USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 822 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: F 23 ASN : amide:sc= 1.09 K(o=-0.042,f=-2.1) USER MOD Set 1.2: F 55 GLN : amide:sc= -1.14 K(o=-0.042,f=-4.7!) USER MOD Set 2.1: E 23 ASN : amide:sc= -0.329 K(o=0.32,f=-11!) USER MOD Set 2.2: E 55 GLN : amide:sc= 0.648 K(o=0.32,f=-2.5) USER MOD Set 3.1: E 39 SER OG : rot -96:sc= 0.253 USER MOD Set 3.2: E 40 GLN :FLIP amide:sc= -0.684 F(o=-1,f=-0.43) USER MOD Single : C 16 LYS NZ :NH3+ -168:sc= -0.352 (180deg=-0.541) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 27 ASN : amide:sc= -0.0745 X(o=-0.075,f=-0.083) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -171:sc= -0.443 (180deg=-0.643) USER MOD Single : E 18 TYR OH : rot 170:sc= 0.0126 USER MOD Single : E 21 ASN : amide:sc= -1.91! X(o=-1.9!,f=-1.9) USER MOD Single : E 26 GLN :FLIP amide:sc= -0.775 F(o=-2.4,f=-0.77) USER MOD Single : E 32 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.51) USER MOD Single : E 33 SER OG : rot 170:sc= 0 USER MOD Single : E 35 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.1) USER MOD Single : E 41 SER OG : rot 116:sc= -0.567 USER MOD Single : E 43 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -112:sc= 0.66 (180deg=-0.794) USER MOD Single : E 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0639) USER MOD Single : E 52 ASN : amide:sc= -0.0789 K(o=-0.079,f=-1.3) USER MOD Single : F 18 TYR OH : rot -77:sc= 0.225 USER MOD Single : F 21 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.63) USER MOD Single : F 26 GLN :FLIP amide:sc= -0.216 F(o=-1.4,f=-0.22) USER MOD Single : F 32 HIS : no HE2:sc= 0.339 K(o=0.34,f=-3.7!) USER MOD Single : F 33 SER OG : rot 72:sc= 1.24 USER MOD Single : F 35 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-1.2) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.22) USER MOD Single : F 41 SER OG : rot -74:sc= 0.822 USER MOD Single : F 43 ASN : amide:sc=-0.00381 X(o=-0.0038,f=0) USER MOD Single : F 49 LYS NZ :NH3+ 172:sc= 1.12 (180deg=1.07) USER MOD Single : F 50 LYS NZ :NH3+ 156:sc= 0.587 (180deg=0.0748) USER MOD Single : F 52 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS C 16 126.277 -9.604 -3.487 1.00 0.00 N ATOM 2 CA LYS C 16 125.091 -9.398 -2.672 1.00 0.00 C ATOM 3 C LYS C 16 124.680 -7.928 -2.647 1.00 0.00 C ATOM 4 O LYS C 16 125.504 -7.030 -2.458 1.00 0.00 O ATOM 5 CB LYS C 16 125.347 -9.943 -1.256 1.00 0.00 C ATOM 6 CG LYS C 16 126.202 -8.969 -0.432 1.00 0.00 C ATOM 7 CD LYS C 16 125.281 -8.023 0.355 1.00 0.00 C ATOM 8 CE LYS C 16 125.105 -8.535 1.787 1.00 0.00 C ATOM 9 NZ LYS C 16 124.376 -9.837 1.771 1.00 0.00 N ATOM 0 HA LYS C 16 124.257 -9.944 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS C 16 124.396 -10.113 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS C 16 125.850 -10.908 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS C 16 126.845 -9.522 0.253 1.00 0.00 H new ATOM 0 HG3 LYS C 16 126.855 -8.395 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS C 16 125.704 -7.018 0.369 1.00 0.00 H new ATOM 0 HD3 LYS C 16 124.311 -7.954 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS C 16 126.079 -8.658 2.261 1.00 0.00 H new ATOM 0 HE3 LYS C 16 124.552 -7.805 2.379 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 124.080 -10.081 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 123.537 -9.758 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 125.002 -10.581 1.403 1.00 0.00 H new ATOM 23 N LEU C 17 123.380 -7.715 -2.842 1.00 0.00 N ATOM 24 CA LEU C 17 122.797 -6.377 -2.839 1.00 0.00 C ATOM 25 C LEU C 17 121.852 -6.237 -1.659 1.00 0.00 C ATOM 26 O LEU C 17 121.265 -7.226 -1.205 1.00 0.00 O ATOM 27 CB LEU C 17 122.046 -6.097 -4.151 1.00 0.00 C ATOM 28 CG LEU C 17 122.919 -5.232 -5.085 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.694 -6.130 -6.064 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.022 -4.250 -5.853 1.00 0.00 C ATOM 0 H LEU C 17 122.705 -8.462 -3.006 1.00 0.00 H new ATOM 0 HA LEU C 17 123.603 -5.649 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.793 -7.036 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.107 -5.585 -3.940 1.00 0.00 H new ATOM 0 HG LEU C 17 123.639 -4.669 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.307 -5.510 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.335 -6.811 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU C 17 122.990 -6.706 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.635 -3.637 -6.514 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.296 -4.807 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.497 -3.608 -5.146 1.00 0.00 H new ATOM 42 N VAL C 18 121.723 -5.011 -1.154 1.00 0.00 N ATOM 43 CA VAL C 18 120.856 -4.758 -0.001 1.00 0.00 C ATOM 44 C VAL C 18 120.091 -3.454 -0.176 1.00 0.00 C ATOM 45 O VAL C 18 120.701 -2.416 -0.393 1.00 0.00 O ATOM 46 CB VAL C 18 121.713 -4.682 1.275 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.794 -4.613 2.506 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.625 -5.924 1.371 1.00 0.00 C ATOM 0 H VAL C 18 122.200 -4.186 -1.518 1.00 0.00 H new ATOM 0 HA VAL C 18 120.137 -5.574 0.080 1.00 0.00 H new ATOM 0 HB VAL C 18 122.336 -3.788 1.238 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.400 -4.559 3.410 1.00 0.00 H new ATOM 0 HG12 VAL C 18 120.162 -3.727 2.439 1.00 0.00 H new ATOM 0 HG13 VAL C 18 120.167 -5.504 2.542 1.00 0.00 H new ATOM 0 HG21 VAL C 18 123.229 -5.863 2.277 1.00 0.00 H new ATOM 0 HG22 VAL C 18 122.011 -6.824 1.404 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.280 -5.963 0.501 1.00 0.00 H new ATOM 58 N PHE C 19 118.761 -3.508 -0.039 1.00 0.00 N ATOM 59 CA PHE C 19 117.933 -2.311 -0.151 1.00 0.00 C ATOM 60 C PHE C 19 117.713 -1.737 1.231 1.00 0.00 C ATOM 61 O PHE C 19 117.224 -2.429 2.123 1.00 0.00 O ATOM 62 CB PHE C 19 116.567 -2.629 -0.787 1.00 0.00 C ATOM 63 CG PHE C 19 116.543 -2.112 -2.210 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.381 -2.705 -3.164 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.705 -1.037 -2.579 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.387 -2.238 -4.477 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.720 -0.575 -3.900 1.00 0.00 C ATOM 68 CZ PHE C 19 116.560 -1.177 -4.846 1.00 0.00 C ATOM 0 H PHE C 19 118.241 -4.365 0.149 1.00 0.00 H new ATOM 0 HA PHE C 19 118.448 -1.594 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.390 -3.704 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.767 -2.168 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.024 -3.526 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.058 -0.575 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.033 -2.698 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.083 0.247 -4.191 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.567 -0.818 -5.865 1.00 0.00 H new ATOM 78 N PHE C 20 118.084 -0.477 1.390 1.00 0.00 N ATOM 79 CA PHE C 20 117.940 0.207 2.670 1.00 0.00 C ATOM 80 C PHE C 20 117.371 1.613 2.489 1.00 0.00 C ATOM 81 O PHE C 20 117.505 2.219 1.419 1.00 0.00 O ATOM 82 CB PHE C 20 119.295 0.268 3.379 1.00 0.00 C ATOM 83 CG PHE C 20 120.304 0.984 2.524 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.323 2.378 2.496 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.225 0.255 1.766 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.259 3.045 1.709 1.00 0.00 C ATOM 87 CE2 PHE C 20 122.160 0.924 0.986 1.00 0.00 C ATOM 88 CZ PHE C 20 122.178 2.320 0.958 1.00 0.00 C ATOM 0 H PHE C 20 118.488 0.096 0.649 1.00 0.00 H new ATOM 0 HA PHE C 20 117.237 -0.358 3.282 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.189 0.781 4.335 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.644 -0.741 3.596 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.613 2.940 3.084 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.210 -0.825 1.787 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.271 4.125 1.682 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.874 0.364 0.401 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.907 2.838 0.352 1.00 0.00 H new ATOM 98 N ALA C 21 116.733 2.124 3.547 1.00 0.00 N ATOM 99 CA ALA C 21 116.143 3.456 