILE A 41 3.613 -2.157 -39.228 1.00 0.00 H new ATOM 0 HB ILE A 41 6.276 -2.373 -37.872 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.862 -3.701 -39.987 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.287 -3.233 -40.596 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.340 -4.846 -38.107 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.157 -4.278 -36.906 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.607 -4.818 -38.510 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.022 -1.776 -41.444 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.897 -0.873 -40.402 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.496 -1.348 -39.783 1.00 0.00 H new ATOM 660 N VAL A 42 2.550 -3.387 -37.252 1.00 0.00 N ATOM 661 CA VAL A 42 1.837 -3.992 -36.147 1.00 0.00 C ATOM 662 C VAL A 42 1.421 -5.394 -36.577 1.00 0.00 C ATOM 663 O VAL A 42 1.208 -5.641 -37.774 1.00 0.00 O ATOM 664 CB VAL A 42 0.589 -3.145 -35.715 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.425 -3.070 -36.820 1.00 0.00 C ATOM 666 CG2 VAL A 42 -0.050 -3.673 -34.439 1.00 0.00 C ATOM 0 H VAL A 42 2.272 -3.741 -38.167 1.00 0.00 H new ATOM 0 HA VAL A 42 2.489 -4.035 -35.275 1.00 0.00 H new ATOM 0 HB VAL A 42 0.950 -2.138 -35.507 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.278 -2.477 -36.491 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.025 -2.603 -37.696 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.759 -4.075 -37.076 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.909 -3.055 -34.180 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.376 -4.701 -34.594 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.677 -3.642 -33.628 1.00 0.00 H new ATOM 676 N ALA A 43 1.390 -6.309 -35.649 1.00 0.00 N ATOM 677 CA ALA A 43 0.966 -7.657 -35.929 1.00 0.00 C ATOM 678 C ALA A 43 -0.539 -7.698 -36.129 1.00 0.00 C ATOM 679 O ALA A 43 -1.296 -7.117 -35.337 1.00 0.00 O ATOM 680 CB ALA A 43 1.371 -8.580 -34.801 1.00 0.00 C ATOM 0 H ALA A 43 1.657 -6.145 -34.678 1.00 0.00 H new ATOM 0 HA ALA A 43 1.452 -7.995 -36.844 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.044 -9.595 -35.026 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.455 -8.564 -34.689 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.906 -8.247 -33.873 1.00 0.00 H new ATOM 686 N ASP A 44 -0.958 -8.360 -37.177 1.00 0.00 N ATOM 687 CA ASP A 44 -2.371 -8.502 -37.515 1.00 0.00 C ATOM 688 C ASP A 44 -3.040 -9.590 -36.669 1.00 0.00 C ATOM 689 O ASP A 44 -2.570 -9.942 -35.578 1.00 0.00 O ATOM 690 CB ASP A 44 -2.558 -8.793 -39.040 1.00 0.00 C ATOM 691 CG ASP A 44 -1.940 -10.095 -39.537 1.00 0.00 C ATOM 692 OD1 ASP A 44 -1.563 -10.936 -38.727 1.00 0.00 O ATOM 693 OD2 ASP A 44 -1.830 -10.276 -40.750 1.00 0.00 O ATOM 0 H ASP A 44 -0.330 -8.824 -37.833 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.859 -7.554 -37.288 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.625 -8.809 -39.261 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.128 -7.967 -39.606 1.00 0.00 H new ATOM 698 N GLU A 45 -4.144 -10.101 -37.157 1.00 0.00 N ATOM 699 CA GLU A 45 -4.887 -11.125 -36.458 1.00 0.00 C ATOM 700 C GLU A 45 -4.201 -12.490 -36.571 1.00 0.00 C ATOM 701 O GLU A 45 -4.452 -13.383 -35.764 1.00 0.00 O ATOM 702 CB GLU A 45 -6.310 -11.203 -36.990 1.00 0.00 C ATOM 703 CG GLU A 45 -6.428 -11.760 -38.393 1.00 0.00 C ATOM 704 CD GLU A 45 -7.821 -11.625 -38.928 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.759 -12.178 -38.323 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.020 -10.967 -39.953 1.00 0.00 O ATOM 0 H GLU A 45 -4.553 -9.820 -38.048 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.918 -10.853 -35.403 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.902 -11.822 -36.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.746 -10.204 -36.972 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.733 -11.238 -39.051 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.139 -12.811 -38.393 1.00 0.00 H new ATOM 713 N TYR A 46 -3.338 -12.647 -37.556 1.00 0.00 N ATOM 714 CA TYR A 46 -2.654 -13.903 -37.769 1.00 0.00 C ATOM 715 C TYR A 46 -1.319 -13.876 -37.042 1.00 0.00 C ATOM 716 O TYR A 46 -0.748 -14.915 -36.700 1.00 0.00 O ATOM 717 CB TYR A 46 -2.409 -14.131 -39.253 1.00 0.00 C ATOM 718 CG TYR A 46 -3.634 -13.974 -40.098 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.640 -14.924 -40.085 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.793 -12.859 -40.898 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.767 -14.773 -40.852 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.915 -12.696 -41.668 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.905 -13.659 -41.643 1.00 0.00 C ATOM 724 OH TYR A 46 -7.039 -13.508 -42.416 1.00 0.00 O ATOM 0 H TYR A 46 -3.095 -11.915 -38.223 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.276 -14.712 -37.385 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.649 -13.430 -39.598 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.007 -15.134 -39.396 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.536 -15.799 -39.460 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.021 -12.104 -40.917 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.541 -15.526 -40.834 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.024 -11.820 -42.290 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.984 -12.667 -42.917 1.00 0.00 H new ATOM 734 N GLY A 47 -0.825 -12.686 -36.838 1.00 0.00 N ATOM 735 CA GLY A 47 0.423 -12.489 -36.166 1.00 0.00 C ATOM 736 C GLY A 47 1.482 -12.027 -37.134 1.00 0.00 C ATOM 737 O GLY A 47 2.678 -12.161 -36.878 1.00 0.00 O ATOM 0 H GLY A 47 -1.281 -11.824 -37.136 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.302 -11.752 -35.372 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.737 -13.419 -35.692 1.00 0.00 H new ATOM 741 N ILE A 48 1.044 -11.501 -38.258 1.00 0.00 N ATOM 742 CA ILE A 48 1.939 -11.021 -39.274 1.00 0.00 C ATOM 743 C ILE A 48 2.148 -9.525 -39.115 1.00 0.00 C ATOM 744 O ILE A 48 1.177 -8.767 -39.006 1.00 0.00 O ATOM 745 CB ILE A 48 1.465 -11.388 -40.743 1.00 0.00 C ATOM 746 CG1 ILE A 48 1.860 -12.828 -41.102 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.028 -10.433 -41.794 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.223 -13.894 -40.254 1.00 0.00 C ATOM 0 H ILE A 48 0.056 -11.397 -38.488 1.00 0.00 H new ATOM 0 HA ILE A 48 2.892 -11.531 -39.135 1.00 0.00 H new ATOM 0 HB ILE A 48 0.379 -11.293 -40.748 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.599 -13.011 -42.144 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.943 -12.922 -41.023 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.673 -10.729 -42.781 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.696 -9.418 -41.578 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.117 -10.471 -41.774 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.564 -14.875 -40.585 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.503 -13.745 -39.211 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.139 -13.836 -40.350 1.00 0.00 H new ATOM 760 N PRO A 49 3.411 -9.090 -39.028 1.00 0.00 N ATOM 761 CA PRO A 49 3.752 -7.678 -38.923 1.00 0.00 C ATOM 762 C PRO A 49 3.425 -6.929 -40.227 1.00 0.00 C ATOM 763 O PRO A 49 4.147 -7.019 -41.229 1.00 0.00 O ATOM 764 CB PRO A 49 5.264 -7.682 -38.647 1.00 0.00 C ATOM 765 CG PRO A 49 5.752 -8.989 -39.169 1.00 0.00 C ATOM 766 CD PRO A 49 4.611 -9.956 -39.020 1.00 0.00 C ATOM 0 HA PRO A 49 3.186 -7.167 -38.144 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.758 -6.849 -39.147 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.470 -7.582 -37.581 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.054 -8.902 -40.213 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.625 -9.329 -38.612 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.589 -10.678 -39.837 