3.516 1.00 0.00 C ATOM 100 C ALA C 21 116.727 4.322 4.629 1.00 0.00 C ATOM 101 O ALA C 21 116.889 3.856 5.757 1.00 0.00 O ATOM 102 CB ALA C 21 114.629 3.341 3.687 1.00 0.00 C ATOM 0 H ALA C 21 116.615 1.632 4.432 1.00 0.00 H new ATOM 0 HA ALA C 21 116.369 3.925 2.558 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.184 4.336 3.664 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.216 2.740 2.877 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.406 2.865 4.642 1.00 0.00 H new ATOM 108 N GLU C 22 117.030 5.581 4.300 1.00 0.00 N ATOM 109 CA GLU C 22 117.592 6.524 5.292 1.00 0.00 C ATOM 110 C GLU C 22 116.501 7.455 5.788 1.00 0.00 C ATOM 111 O GLU C 22 115.682 7.908 5.003 1.00 0.00 O ATOM 112 CB GLU C 22 118.737 7.403 4.722 1.00 0.00 C ATOM 113 CG GLU C 22 119.013 7.120 3.243 1.00 0.00 C ATOM 114 CD GLU C 22 119.512 5.692 3.031 1.00 0.00 C ATOM 115 OE1 GLU C 22 120.452 5.299 3.709 1.00 0.00 O ATOM 116 OE2 GLU C 22 118.960 5.020 2.177 1.00 0.00 O ATOM 0 H GLU C 22 116.900 5.975 3.368 1.00 0.00 H new ATOM 0 HA GLU C 22 118.000 5.911 6.096 1.00 0.00 H new ATOM 0 HB2 GLU C 22 118.479 8.455 4.845 1.00 0.00 H new ATOM 0 HB3 GLU C 22 119.646 7.228 5.298 1.00 0.00 H new ATOM 0 HG2 GLU C 22 118.103 7.278 2.665 1.00 0.00 H new ATOM 0 HG3 GLU C 22 119.755 7.825 2.869 1.00 0.00 H new ATOM 123 N ASP C 23 116.516 7.765 7.081 1.00 0.00 N ATOM 124 CA ASP C 23 115.527 8.676 7.650 1.00 0.00 C ATOM 125 C ASP C 23 115.929 10.109 7.314 1.00 0.00 C ATOM 126 O ASP C 23 116.942 10.618 7.799 1.00 0.00 O ATOM 127 CB ASP C 23 115.432 8.486 9.169 1.00 0.00 C ATOM 128 CG ASP C 23 114.307 9.352 9.737 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.170 8.907 9.706 1.00 0.00 O ATOM 130 OD2 ASP C 23 114.596 10.447 10.191 1.00 0.00 O ATOM 0 H ASP C 23 117.196 7.403 7.750 1.00 0.00 H new ATOM 0 HA ASP C 23 114.546 8.462 7.225 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.247 7.437 9.401 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.379 8.754 9.637 1.00 0.00 H new ATOM 135 N VAL C 24 115.137 10.726 6.446 1.00 0.00 N ATOM 136 CA VAL C 24 115.387 12.091 5.970 1.00 0.00 C ATOM 137 C VAL C 24 114.189 13.006 6.278 1.00 0.00 C ATOM 138 O VAL C 24 113.416 13.373 5.386 1.00 0.00 O ATOM 139 CB VAL C 24 115.664 12.037 4.455 1.00 0.00 C ATOM 140 CG1 VAL C 24 116.144 13.408 3.960 1.00 0.00 C ATOM 141 CG2 VAL C 24 116.739 10.970 4.176 1.00 0.00 C ATOM 0 H VAL C 24 114.301 10.298 6.049 1.00 0.00 H new ATOM 0 HA VAL C 24 116.252 12.508 6.486 1.00 0.00 H new ATOM 0 HB VAL C 24 114.747 11.777 3.926 1.00 0.00 H new ATOM 0 HG11 VAL C 24 116.337 13.361 2.888 1.00 0.00 H new ATOM 0 HG12 VAL C 24 115.376 14.156 4.157 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.060 13.683 4.482 1.00 0.00 H new ATOM 0 HG21 VAL C 24 116.940 10.927 3.105 1.00 0.00 H new ATOM 0 HG22 VAL C 24 117.655 11.229 4.707 1.00 0.00 H new ATOM 0 HG23 VAL C 24 116.384 9.998 4.518 1.00 0.00 H new ATOM 151 N GLY C 25 114.047 13.361 7.557 1.00 0.00 N ATOM 152 CA GLY C 25 112.951 14.222 8.017 1.00 0.00 C ATOM 153 C GLY C 25 113.035 15.646 7.451 1.00 0.00 C ATOM 154 O GLY C 25 112.236 16.507 7.830 1.00 0.00 O ATOM 0 H GLY C 25 114.681 13.064 8.298 1.00 0.00 H new ATOM 0 HA2 GLY C 25 111.999 13.777 7.727 1.00 0.00 H new ATOM 0 HA3 GLY C 25 112.963 14.268 9.106 1.00 0.00 H new ATOM 158 N SER C 26 113.990 15.890 6.543 1.00 0.00 N ATOM 159 CA SER C 26 114.158 17.213 5.927 1.00 0.00 C ATOM 160 C SER C 26 113.118 17.426 4.814 1.00 0.00 C ATOM 161 O SER C 26 113.451 17.862 3.707 1.00 0.00 O ATOM 162 CB SER C 26 115.582 17.341 5.365 1.00 0.00 C ATOM 163 OG SER C 26 116.523 17.210 6.425 1.00 0.00 O ATOM 0 H SER C 26 114.657 15.189 6.219 1.00 0.00 H new ATOM 0 HA SER C 26 114.004 17.981 6.685 1.00 0.00 H new ATOM 0 HB2 SER C 26 115.758 16.573 4.611 1.00 0.00 H new ATOM 0 HB3 SER C 26 115.705 18.305 4.872 1.00 0.00 H new ATOM 0 HG SER C 26 117.432 17.290 6.067 1.00 0.00 H new ATOM 169 N ASN C 27 111.857 17.115 5.132 1.00 0.00 N ATOM 170 CA ASN C 27 110.747 17.259 4.186 1.00 0.00 C ATOM 171 C ASN C 27 110.944 16.354 2.958 1.00 0.00 C ATOM 172 O ASN C 27 110.604 16.730 1.831 1.00 0.00 O ATOM 173 CB ASN C 27 110.611 18.734 3.760 1.00 0.00 C ATOM 174 CG ASN C 27 109.218 18.994 3.185 1.00 0.00 C ATOM 175 OD1 ASN C 27 108.227 18.949 3.913 1.00 0.00 O ATOM 176 ND2 ASN C 27 109.085 19.263 1.915 1.00 0.00 N ATOM 0 H ASN C 27 111.579 16.759 6.046 1.00 0.00 H new ATOM 0 HA ASN C 27 109.827 16.947 4.681 1.00 0.00 H new ATOM 0 HB2 ASN C 27 110.785 19.385 4.617 1.00 0.00 H new ATOM 0 HB3 ASN C 27 111.370 18.976 3.016 1.00 0.00 H new ATOM 0 HD21 ASN C 27 108.159 19.436 1.525 1.00 0.00 H new ATOM 0 HD22 ASN C 27 109.907 19.300 1.313 1.00 0.00 H new ATOM 183 N LYS C 28 111.479 15.148 3.199 1.00 0.00 N ATOM 184 CA LYS C 28 111.707 14.168 2.123 1.00 0.00 C ATOM 185 C LYS C 28 111.409 12.741 2.600 1.00 0.00 C ATOM 186 O LYS C 28 111.536 11.786 1.828 1.00 0.00 O ATOM 187 CB LYS C 28 113.155 14.242 1.621 1.00 0.00 C ATOM 188 CG LYS C 28 113.446 15.639 1.051 1.00 0.00 C ATOM 189 CD LYS C 28 114.668 15.581 0.125 1.00 0.00 C ATOM 190 CE LYS C 28 115.919 15.167 0.911 1.00 0.00 C ATOM 191 NZ LYS C 28 117.131 15.730 0.247 1.00 0.00 N ATOM 0 H LYS C 28 111.761 14.827 4.125 1.00 0.00 H new ATOM 0 HA LYS C 28 111.028 14.416 1.307 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.843 14.024 2.438 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.321 13.486 0.854 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.579 16.005 0.501 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.628 16.342 1.864 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.487 14.871 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.828 16.555 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.853 15.528 1.938 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.989 14.080 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.980 15.450 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 117.195 15.365 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 117.064 16.768 0.224 1.00 0.00 H new ATOM 205 N GLY C 29 111.031 12.608 3.874 1.00 0.00 N ATOM 206 CA GLY C 29 110.738 11.296 4.455 1.00 0.00 C ATOM 207 C GLY C 29 112.008 10.464 4.466 1.00 0.00 C ATOM 208 O GLY C 29 112.895 10.726 5.260 1.00 0.00 O ATOM 0 H GLY C 29 110.921 13.389 4.520 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.355 11.411 5.469 1.00 0.00 H new ATOM 0 HA3 GLY C 29 109.963 10.793 3.876 1.00 0.00 H new ATOM 212 N ALA C 30 112.102 9.474 3.576 1.00 0.00 N ATOM 213 CA ALA C 30 113.298 8.644 3.487 1.00 0.00 C ATOM 214 C ALA C 30 113.728 8.470 2.032 1.00 0.00 C ATOM 215 O ALA C 30 112.911 8.594 1.114 1.00 0.00 O ATOM 216 CB ALA C 30 113.057 7.281 4.126 1.00 0.00 C ATOM 0 H ALA C 30 111.367 9.231 2.912 1.00 0.00 H new ATOM 0 HA ALA C 30 114.098 9.148 4.030 1.00 0.00 H new ATOM 0 HB1 ALA C 30 113.962 6.678 4.049 1.00 0.00 H new ATOM 0 HB2 ALA C 30 112.797 7.412 5.176 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.240 6.777 3.610 1.00 0.00 H new ATOM 222 N ILE C 31 115.018 8.173 1.841 1.00 0.00 N ATOM 223 CA ILE C 31 115.582 7.967 0.507 1.00 0.00 C ATOM 224 C ILE C 31 115.906 6.496 0.320 1.00 0.00 C ATOM 225 O ILE C 31 116.417 5.852 1.238 1.00 0.00 O ATOM 226 CB ILE C 31 116.886 8.770 0.315 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.661 10.260 0.604 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.367 8.607 -1.132 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.005 11.004 0.564 1.00 0.00 C ATOM 0 H ILE C 31 115.692 8.070 2.599 1.00 0.00 H new ATOM 0 HA ILE C 31 114.845 8.305 -0.221 1.00 0.00 H new ATOM 0 HB ILE C 31 117.634 8.390 1.011 1.00 0.00 H new ATOM 0 HG12 ILE C 31 115.978 10.684 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.194 10.384 1.581 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.288 9.172 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.552 7.553 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.603 8.981 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.842 12.062 0.770 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.674 10.587 1.317 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.454 10.891 -0.423 1.00 0.00 H new ATOM 