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.687 -10.525 -38.094 1.00 0.00 H new ATOM 774 N ARG A 50 2.318 -6.250 -40.215 1.00 0.00 N ATOM 775 CA ARG A 50 1.832 -5.529 -41.364 1.00 0.00 C ATOM 776 C ARG A 50 2.309 -4.098 -41.343 1.00 0.00 C ATOM 777 O ARG A 50 2.510 -3.519 -40.271 1.00 0.00 O ATOM 778 CB ARG A 50 0.325 -5.500 -41.330 1.00 0.00 C ATOM 779 CG ARG A 50 -0.353 -6.845 -41.371 1.00 0.00 C ATOM 780 CD ARG A 50 -0.267 -7.503 -42.721 1.00 0.00 C ATOM 781 NE ARG A 50 -1.074 -8.710 -42.720 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.778 -9.198 -43.727 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.752 -8.622 -44.929 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.527 -10.268 -43.502 1.00 0.00 N ATOM 0 H ARG A 50 1.714 -6.177 -39.396 1.00 0.00 H new ATOM 0 HA ARG A 50 2.203 -6.030 -42.258 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.010 -4.982 -40.424 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.028 -4.909 -42.175 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.100 -7.498 -40.625 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.401 -6.726 -41.096 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.616 -6.819 -43.494 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.770 -7.745 -42.955 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.101 -9.239 -41.848 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.182 -7.790 -45.084 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.302 -9.013 -45.694 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.548 -10.690 -42.574 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.082 -10.670 -44.257 1.00 0.00 H new ATOM 798 N GLN A 51 2.485 -3.538 -42.513 1.00 0.00 N ATOM 799 CA GLN A 51 2.787 -2.140 -42.664 1.00 0.00 C ATOM 800 C GLN A 51 1.509 -1.358 -42.666 1.00 0.00 C ATOM 801 O GLN A 51 0.460 -1.837 -43.110 1.00 0.00 O ATOM 802 CB GLN A 51 3.528 -1.872 -43.945 1.00 0.00 C ATOM 803 CG GLN A 51 5.006 -1.825 -43.783 1.00 0.00 C ATOM 804 CD GLN A 51 5.484 -0.394 -43.747 1.00 0.00 C ATOM 805 OE1 GLN A 51 5.837 0.165 -44.759 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.406 0.236 -42.616 1.00 0.00 N ATOM 0 H GLN A 51 2.422 -4.046 -43.395 1.00 0.00 H new ATOM 0 HA GLN A 51 3.422 -1.837 -41.831 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.275 -2.646 -44.669 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.187 -0.924 -44.360 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.294 -2.335 -42.864 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.486 -2.355 -44.606 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.105 -0.259 -41.776 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.645 1.226 -42.566 1.00 0.00 H new ATOM 815 N LEU A 52 1.593 -0.176 -42.182 1.00 0.00 N ATOM 816 CA LEU A 52 0.436 0.649 -42.001 1.00 0.00 C ATOM 817 C LEU A 52 0.478 1.864 -42.887 1.00 0.00 C ATOM 818 O LEU A 52 -0.573 2.391 -43.264 1.00 0.00 O ATOM 819 CB LEU A 52 0.438 1.043 -40.536 1.00 0.00 C ATOM 820 CG LEU A 52 0.524 -0.161 -39.611 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.708 0.263 -38.195 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.705 -1.045 -39.776 1.00 0.00 C ATOM 0 H LEU A 52 2.469 0.260 -41.895 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.474 0.115 -42.273 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.280 1.707 -40.343 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.469 1.605 -40.313 1.00 0.00 H new ATOM 0 HG LEU A 52 1.400 -0.748 -39.888 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.766 -0.618 -37.556 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.629 0.839 -38.104 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.137 0.879 -37.887 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.629 -1.903 -39.107 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.600 -0.473 -39.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.767 -1.393 -40.807 1.00 0.00 H new ATOM 834 N ASN A 53 1.699 2.216 -43.311 1.00 0.00 N ATOM 835 CA ASN A 53 2.084 3.510 -44.021 1.00 0.00 C ATOM 836 C ASN A 53 1.426 3.723 -45.382 1.00 0.00 C ATOM 837 O ASN A 53 1.878 4.499 -46.208 1.00 0.00 O ATOM 838 CB ASN A 53 3.616 3.623 -44.134 1.00 0.00 C ATOM 839 CG ASN A 53 4.315 3.418 -42.797 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.474 3.024 -42.736 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.599 3.596 -41.719 1.00 0.00 N ATOM 0 H ASN A 53 2.502 1.602 -43.178 1.00 0.00 H new ATOM 0 HA ASN A 53 1.692 4.310 -43.392 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.980 2.884 -44.848 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.877 4.604 -44.530 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.003 3.406 -40.802 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.636 3.925 -41.795 1.00 0.00 H new ATOM 848 N GLU A 54 0.355 3.086 -45.547 1.00 0.00 N ATOM 849 CA GLU A 54 -0.490 3.204 -46.676 1.00 0.00 C ATOM 850 C GLU A 54 -1.447 4.368 -46.417 1.00 0.00 C ATOM 851 O GLU A 54 -1.769 5.146 -47.313 1.00 0.00 O ATOM 852 CB GLU A 54 -1.274 1.926 -46.805 1.00 0.00 C ATOM 853 CG GLU A 54 -0.387 0.721 -46.934 1.00 0.00 C ATOM 854 CD GLU A 54 0.332 0.665 -48.247 1.00 0.00 C ATOM 855 OE1 GLU A 54 -0.319 0.410 -49.273 1.00 0.00 O ATOM 856 OE2 GLU A 54 1.554 0.889 -48.280 1.00 0.00 O ATOM 0 H GLU A 54 0.007 2.418 -44.859 1.00 0.00 H new ATOM 0 HA GLU A 54 0.079 3.381 -47.589 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.918 1.808 -45.933 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.926 1.989 -47.676 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.344 0.726 -46.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.988 -0.181 -46.816 1.00 0.00 H new ATOM 863 N ASN A 55 -1.848 4.496 -45.142 1.00 0.00 N ATOM 864 CA ASN A 55 -2.784 5.552 -44.684 1.00 0.00 C ATOM 865 C ASN A 55 -2.973 5.468 -43.163 1.00 0.00 C ATOM 866 O ASN A 55 -3.235 6.467 -42.496 1.00 0.00 O ATOM 867 CB ASN A 55 -4.179 5.436 -45.382 1.00 0.00 C ATOM 868 CG ASN A 55 -5.263 4.717 -44.551 1.00 0.00 C ATOM 869 OD1 ASN A 55 -5.304 3.409 -44.610 1.00 0.00 O flip ATOM 870 ND2 ASN A 55 -6.021 5.345 -43.820 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.537 3.874 -44.396 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.345 6.513 -44.954 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.532 6.438 -45.624 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.054 4.906 -46.326 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.972 6.363 -43.789 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.700 4.849 -43.243 1.00 0.00 H new ATOM 877 N SER A 56 -2.858 4.269 -42.624 1.00 0.00 N ATOM 878 CA SER A 56 -3.067 4.063 -41.231 1.00 0.00 C ATOM 879 C SER A 56 -1.765 3.900 -40.485 1.00 0.00 C ATOM 880 O SER A 56 -0.710 3.842 -41.080 1.00 0.00 O ATOM 881 CB SER A 56 -3.976 2.865 -41.025 1.00 0.00 C ATOM 882 OG SER A 56 -5.207 3.061 -41.708 1.00 0.00 O ATOM 0 H SER A 56 -2.619 3.427 -43.147 1.00 0.00 H new ATOM 0 HA SER A 56 -3.551 4.949 -40.820 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.488 1.962 -41.391 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.161 2.718 -39.961 1.00 0.00 H new ATOM 0 HG SER A 56 -5.058 2.999 -42.675 1.00 0.00 H new ATOM 888 N PHE A 57 -1.848 3.913 -39.190 1.00 0.00 N ATOM 889 CA PHE A 57 -0.728 3.697 -38.315 1.00 0.00 C ATOM 890 C PHE A 57 -1.275 3.040 -37.084 1.00 0.00 C ATOM 891 O PHE A 57 -2.487 3.004 -36.914 1.00 0.00 O ATOM 892 CB PHE A 57 -0.033 5.014 -37.937 1.00 0.00 C ATOM 893 CG PHE A 57 0.443 5.826 -39.113 1.00 0.00 C ATOM 894 CD1 PHE A 57 -0.399 6.745 -39.734 1.00 0.00 C ATOM 895 CD2 PHE A 57 1.715 5.638 -39.624 1.00 0.00 C ATOM 896 CE1 PHE A 57 0.025 7.451 -40.842 1.00 0.00 C ATOM 897 CE2 PHE A 57 2.144 6.352 -40.726 1.00 0.00 C ATOM 898 CZ PHE A 57 1.300 7.254 -41.337 1.00 0.00 C ATOM 0 H PHE A 57 -2.723 4.079 -38.694 1.00 0.00 H new ATOM 0 HA PHE A 57 0.021 3.081 -38.812 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.723 5.619 -37.349 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.820 4.790 -37.297 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.393 6.907 -39.345 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.379 4.926 -39.157 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.638 8.156 -41.321 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.143 6.203 -41.109 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.635 7.807 -42.202 1.00 0.00 H new ATOM 908 N ALA A 58 -0.434 2.524 -36.250 1.00 0.00 N ATOM 909 CA ALA A 58 -0.887 1.865 -35.052 1.00 0.00 C ATOM 910 C ALA A 58 -0.228 2.477 -33.885 1.00 0.00 C ATOM 911 O ALA A 58 0.699 3.253 -34.045 1.00 0.00 O ATOM 912 CB ALA A 58 -0.606 0.372 -35.087 1.00 0.00 C ATOM 0 H ALA A 58 0.579 2.542 -36.370 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.967 1.990 -34.980 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.963 -0.087 -34.165 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.120 -0.075 -35.938 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.467 0.206 -35.183 1.00 0.00 H new ATOM 918 N ILE A 59 -0.701 2.161 -32.729 1.00 0.00 N ATOM 919 CA ILE A 59 -0.125 2.647 -31.540 1.00 0.00 C ATOM 920 C ILE A 59 -0.364 1.674 -30.413 1.00 0.00 C ATOM 921 O ILE A 59 -1.418 1.013 -30.351 1.00 0.00 O ATOM 922 CB ILE A 59 -0.661 4.059 -31.179 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.048 4.578 -29.943 1.00 0.00 C ATOM 924 CG2 ILE A 59 -2.173 4.041 -30.961 1.00 0.00 C ATOM 925 CD1 ILE A 59 -0.157 6.029 -29.695 1.00 0.00 C ATOM 0 H ILE A 59 -1.507 1.551 -32.590 1.00 0.00 H new ATOM 0 HA ILE A 59 0.949 2.743 -31.699 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.457 4.727 -32.016 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.300 4.018 -29.075 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.116 4.384 -30.040 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.516 5.045 -30.710 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.668 3.706 -31.872 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.415 3.360 -30.145 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.381 6.324 -28.794 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.218 6.600 -30.545 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.220 6.229 -29.564 1.00 0.00 H new ATOM 937 N THR A 60 0.605 1.558 -29.571 1.00 0.00 N ATOM 938 CA THR A 60 0.514 0.768 -28.429 1.00 0.00 C ATOM 939 C THR A 60 0.298 1.757 -27.268 1.00 0.00 C ATOM 940 O THR A 60 1.191 2.485 -26.837 1.00 0.00 O ATOM 941 CB THR A 60 1.781 -0.172 -28.280 1.00 0.00 C ATOM 942 OG1 THR A 60 1.586 -1.142 -27.263 1.00 0.00 O ATOM 943 CG2 THR A 60 3.076 0.588 -28.009 1.00 0.00 C ATOM 0 H THR A 60 1.502 2.031 -29.677 1.00 0.00 H new ATOM 0 HA THR A 60 -0.316 0.062 -28.460 1.00 0.00 H new ATOM 0 HB THR A 60 1.888 -0.664 -29.247 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.383 -1.709 -27.194 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.901 -0.119 -27.919 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.275 1.274 -28.833 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.979 1.153 -27.082 1.00 0.00 H new ATOM 951 N THR A 61 -0.927 1.896 -26.901 1.00 0.00 N ATOM 952 CA THR A 61 -1.307 2.848 -25.910 1.00 0.00 C ATOM 953 C THR A 61 -2.494 2.321 -25.140 1.00 0.00 C ATOM 954 O THR A 61 -3.189 1.440 -25.603 1.00 0.00 O ATOM 955 CB THR A 61 -1.668 4.215 -26.566 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.845 5.199 -25.554 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.956 4.115 -27.381 1.00 0.00 C ATOM 0 H THR A 61 -1.701 1.350 -27.280 1.00 0.00 H new ATOM 0 HA THR A 61 -0.467 3.004 -25.233 1.00 0.00 H new ATOM 0 HB THR A 61 -0.850 4.494 -27.231 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.581 6.077 -25.901 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.181 5.084 -27.826 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.831 3.374 -28.170 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.777 3.816 -26.729 1.00 0.00 H new ATOM 965 N SER A 62 -2.708 2.826 -23.975 1.00 0.00 N ATOM 966 CA SER A 62 -3.822 2.415 -23.199 1.00 0.00 C ATOM 967 C SER A 62 -4.822 3.565 -23.013 1.00 0.00 C ATOM 968 O SER A 62 -5.803 3.429 -22.266 1.00 0.00 O ATOM 969 CB SER A 62 -3.334 1.827 -21.875 1.00 0.00 C ATOM 970 OG SER A 62 -4.402 1.511 -20.985 1.00 0.00 O ATOM 0 H SER A 62 -2.118 3.533 -23.536 1.00 0.00 H new ATOM 0 HA SER A 62 -4.365 1.631 -23.727 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.754 0.926 -22.074 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.663 2.537 -21.392 1.00 0.00 H new ATOM 0 HG SER A 62 -5.193 2.039 -21.223 1.00 0.00 H new ATOM 976 N LEU A 63 -4.582 4.687 -23.685 1.00 0.00 N ATOM 977 CA LEU A 63 -5.530 5.779 -23.659 1.00 0.00 C ATOM 978 C LEU A 63 -6.666 5.511 -24.621 1.00 0.00 C ATOM 979 O LEU A 63 -6.656 4.506 -25.338 1.00 0.00 O ATOM 980 CB LEU A 63 -4.857 7.158 -23.866 1.00 0.00 C ATOM 981 CG LEU A 63 -3.897 7.324 -25.037 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.601 7.515 -26.339 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.879 8.419 -24.776 1.00 0.00 C ATOM 0 H LEU A 63 -3.747 4.856 -24.246 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.960 5.832 -22.659 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.647 7.901 -23.976 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.314 7.403 -22.953 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.350 6.385 -25.124 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.867 7.628 -27.137 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.229 6.648 -26.544 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.222 8.409 -26.289 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.212 8.508 -25.633 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.395 9.366 -24.619 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.297 8.171 -23.888 1.00 0.00 H new ATOM 995 N ALA A 64 -7.611 6.392 -24.671 1.00 0.00 N ATOM 996 CA ALA A 64 -8.799 6.107 -25.426 1.00 0.00 C ATOM 997 C ALA A 64 -8.737 6.708 -26.808 1.00 0.00 C ATOM 998 O ALA A 64 -7.881 7.537 -27.082 1.00 0.00 O ATOM 999 CB ALA A 64 -10.049 6.545 -24.677 1.00 0.00 C ATOM 0 H ALA A 64 -7.591 7.301 -24.209 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.856 5.026 -25.550 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.931 6.315 -25.275 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.108 6.015 -23.726 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.005 7.618 -24.492 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.669 6.318 -27.656 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.735 6.765 -29.029 1.00 0.00 C ATOM 1007 C ALA A 65 -9.867 8.276 -29.103 1.00 0.00 C ATOM 1008 O ALA A 65 -9.162 8.943 -29.866 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.883 6.074 -29.742 1.00 0.00 C ATOM 0 H ALA A 65 -10.414 5.669 -27.403 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.806 6.496 -29.532 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.927 6.415 -30.776 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.727 4.995 -29.