241 N ILE C 32 115.633 5.983 -0.874 1.00 0.00 N ATOM 242 CA ILE C 32 115.926 4.593 -1.181 1.00 0.00 C ATOM 243 C ILE C 32 117.324 4.481 -1.770 1.00 0.00 C ATOM 244 O ILE C 32 117.596 4.975 -2.869 1.00 0.00 O ATOM 245 CB ILE C 32 114.874 4.012 -2.153 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.673 3.486 -1.347 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.472 2.874 -3.005 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.046 2.194 -0.596 1.00 0.00 C ATOM 0 H ILE C 32 115.211 6.508 -1.640 1.00 0.00 H new ATOM 0 HA ILE C 32 115.884 4.013 -0.259 1.00 0.00 H new ATOM 0 HB ILE C 32 114.550 4.804 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.346 4.244 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.835 3.294 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.709 2.485 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.310 3.257 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.820 2.075 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.183 1.839 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.350 1.431 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.869 2.396 0.090 1.00 0.00 H new ATOM 260 N GLY C 33 118.185 3.795 -1.028 1.00 0.00 N ATOM 261 CA GLY C 33 119.554 3.554 -1.443 1.00 0.00 C ATOM 262 C GLY C 33 119.873 2.092 -1.213 1.00 0.00 C ATOM 263 O GLY C 33 119.433 1.509 -0.224 1.00 0.00 O ATOM 0 H GLY C 33 117.950 3.391 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.682 3.809 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.239 4.185 -0.877 1.00 0.00 H new ATOM 267 N LEU C 34 120.625 1.499 -2.127 1.00 0.00 N ATOM 268 CA LEU C 34 120.988 0.087 -2.003 1.00 0.00 C ATOM 269 C LEU C 34 122.484 -0.073 -1.923 1.00 0.00 C ATOM 270 O LEU C 34 123.248 0.807 -2.323 1.00 0.00 O ATOM 271 CB LEU C 34 120.461 -0.742 -3.179 1.00 0.00 C ATOM 272 CG LEU C 34 120.675 0.018 -4.484 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.093 -0.980 -5.568 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.374 0.752 -4.863 1.00 0.00 C ATOM 0 H LEU C 34 120.995 1.963 -2.956 1.00 0.00 H new ATOM 0 HA LEU C 34 120.527 -0.278 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.975 -1.702 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.401 -0.954 -3.040 1.00 0.00 H new ATOM 0 HG LEU C 34 121.463 0.764 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.250 -0.451 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.018 -1.474 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.309 -1.726 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.522 1.297 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.571 0.026 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.108 1.453 -4.072 1.00 0.00 H new ATOM 286 N MET C 35 122.880 -1.214 -1.392 1.00 0.00 N ATOM 287 CA MET C 35 124.283 -1.547 -1.229 1.00 0.00 C ATOM 288 C MET C 35 124.661 -2.646 -2.193 1.00 0.00 C ATOM 289 O MET C 35 123.840 -3.498 -2.510 1.00 0.00 O ATOM 290 CB MET C 35 124.560 -1.978 0.218 1.00 0.00 C ATOM 291 CG MET C 35 125.670 -1.104 0.804 1.00 0.00 C ATOM 292 SD MET C 35 127.212 -2.040 0.837 1.00 0.00 S ATOM 293 CE MET C 35 127.045 -2.581 2.546 1.00 0.00 C ATOM 0 H MET C 35 122.239 -1.936 -1.062 1.00 0.00 H new ATOM 0 HA MET C 35 124.888 -0.667 -1.446 1.00 0.00 H new ATOM 0 HB2 MET C 35 123.654 -1.885 0.817 1.00 0.00 H new ATOM 0 HB3 MET C 35 124.854 -3.027 0.247 1.00 0.00 H new ATOM 0 HG2 MET C 35 125.792 -0.201 0.205 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.403 -0.785 1.812 1.00 0.00 H new ATOM 0 HE1 MET C 35 127.970 -3.059 2.868 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.841 -1.720 3.182 1.00 0.00 H new ATOM 0 HE3 MET C 35 126.223 -3.292 2.624 1.00 0.00 H new ATOM 303 N VAL C 36 125.903 -2.591 -2.673 1.00 0.00 N ATOM 304 CA VAL C 36 126.400 -3.574 -3.643 1.00 0.00 C ATOM 305 C VAL C 36 127.709 -4.194 -3.159 1.00 0.00 C ATOM 306 O VAL C 36 128.683 -3.476 -2.910 1.00 0.00 O ATOM 307 CB VAL C 36 126.652 -2.887 -4.997 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.874 -3.942 -6.089 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.465 -1.987 -5.380 1.00 0.00 C ATOM 0 H VAL C 36 126.584 -1.879 -2.409 1.00 0.00 H new ATOM 0 HA VAL C 36 125.649 -4.356 -3.751 1.00 0.00 H new ATOM 0 HB VAL C 36 127.544 -2.268 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.051 -3.446 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.738 -4.555 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL C 36 125.990 -4.575 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.664 -1.511 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.560 -2.590 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.328 -1.221 -4.617 1.00 0.00 H new ATOM 319 N GLY C 37 127.733 -5.529 -3.041 1.00 0.00 N ATOM 320 CA GLY C 37 128.936 -6.240 -2.600 1.00 0.00 C ATOM 321 C GLY C 37 129.395 -5.756 -1.231 1.00 0.00 C ATOM 322 O GLY C 37 130.482 -5.187 -1.098 1.00 0.00 O ATOM 0 H GLY C 37 126.937 -6.133 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.734 -7.310 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.735 -6.093 -3.327 1.00 0.00 H new ATOM 326 N GLY C 38 128.549 -5.981 -0.228 1.00 0.00 N ATOM 327 CA GLY C 38 128.846 -5.564 1.139 1.00 0.00 C ATOM 328 C GLY C 38 128.633 -6.712 2.111 1.00 0.00 C ATOM 329 O GLY C 38 128.635 -7.883 1.717 1.00 0.00 O ATOM 0 H GLY C 38 127.650 -6.451 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY C 38 129.877 -5.215 1.202 1.00 0.00 H new ATOM 0 HA3 GLY C 38 128.208 -4.725 1.415 1.00 0.00 H new ATOM 333 N VAL C 39 128.460 -6.362 3.383 1.00 0.00 N ATOM 334 CA VAL C 39 128.252 -7.356 4.432 1.00 0.00 C ATOM 335 C VAL C 39 127.131 -6.912 5.380 1.00 0.00 C ATOM 336 O VAL C 39 127.023 -5.727 5.709 1.00 0.00 O ATOM 337 CB VAL C 39 129.566 -7.554 5.209 1.00 0.00 C ATOM 338 CG1 VAL C 39 129.961 -6.245 5.909 1.00 0.00 C ATOM 339 CG2 VAL C 39 129.398 -8.673 6.251 1.00 0.00 C ATOM 0 H VAL C 39 128.460 -5.397 3.712 1.00 0.00 H new ATOM 0 HA VAL C 39 127.954 -8.301 3.978 1.00 0.00 H new ATOM 0 HB VAL C 39 130.352 -7.836 4.509 1.00 0.00 H new ATOM 0 HG11 VAL C 39 130.892 -6.392 6.457 1.00 0.00 H new ATOM 0 HG12 VAL C 39 130.098 -5.461 5.164 1.00 0.00 H new ATOM 0 HG13 VAL C 39 129.174 -5.952 6.603 1.00 0.00 H new ATOM 0 HG21 VAL C 39 130.333 -8.806 6.796 1.00 0.00 H new ATOM 0 HG22 VAL C 39 128.606 -8.404 6.950 1.00 0.00 H new ATOM 0 HG23 VAL C 39 129.136 -9.603 5.747 1.00 0.00 H new ATOM 349 N VAL C 40 126.313 -7.875 5.819 1.00 0.00 N ATOM 350 CA VAL C 40 125.204 -7.595 6.739 1.00 0.00 C ATOM 351 C VAL C 40 124.977 -8.799 7.663 1.00 0.00 C ATOM 352 O VAL C 40 124.849 -9.900 7.150 1.00 0.00 O ATOM 353 CB VAL C 40 123.913 -7.287 5.950 1.00 0.00 C ATOM 354 CG1 VAL C 40 122.785 -6.891 6.920 1.00 0.00 C ATOM 355 CG2 VAL C 40 124.154 -6.127 4.969 1.00 0.00 C ATOM 356 OXT VAL C 40 124.928 -8.602 8.867 1.00 0.00 O ATOM 0 H VAL C 40 126.398 -8.856 5.552 1.00 0.00 H new ATOM 0 HA VAL C 40 125.461 -6.723 7.341 1.00 0.00 H new ATOM 0 HB VAL C 40 123.627 -8.181 5.396 1.00 0.00 H new ATOM 0 HG11 VAL C 40 121.878 -6.675 6.355 1.00 0.00 H new ATOM 0 HG12 VAL C 40 122.595 -7.712 7.612 1.00 0.00 H new ATOM 0 HG13 VAL C 40 123.082 -6.005 7.481 1.00 0.00 H new ATOM 0 HG21 VAL C 40 123.236 -5.919 4.419 1.00 0.00 H new ATOM 0 HG22 VAL C 40 124.454 -5.238 5.524 1.00 0.00 H new ATOM 0 HG23 VAL C 40 124.943 -6.401 4.269 1.00 0.00 H new TER 366 VAL C 40 ATOM 367 N GLY E 14 131.617 -1.692 0.531 1.00 0.00 N ATOM 368 CA GLY E 14 130.952 -2.036 -0.726 1.00 0.00 C ATOM 369 C GLY E 14 130.559 -0.777 -1.494 1.00 0.00 C ATOM 370 O GLY E 14 130.690 0.341 -0.984 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.615 -2.648 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.064 -2.634 -0.521 1.00 0.00 H new ATOM 374 N GLU E 15 130.042 -0.971 -2.711 1.00 0.00 N ATOM 375 CA GLU E 15 129.589 0.144 -3.540 1.00 0.00 C ATOM 376 C GLU E 15 128.147 0.451 -3.161 1.00 0.00 C ATOM 377 O GLU E 15 127.276 -0.408 -3.295 1.00 0.00 O ATOM 378 CB GLU E 15 129.701 -0.230 -5.034 1.00 0.00 C ATOM 379 CG GLU E 15 129.205 0.929 -5.928 1.00 0.00 C ATOM 380 CD GLU E 15 129.193 0.524 -7.413 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.120 -0.148 -7.847 