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.820 6.314 -29.240 1.00 0.00 H new ATOM 1015 N SER A 66 -10.709 8.809 -28.245 1.00 0.00 N ATOM 1016 CA SER A 66 -10.942 10.232 -28.149 1.00 0.00 C ATOM 1017 C SER A 66 -9.678 10.962 -27.616 1.00 0.00 C ATOM 1018 O SER A 66 -9.522 12.176 -27.783 1.00 0.00 O ATOM 1019 CB SER A 66 -12.123 10.445 -27.216 1.00 0.00 C ATOM 1020 OG SER A 66 -13.179 9.551 -27.561 1.00 0.00 O ATOM 0 H SER A 66 -11.258 8.258 -27.586 1.00 0.00 H new ATOM 0 HA SER A 66 -11.161 10.646 -29.133 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.817 10.279 -26.183 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.470 11.476 -27.284 1.00 0.00 H new ATOM 0 HG SER A 66 -13.937 9.691 -26.956 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.769 10.202 -27.017 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.551 10.746 -26.480 1.00 0.00 C ATOM 1028 C GLU A 67 -6.499 10.777 -27.561 1.00 0.00 C ATOM 1029 O GLU A 67 -5.832 11.786 -27.732 1.00 0.00 O ATOM 1030 CB GLU A 67 -7.053 9.920 -25.289 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.954 9.953 -24.075 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.004 11.315 -23.442 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.990 11.729 -22.832 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.050 11.976 -23.502 1.00 0.00 O ATOM 0 H GLU A 67 -8.865 9.194 -26.895 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.749 11.758 -26.127 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.933 8.884 -25.607 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.066 10.281 -25.001 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.961 9.651 -24.364 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.601 9.227 -23.343 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.376 9.661 -28.314 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.377 9.552 -29.394 1.00 0.00 C ATOM 1043 C ILE A 68 -5.534 10.693 -30.373 1.00 0.00 C ATOM 1044 O ILE A 68 -4.554 11.287 -30.790 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.461 8.240 -30.219 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.954 7.069 -29.384 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -4.100 7.930 -30.810 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.735 5.701 -29.976 1.00 0.00 C ATOM 0 H ILE A 68 -6.954 8.829 -28.193 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.416 9.571 -28.880 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.187 8.390 -31.018 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.460 7.107 -28.413 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.021 7.199 -29.204 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.156 7.009 -31.390 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.790 8.749 -31.459 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.373 7.809 -30.007 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.125 4.944 -29.296 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.253 5.631 -30.932 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.668 5.537 -30.129 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.779 10.997 -30.722 1.00 0.00 N ATOM 1061 CA GLU A 69 -7.074 12.086 -31.634 1.00 0.00 C ATOM 1062 C GLU A 69 -6.471 13.376 -31.148 1.00 0.00 C ATOM 1063 O GLU A 69 -5.634 13.954 -31.823 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.570 12.263 -31.826 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.231 11.108 -32.515 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.727 11.240 -32.557 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.386 11.045 -31.517 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.289 11.530 -33.633 1.00 0.00 O ATOM 0 H GLU A 69 -7.602 10.499 -30.383 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.630 11.826 -32.595 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.037 12.409 -30.852 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.748 13.170 -32.404 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.848 11.029 -33.533 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.966 10.184 -32.002 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.841 13.773 -29.943 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.394 15.045 -29.367 1.00 0.00 C ATOM 1077 C ASP A 70 -4.889 15.074 -29.218 1.00 0.00 C ATOM 1078 O ASP A 70 -4.252 16.096 -29.477 1.00 0.00 O ATOM 1079 CB ASP A 70 -7.075 15.308 -28.025 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.718 16.659 -27.441 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -7.187 17.690 -27.975 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -6.014 16.710 -26.408 1.00 0.00 O ATOM 0 H ASP A 70 -7.455 13.233 -29.334 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.681 15.841 -30.054 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.156 15.247 -28.153 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.793 14.526 -27.320 1.00 0.00 H new ATOM 1087 N LEU A 71 -4.344 13.919 -28.878 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.924 13.699 -28.708 1.00 0.00 C ATOM 1089 C LEU A 71 -2.195 14.102 -30.002 1.00 0.00 C ATOM 1090 O LEU A 71 -1.232 14.851 -29.982 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.721 12.208 -28.448 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.469 11.787 -27.710 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -1.560 12.209 -26.250 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -1.272 10.283 -27.824 1.00 0.00 C ATOM 0 H LEU A 71 -4.900 13.081 -28.707 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.531 14.290 -27.881 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.581 11.846 -27.884 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.732 11.695 -29.410 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.607 12.280 -28.161 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.655 11.902 -25.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.665 13.292 -26.190 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.426 11.735 -25.787 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.368 9.993 -27.289 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.131 9.770 -27.391 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.176 10.007 -28.874 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.715 13.634 -31.118 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.163 13.926 -32.434 1.00 0.00 C ATOM 1108 C ILE A 72 -2.430 15.379 -32.826 1.00 0.00 C ATOM 1109 O ILE A 72 -1.519 16.090 -33.263 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.813 12.994 -33.479 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.474 11.545 -33.164 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.373 13.352 -34.899 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.463 10.570 -33.723 1.00 0.00 C ATOM 0 H ILE A 72 -3.540 13.035 -31.142 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.086 13.764 -32.401 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.894 13.127 -33.427 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.485 11.316 -33.561 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.421 11.418 -32.083 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.850 12.676 -35.609 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.665 14.378 -35.123 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.290 13.258 -34.979 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.161 9.556 -33.462 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.450 10.774 -33.307 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.499 10.670 -34.808 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.669 15.819 -32.631 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.100 17.156 -33.046 1.00 0.00 C ATOM 1127 C ARG A 73 -3.270 18.251 -32.365 1.00 0.00 C ATOM 1128 O ARG A 73 -2.921 19.248 -32.993 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.595 17.383 -32.766 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.531 16.307 -33.315 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.998 16.629 -33.041 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.228 16.977 -31.615 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.325 16.687 -30.889 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -10.326 16.002 -31.424 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -9.403 17.077 -29.613 1.00 0.00 N ATOM 0 H ARG A 73 -4.400 15.266 -32.184 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.938 17.216 -34.122 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.740 17.452 -31.688 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.885 18.345 -33.189 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.377 16.206 -34.389 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.281 15.346 -32.866 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.312 17.459 -33.673 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.615 15.772 -33.310 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.482 17.485 -31.139 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.270 15.690 -32.393 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.153 15.787 -30.866 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.632 17.594 -29.190 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.233 16.858 -29.063 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.896 18.045 -31.103 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.135 19.057 -30.398 1.00 0.00 C ATOM 1151 C LEU A 74 -0.642 18.987 -30.779 1.00 0.00 C ATOM 1152 O LEU A 74 0.111 19.916 -30.547 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.394 19.001 -28.863 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.767 17.857 -28.057 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -0.400 18.259 -27.545 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.661 17.450 -26.905 1.00 0.00 C ATOM 0 H LEU A 74 -3.105 17.205 -30.564 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.484 20.040 -30.716 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.045 19.940 -28.433 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.472 18.962 -28.710 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.655 16.999 -28.720 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.031 17.436 -26.975 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.249 18.496 -28.388 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.495 19.135 -26.903 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.192 16.637 -26.350 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.811 18.302 -26.242 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.624 17.117 -27.292 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.231 17.894 -31.422 1.00 0.00 N ATOM 1169 CA LYS A 75 1.138 17.765 -31.902 1.00 0.00 C ATOM 1170 C LYS A 75 1.260 18.357 -33.299 1.00 0.00 C ATOM 1171 O LYS A 75 2.345 18.497 -33.846 1.00 0.00 O ATOM 1172 CB LYS A 75 1.672 16.310 -31.853 1.00 0.00 C ATOM 1173 CG LYS A 75 2.397 15.934 -30.544 1.00 0.00 C ATOM 1174 CD LYS A 75 1.485 15.994 -29.347 1.00 0.00 C ATOM 1175 CE LYS A 75 2.220 15.801 -28.025 1.00 0.00 C ATOM 1176 NZ LYS A 75 2.882 14.489 -27.903 1.00 0.00 N ATOM 0 H LYS A 75 -0.827 17.090 -31.620 1.00 0.00 H new ATOM 0 HA LYS A 75 1.771 18.331 -31.218 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.836 15.625 -31.999 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.357 16.160 -32.688 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.808 14.928 -30.635 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.239 16.609 -30.391 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.974 16.957 -29.335 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.717 15.227 -29.444 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.967 16.587 -27.916 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.512 15.919 -27.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.748 14.121 -26.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.467 13.826 -28.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.899 14.594 -28.095 1.00 0.00 H new ATOM 1190 N CYS A 76 0.128 18.761 -33.842 1.00 0.00 N ATOM 1191 CA CYS A 76 0.062 19.392 -35.145 1.00 0.00 C ATOM 1192 C CYS A 76 0.402 20.886 -34.997 1.00 0.00 C ATOM 1193 O CYS A 76 0.476 21.640 -35.965 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.333 19.187 -35.735 1.00 0.00 C ATOM 1195 SG CYS A 76 -1.568 19.724 -37.445 1.00 0.00 S ATOM 0 H CYS A 76 -0.779 18.659 -33.387 1.00 0.00 H new ATOM 0 HA CYS A 76 0.785 18.943 -35.826 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.578 18.127 -35.673 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.050 19.717 -35.109 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.836 19.889 -37.677 1.00 0.00 H new ATOM 1201 N LEU A 77 0.614 21.296 -33.762 1.00 0.00 N ATOM 1202 CA LEU A 77 1.026 22.644 -33.460 1.00 0.00 C ATOM 1203 C LEU A 77 2.531 22.765 -33.678 1.00 0.00 C ATOM 1204 O LEU A 77 3.080 23.859 -33.763 1.00 0.00 O ATOM 1205 CB LEU A 77 0.667 22.983 -32.010 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.810 22.796 -31.624 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.046 23.170 -30.179 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.722 23.583 -32.545 1.00 0.00 C ATOM 0 H LEU A 77 0.504 20.700 -32.942 1.00 0.00 H new ATOM 0 HA LEU A 77 0.511 23.345 -34.117 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.276 22.365 -31.351 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.944 24.020 -31.820 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.051 21.739 -31.740 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.099 23.028 -29.934 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.435 22.538 -29.535 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.775 24.214 -30.025 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.759 23.431 -32.247 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.478 24.643 -32.480 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.585 23.242 -33.571 1.00 0.00 H new ATOM 1220 N ASP A 78 3.182 21.616 -33.762 1.00 0.00 N ATOM 1221 CA ASP A 78 4.626 21.533 -33.992 1.00 0.00 C ATOM 1222 C ASP A 78 4.902 21.818 -35.437 1.00 0.00 C ATOM 1223 O ASP A 78 5.803 22.582 -35.796 1.00 0.00 O ATOM 1224 CB ASP A 78 5.100 20.121 -33.706 1.00 0.00 C ATOM 1225 CG ASP A 78 6.610 19.983 -33.710 1.00 0.00 C ATOM 1226 OD1 ASP A 78 7.208 19.730 -34.780 1.00 0.00 O ATOM 1227 OD2 ASP A 78 7.227 20.099 -32.622 1.00 0.00 O ATOM 0 H ASP A 78 2.727 20.707 -33.673 1.00 0.00 H new ATOM 0 HA ASP A 78 5.137 22.247 -33.346 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.716 19.806 -32.736 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.678 19.446 -34.451 1.00 0.00 H new ATOM 1232 N LEU A 79 4.105 21.204 -36.262 1.00 0.00 N ATOM 1233 CA LEU A 79 4.227 21.323 -37.696 1.00 0.00 C ATOM 1234 C LEU A 79 3.514 22.615 -38.166 1.00 0.00 C ATOM 1235 O LEU A 79 2.878 23.268 -37.350 1.00 0.00 O ATOM 1236 CB LEU A 79 3.642 20.042 -38.321 1.00 0.00 C ATOM 1237 CG LEU A 79 2.151 19.813 -38.138 1.00 0.00 C ATOM 1238 CD1 LEU A 79 1.342 20.478 -39.231 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.855 18.358 -38.060 1.00 0.00 C ATOM 0 H LEU A 79 3.342 20.598 -35.960 1.00 0.00 H new ATOM 0 HA LEU A 79 5.265 21.412 -38.015 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.855 20.057 -39.390 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.172 19.186 -37.902 1.00 0.00 H new ATOM 0 HG LEU A 79 1.856 20.276 -37.196 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.281 20.291 -39.064 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.527 21.552 -39.218 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.634 20.071 -40.199 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.783 18.211 -37.929 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.178 17.871 -38.980 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.387 17.923 -37.214 1.00 0.00 H new ATOM 1251 N PRO A 80 3.628 23.014 -39.470 1.00 0.00 N ATOM 1252 CA PRO A 80 2.963 24.225 -39.975 1.00 0.00 C ATOM 1253 C PRO A 80 1.419 24.174 -39.836 1.00 0.00 C ATOM 1254 O PRO A 80 0.850 24.816 -38.939 1.00 0.00 O ATOM 1255 CB PRO A 80 3.385 24.324 -41.455 1.00 0.00 C ATOM 1256 CG PRO A 80 4.453 23.288 -41.664 1.00 0.00 C ATOM 1257 CD PRO A 80 4.424 22.339 -40.509 1.00 0.00 C ATOM 0 HA PRO A 80 3.260 25.098 -39.394 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.535 24.144 -42.114 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.761 25.321 -41.685 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.284 22.753 -42.599 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.431 23.762 -41.740 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.974 21.388 -40.793 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.431 22.122 -40.153 1.00 0.00 H new ATOM 1265 N ASP A 81 0.759 23.402 -40.697 1.00 0.00 N ATOM 1266 CA ASP A 81 -0.704 23.226 -40.677 1.00 0.00 C ATOM 1267 C ASP A 81 -1.095 22.233 -41.747 1.00 0.00 C ATOM 1268 O ASP A 81 -0.536 22.257 -42.847 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.460 24.553 -40.910 1.00 0.00 C ATOM 1270 CG ASP A 81 -2.972 24.377 -40.918 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -3.594 24.376 -39.833 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -3.564 24.234 -42.007 1.00 0.00 O ATOM 0 H ASP A 81 1.222 22.874 -41.437 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.981 22.862 -39.688 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.186 25.264 -40.131 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.144 24.984 -41.860 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.018 21.360 -41.431 1.00 0.00 N ATOM 1278 CA ILE A 82 -2.487 20.364 -42.342 1.00 0.00 C ATOM 1279 C ILE A 82 -3.924 19.998 -42.046 1.00 0.00 C ATOM 1280 O ILE A 82 -4.292 19.700 -40.906 1.00 0.00 O ATOM 1281 CB ILE A 82 -1.609 19.066 -42.358 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -2.318 17.948 -43.145 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.238 18.618 -40.953 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.537 16.675 -43.259 1.00 0.00 C ATOM 0 H ILE A 82 -2.468 21.327 -40.516 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.413 20.813 -43.332 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.674 19.298 -42.868 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.272 17.732 -42.664 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.542 18.313 -44.147 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.630 17.715 -41.008 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.673 19.407 -40.457 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.145 18.410 -40.386 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.112 15.945 -43.828 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.594 16.871 -43.769 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.336 16.281 -42.263 1.00 0.00 H new ATOM 1296 N ASP A 83 -4.726 20.112 -43.048 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.088 19.627 -43.032 1.00 0.00 C ATOM 1298 C ASP A 83 -6.081 18.113 -43.116 1.00 0.00 C ATOM 1299 O ASP A 83 -5.861 17.536 -44.188 1.00 0.00 O ATOM 1300 CB ASP A 83 -6.888 20.212 -44.204 1.00 0.00 C ATOM 1301 CG ASP A 83 -8.274 19.607 -44.352 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.171 19.933 -43.557 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -8.506 18.847 -45.307 1.00 0.00 O ATOM 0 H ASP A 83 -4.459 20.553 -43.928 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.564 19.942 -42.103 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.983 21.289 -44.067 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.331 20.056 -45.128 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.212 17.481 -41.987 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.297 16.048 -41.937 1.00 0.00 C ATOM 1310 C PHE A 84 -7.494 15.637 -41.107 1.00 0.00 C ATOM 1311 O PHE A 84 -7.953 16.387 -40.223 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.000 15.399 -41.375 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.715 15.674 -39.911 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.197 14.832 -38.914 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -3.964 16.759 -39.545 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.926 15.085 -37.582 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -3.688 17.022 -38.216 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.170 16.182 -37.233 1.00 0.00 C ATOM 0 H PHE A 84 -6.263 17.940 -41.078 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.416 15.687 -42.959 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.062 14.320 -41.519 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.153 15.751 -41.965 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.790 13.971 -39.184 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.581 17.421 -40.308 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.306 14.424 -36.817 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.096 17.884 -37.947 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.955 16.384 -36.194 1.00 0.00 H new ATOM 1328 N ASP A 85 -7.996 14.489 -41.387 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.089 13.920 -40.644 1.00 0.00 C ATOM 1330 C ASP A 85 -8.679 12.514 -40.296 1.00 0.00 C ATOM 1331 O ASP A 85 -8.200 11.789 -41.168 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.357 13.922 -41.507 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.585 13.458 -40.762 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.208 14.287 -40.048 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.969 12.283 -40.892 1.00 0.00 O ATOM 0 H ASP A 85 -7.662 13.899 -42.149 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.307 14.492 -39.742 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.529 14.929 -41.886 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.200 13.278 -42.373 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.772 12.130 -39.050 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.333 10.807 -38.686 1.00 0.00 C ATOM 1342 C LEU A 86 -9.477 10.006 -38.105 1.00 0.00 C ATOM 1343 O LEU A 86 -10.453 10.567 -37.610 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.185 10.841 -37.662 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.581 11.134 -36.201 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.476 10.784 -35.266 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.990 12.575 -35.987 1.00 0.00 C ATOM 0 H LEU A 86 -9.138 12.698 -38.286 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.972 10.336 -39.600 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.672 9.880 -37.691 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.466 11.596 -37.979 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.447 10.507 -35.989 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.783 11.001 -34.243 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.244 9.723 -35.358 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.591 11.372 -35.512 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.259 12.726 -34.941 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.159 13.231 -36.246 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.847 12.808 -36.619 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.347 8.715 -38.168 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.284 7.818 -37.580 1.00 0.00 C ATOM 1361 C ASN A 87 -9.534 6.786 -36.751 1.00 0.00 C ATOM 1362 O ASN A 87 -8.731 6.015 -37.294 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.120 7.132 -38.668 1.00 0.00 C ATOM 1364 CG ASN A 87 -12.056 6.083 -38.108 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.599 4.873 -38.066 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -13.189 6.370 -37.723 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.570 8.251 -38.639 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.963 8.373 -36.933 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.701 7.884 -39.203 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.453 6.668 -39.395 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.515 7.335 -37.771 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.802 5.643 -37.355 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.744 6.818 -35.458 1.00 0.00 N ATOM 1374 CA ILE A 88 -9.163 5.861 -34.541 1.00 0.00 C ATOM 1375 C ILE A 88 -10.042 4.618 -34.471 1.00 0.00 C ATOM 1376 O ILE A 88 -11.280 4.714 -34.449 1.00 0.00 O ATOM 1377 CB ILE A 88 -9.031 6.437 -33.105 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -8.130 7.673 -33.081 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.475 5.367 -32.164 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.714 7.393 -33.487 1.00 0.00 C ATOM 0 H ILE A 88 -10.331 7.518 -35.004 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.168 5.620 -34.916 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.023 6.737 -32.769 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.547 8.429 -33.746 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.134 8.096 -32.076 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.385 5.778 -31.158 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.150 4.511 -32.147 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.493 5.048 -32.515 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.135 8.315 -33.446 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.279 6.661 -32.807 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.698 6.999 -34.503 1.00 0.00 H new ATOM 1392 N MET A 89 -9.412 3.483 -34.465 1.00 0.00 N ATOM 1393 CA MET A 89 -10.061 2.221 -34.326 1.00 0.00 C ATOM 1394 C MET A 89 -9.062 1.294 -33.667 1.00 0.00 C ATOM 1395 O MET A 89 -7.895 1.612 -33.604 1.00 0.00 O ATOM 1396 CB MET A 89 -10.466 1.661 -35.709 1.00 0.00 C ATOM 1397 CG MET A 89 -9.291 1.149 -36.546 1.00 0.00 C ATOM 1398 SD MET A 89 -9.751 0.691 -38.223 1.00 0.00 S ATOM 1399 CE MET A 89 -9.963 2.276 -38.985 1.00 0.00 C ATOM 0 H MET A 89 -8.399 3.411 -34.560 1.00 0.00 H new ATOM 0 HA MET A 89 -10.970 2.316 -33.733 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.177 0.848 -35.565 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.983 2.441 -36.268 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.521 1.919 -36.586 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.851 0.284 -36.049 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.604 2.236 -40.014 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.020 2.544 -38.979 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.396 3.025 -38.432 1.00 0.00 H new ATOM 1409 N THR A 90 -9.504 0.228 -33.130 1.00 0.00 N ATOM 1410 CA THR A 90 -8.630 -0.785 -32.627 1.00 0.00 C ATOM 1411 C THR A 90 -8.004 -1.579 -33.778 1.00 0.00 C ATOM 1412 O THR A 90 -8.585 -1.686 -34.851 1.00 0.00 O ATOM 1413 CB THR A 90 -9.438 -1.699 -31.744 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.807 -1.608 -32.171 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.329 -1.289 -30.302 1.00 0.00 C ATOM 0 H THR A 90 -10.496 0.018 -33.019 1.00 0.00 H new ATOM 0 HA THR A 90 -7.819 -0.328 -32.060 1.00 0.00 H new ATOM 0 HB THR A 90 -9.066 -2.720 -31.826 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.223 -2.494 -32.128 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.922 -1.965 -29.686 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.286 -1.333 -29.989 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.700 -0.271 -30.184 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.821 -2.102 -33.544 1.00 0.00 N ATOM 1424 CA VAL A 91 -6.070 -2.908 -34.517 1.00 0.00 C ATOM 1425 C VAL A 91 -6.908 -4.072 -35.091 1.00 0.00 C ATOM 1426 O VAL A 91 -6.959 -4.270 -36.313 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.779 -3.451 -33.854 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -4.107 -4.534 -34.689 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.798 -2.331 -33.621 1.00 0.00 C ATOM 0 H VAL A 91 -6.332 -1.984 -32.657 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.813 -2.260 -35.355 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.078 -3.894 -32.904 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.208 -4.880 -34.180 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.794 -5.370 -34.821 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.838 -4.127 -35.664 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.896 -2.728 -33.155 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.540 -1.869 -34.574 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.247 -1.585 -32.965 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.612 -4.795 -34.232 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.411 -5.945 -34.696 1.00 0.00 C ATOM 1441 C ASP A 92 -9.673 -5.476 -35.414 1.00 0.00 C ATOM 1442 O ASP A 92 -10.307 -6.216 -36.156 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.730 -6.914 -33.546 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.565 -8.118 -33.974 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -9.094 -8.940 -34.808 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.718 -8.260 -33.489 1.00 0.00 O ATOM 0 H ASP A 92 -7.654 -4.620 -33.228 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.811 -6.501 -35.417 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.795 -7.267 -33.110 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.262 -6.373 -32.764 1.00 0.00 H new ATOM 1451 N ASP A 93 -10.008 -4.225 -35.222 1.00 0.00 N ATOM 1452 CA ASP A 93 -11.137 -3.626 -35.910 1.00 0.00 C ATOM 1453 C ASP A 93 -10.677 -2.966 -37.196 1.00 0.00 C ATOM 1454 O ASP A 93 -11.474 -2.550 -38.026 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.915 -2.661 -35.018 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.724 -3.385 -33.957 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -12.154 -3.798 -32.910 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -13.941 -3.564 -34.144 1.00 0.00 O ATOM 0 H ASP A 93 -9.515 -3.593 -34.591 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.834 -4.424 -36.166 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.220 -1.974 -34.536 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.583 -2.059 -35.634 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.384 -2.925 -37.363 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.770 -2.413 -38.549 1.00 0.00 C ATOM 1465 C TYR A 94 -8.537 -3.523 -39.544 1.00 0.00 C ATOM 1466 O TYR A 94 -8.985 -3.458 -40.695 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.453 -1.726 -38.197 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.573 -1.407 -39.377 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.909 -0.412 -40.283 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.394 -2.104 -39.571 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.085 -0.133 -41.350 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.570 -1.830 -40.632 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.919 -0.849 -41.520 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.098 -0.576 -42.580 1.00 0.00 O ATOM 0 H TYR A 94 -8.718 -3.253 -36.663 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.438 -1.682 -39.004 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.673 -0.801 -37.665 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.898 -2.365 -37.510 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.823 0.148 -40.151 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.117 -2.880 -38.873 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.351 0.644 -42.051 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.653 -2.384 -40.766 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.319 -1.170 -42.552 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.853 -4.547 -39.093 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.504 -5.682 -39.938 1.00 0.00 C ATOM 1486 C PHE A 95 -8.703 -6.493 -40.394 1.00 0.00 C ATOM 1487 O PHE A 95 -8.615 -7.282 -41.319 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.476 -6.558 -39.274 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.099 -5.966 -39.294 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.485 -5.686 -40.502 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.416 -5.690 -38.121 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.224 -5.137 -40.543 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -3.144 -5.143 -38.158 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.549 -4.867 -39.373 1.00 0.00 C ATOM 0 H PHE A 95 -7.519 -4.624 -38.132 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.069 -5.258 -40.843 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.773 -6.738 -38.241 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.456 -7.527 -39.773 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.003 -5.901 -41.425 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.879 -5.903 -37.169 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.763 -4.917 -41.494 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.619 -4.933 -37.238 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.557 -4.441 -39.406 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.799 -6.297 -39.731 1.00 0.00 N ATOM 1505 CA ARG A 96 -11.065 -6.915 -40.105 1.00 0.00 C ATOM 1506 C ARG A 96 -11.682 -6.255 -41.340 1.00 0.00 C ATOM 1507 O ARG A 96 -12.726 -6.676 -41.808 1.00 0.00 O ATOM 1508 CB ARG A 96 -12.037 -6.921 -38.911 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.442 -5.541 -38.398 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.627 -4.939 -39.131 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.875 -5.560 -38.701 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.642 -6.371 -39.431 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.251 -6.791 -40.625 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.795 -6.776 -38.949 1.00 0.00 N ATOM 0 H ARG A 96 -9.857 -5.701 -38.905 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.863 -7.951 -40.379 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.938 -7.463 -39.199 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.579 -7.476 -38.092 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.682 -5.614 -37.337 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.591 -4.866 -38.487 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.667 -3.866 -38.946 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.501 -5.072 -40.205 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.191 -5.355 -37.753 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.350 -6.494 -41.000 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.851 -7.411 -41.169 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.097 -6.470 -38.024 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.388 -7.396 -39.500 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.080 -5.185 -41.810 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.560 -4.538 -43.020 1.00 0.00 C ATOM 1530 C GLN A 97 -10.721 -5.014 -44.199 1.00 0.00 C ATOM 1531 O GLN A 97 -11.243 -5.500 -45.199 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.427 -3.028 -42.902 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.030 -2.443 -41.646 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.726 -0.979 -41.527 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.572 -0.680 -41.023 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.490 -0.134 -41.954 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.266 -4.745 -41.381 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.609 -4.793 -43.167 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.370 -2.765 -42.939 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.901 -2.565 -43.767 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.110 -2.593 -41.654 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.642 -2.969 -40.774 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.391 -0.411 -42.344 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.230 0.852 -41.922 1.00 0.00 H new ATOM 1545 N PHE A 98 -9.413 -4.905 -44.033 1.00 0.00 N ATOM 1546 CA PHE A 98 -8.451 -5.229 -45.075 1.00 0.00 C ATOM 1547 C PHE A 98 -8.247 -6.717 -45.200 1.00 0.00 C ATOM 1548 O PHE A 98 -8.511 -7.473 -44.263 1.00 0.00 O ATOM 1549 CB PHE A 98 -7.116 -4.526 -44.816 1.00 0.00 C ATOM 1550 CG PHE A 98 -7.182 -3.032 -44.949 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -7.686 -2.247 -43.929 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -6.742 -2.416 -46.103 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -7.747 -0.879 -44.061 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -6.799 -1.045 -46.238 1.00 0.00 C ATOM 1555 CZ PHE A 98 -7.301 -0.277 -45.217 1.00 0.00 C ATOM 0 H PHE A 98 -8.985 -4.586 -43.164 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.859 -4.869 -46.020 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.772 -4.777 -43.813 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.372 -4.911 -45.513 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.035 -2.712 -43.019 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.348 -3.015 -46.910 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.145 -0.277 -43.258 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.449 -0.576 -47.146 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.346 0.797 -45.320 1.00 0.00 H new ATOM 1565 N TYR A 99 -7.787 -7.127 -46.344 1.00 0.00 N ATOM 1566 CA TYR A 99 -7.584 -8.515 -46.630 1.00 0.00 C ATOM 1567 C TYR A 99 -6.121 -8.906 -46.566 1.00 0.00 C ATOM 1568 O TYR A 99 -5.237 -8.040 -46.502 1.00 0.00 O ATOM 1569 CB TYR A 99 -8.200 -8.868 -47.975 1.00 0.00 C ATOM 1570 CG TYR A 99 -9.708 -8.900 -47.931 1.00 0.00 C ATOM 1571 CD1 TYR A 99 -10.463 -7.740 -47.988 1.00 0.00 C ATOM 1572 CD2 TYR A 99 -10.367 -10.098 -47.819 1.00 0.00 C ATOM 1573 CE1 TYR A 99 -11.839 -7.783 -47.932 1.00 0.00 C ATOM 1574 CE2 TYR A 99 -11.737 -10.159 -47.761 1.00 0.00 C ATOM 1575 CZ TYR A 99 -12.471 -8.998 -47.821 1.00 0.00 C ATOM 1576 OH TYR A 99 -13.849 -9.056 -47.750 1.00 0.00 O ATOM 0 H TYR A 99 -7.540 -6.502 -47.111 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.088 -9.093 -45.856 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -7.877 -8.141 -48.720 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.829 -9.841 -48.297 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -9.965 -6.786 -48.078 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.795 -11.013 -47.776 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -12.415 -6.871 -47.975 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -12.235 -11.113 -47.669 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.134 -9.991 -47.676 1.00 0.00 H new ATOM 1586 N LYS A 100 -5.892 -10.206 -46.603 1.00 0.00 N ATOM 1587 CA LYS A 100 -4.586 -10.823 -46.499 1.00 0.00 C ATOM 1588 C LYS A 100 -3.653 -10.311 -47.584 1.00 0.00 C ATOM 1589 O LYS A 100 -2.676 -9.612 -47.257 1.00 0.00 O ATOM 1590 CB LYS A 100 -4.742 -12.350 -46.573 1.00 0.00 C ATOM 1591 CG LYS A 100 -3.449 -13.148 -46.468 1.00 0.00 C ATOM 1592 CD LYS A 100 -3.702 -14.653 -46.590 1.00 0.00 C ATOM 1593 CE LYS A 100 -4.299 -15.024 -47.947 1.00 0.00 C ATOM 1594 NZ LYS A 100 -4.576 -16.466 -48.068 1.00 0.00 N ATOM 0 H LYS A 100 -6.643 -10.887 -46.711 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.139 -10.558 -45.541 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.411 -12.668 -45.773 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.229 -12.603 -47.515 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.760 -12.830 -47.251 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.967 -12.936 -45.514 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.765 -15.191 -46.447 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.378 -14.973 -45.797 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.223 -14.466 -48.098 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.612 -14.722 -48.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.979 -16.665 -49.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.691 -17.000 -47.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.253 -16.752 -47.332 1.00 0.00 H new TER 1608 LYS A 100