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.251 0.898 -8.100 1.00 0.00 O ATOM 0 H GLU E 15 129.928 -1.889 -3.141 1.00 0.00 H new ATOM 0 HA GLU E 15 130.208 1.025 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.737 -0.466 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.114 -1.127 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.202 1.224 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.849 1.798 -5.791 1.00 0.00 H new ATOM 389 N ILE E 16 127.909 1.665 -2.663 1.00 0.00 N ATOM 390 CA ILE E 16 126.568 2.057 -2.234 1.00 0.00 C ATOM 391 C ILE E 16 125.920 2.992 -3.267 1.00 0.00 C ATOM 392 O ILE E 16 126.508 3.999 -3.668 1.00 0.00 O ATOM 393 CB ILE E 16 126.640 2.726 -0.846 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.509 1.855 0.121 1.00 0.00 C ATOM 395 CG2 ILE E 16 125.216 2.873 -0.299 1.00 0.00 C ATOM 396 CD1 ILE E 16 127.096 2.058 1.588 1.00 0.00 C ATOM 0 H ILE E 16 128.620 2.387 -2.548 1.00 0.00 H new ATOM 0 HA ILE E 16 125.944 1.167 -2.158 1.00 0.00 H new ATOM 0 HB ILE E 16 127.102 3.710 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.407 0.803 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.561 2.114 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE E 16 125.250 3.345 0.683 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.627 3.490 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.756 1.889 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.720 1.438 2.231 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.223 3.106 1.860 1.00 0.00 H new ATOM 0 HD13 ILE E 16 126.051 1.775 1.714 1.00 0.00 H new ATOM 408 N VAL E 17 124.707 2.613 -3.700 1.00 0.00 N ATOM 409 CA VAL E 17 123.939 3.362 -4.711 1.00 0.00 C ATOM 410 C VAL E 17 122.677 4.004 -4.118 1.00 0.00 C ATOM 411 O VAL E 17 121.998 3.407 -3.288 1.00 0.00 O ATOM 412 CB VAL E 17 123.531 2.400 -5.849 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.499 3.068 -6.781 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.771 2.015 -6.666 1.00 0.00 C ATOM 0 H VAL E 17 124.230 1.778 -3.360 1.00 0.00 H new ATOM 0 HA VAL E 17 124.574 4.163 -5.088 1.00 0.00 H new ATOM 0 HB VAL E 17 123.085 1.510 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.224 2.375 -7.576 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.610 3.334 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.932 3.968 -7.218 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.482 1.336 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.218 2.912 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.495 1.522 -6.018 1.00 0.00 H new ATOM 424 N TYR E 18 122.363 5.214 -4.603 1.00 0.00 N ATOM 425 CA TYR E 18 121.163 5.953 -4.187 1.00 0.00 C ATOM 426 C TYR E 18 120.330 6.306 -5.423 1.00 0.00 C ATOM 427 O TYR E 18 120.861 6.864 -6.387 1.00 0.00 O ATOM 428 CB TYR E 18 121.552 7.241 -3.442 1.00 0.00 C ATOM 429 CG TYR E 18 121.827 6.932 -1.998 1.00 0.00 C ATOM 430 CD1 TYR E 18 122.970 6.221 -1.638 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.936 7.374 -1.020 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.226 5.957 -0.295 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.183 7.110 0.319 1.00 0.00 C ATOM 434 CZ TYR E 18 122.334 6.401 0.692 1.00 0.00 C ATOM 435 OH TYR E 18 122.597 6.145 2.024 1.00 0.00 O ATOM 0 H TYR E 18 122.932 5.706 -5.292 1.00 0.00 H new ATOM 0 HA TYR E 18 120.579 5.325 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.434 7.686 -3.902 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.749 7.973 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.655 5.876 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.051 7.923 -1.306 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.113 5.409 -0.013 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.489 7.450 1.074 1.00 0.00 H new ATOM 0 HH TYR E 18 121.973 6.652 2.584 1.00 0.00 H new ATOM 445 N LEU E 19 119.027 5.983 -5.386 1.00 0.00 N ATOM 446 CA LEU E 19 118.126 6.277 -6.511 1.00 0.00 C ATOM 447 C LEU E 19 116.930 7.134 -6.043 1.00 0.00 C ATOM 448 O LEU E 19 115.770 6.735 -6.196 1.00 0.00 O ATOM 449 CB LEU E 19 117.616 4.962 -7.146 1.00 0.00 C ATOM 450 CG LEU E 19 118.780 4.158 -7.770 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.386 2.677 -7.887 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.128 4.700 -9.169 1.00 0.00 C ATOM 0 H LEU E 19 118.577 5.522 -4.595 1.00 0.00 H new ATOM 0 HA LEU E 19 118.685 6.840 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.118 4.358 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.874 5.188 -7.912 1.00 0.00 H new ATOM 0 HG LEU E 19 119.652 4.260 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.210 2.115 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.165 2.280 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.504 2.584 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU E 19 119.949 4.120 -9.590 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.256 4.618 -9.818 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.425 5.746 -9.090 1.00 0.00 H new ATOM 464 N PRO E 20 117.187 8.313 -5.494 1.00 0.00 N ATOM 465 CA PRO E 20 116.107 9.241 -5.023 1.00 0.00 C ATOM 466 C PRO E 20 115.345 9.845 -6.194 1.00 0.00 C ATOM 467 O PRO E 20 114.220 10.327 -6.042 1.00 0.00 O ATOM 468 CB PRO E 20 116.870 10.338 -4.268 1.00 0.00 C ATOM 469 CG PRO E 20 118.231 10.343 -4.874 1.00 0.00 C ATOM 470 CD PRO E 20 118.524 8.895 -5.266 1.00 0.00 C ATOM 0 HA PRO E 20 115.364 8.730 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.384 11.307 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.914 10.126 -3.200 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.268 10.998 -5.745 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.972 10.713 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.142 8.841 -6.162 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.060 8.368 -4.477 1.00 0.00 H new ATOM 478 N ASN E 21 115.997 9.834 -7.357 1.00 0.00 N ATOM 479 CA ASN E 21 115.430 10.400 -8.573 1.00 0.00 C ATOM 480 C ASN E 21 114.489 9.420 -9.273 1.00 0.00 C ATOM 481 O ASN E 21 113.857 9.787 -10.267 1.00 0.00 O ATOM 482 CB ASN E 21 116.575 10.786 -9.520 1.00 0.00 C ATOM 483 CG ASN E 21 117.489 11.828 -8.865 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.048 12.611 -8.021 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.747 11.889 -9.209 1.00 0.00 N ATOM 0 H ASN E 21 116.927 9.434 -7.479 1.00 0.00 H new ATOM 0 HA ASN E 21 114.844 11.278 -8.302 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.153 9.899 -9.780 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.167 11.185 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.360 12.582 -8.780 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.117 11.243 -9.907 1.00 0.00 H new ATOM 492 N LEU E 22 114.387 8.185 -8.758 1.00 0.00 N ATOM 493 CA LEU E 22 113.509 7.183 -9.358 1.00 0.00 C ATOM 494 C LEU E 22 112.169 7.147 -8.637 1.00 0.00 C ATOM 495 O LEU E 22 112.102 7.313 -7.415 1.00 0.00 O ATOM 496 CB LEU E 22 114.177 5.803 -9.305 1.00 0.00 C ATOM 497 CG LEU E 22 115.057 5.586 -10.551 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.145 6.672 -10.647 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.707 4.194 -10.469 1.00 0.00 C ATOM 0 H LEU E 22 114.898 7.864 -7.936 1.00 0.00 H new ATOM 0 HA LEU E 22 113.332 7.452 -10.399 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.784 5.720 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.416 5.025 -9.249 1.00 0.00 H new ATOM 0 HG LEU E 22 114.435 5.652 -11.443 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.754 6.499 -11.534 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.675 7.653 -10.715 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.777 6.634 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.332 4.032 -11.347 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.321 4.131 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU E 22 114.929 3.431 -10.431 1.00 0.00 H new ATOM 511 N ASN E 23 111.109 6.911 -9.409 1.00 0.00 N ATOM 512 CA ASN E 23 109.754 6.834 -8.855 1.00 0.00 C ATOM 513 C ASN E 23 109.483 5.405 -8.377 1.00 0.00 C ATOM 514 O ASN E 23 110.206 4.480 -8.762 1.00 0.00 O ATOM 515 CB ASN E 23 108.696 7.276 -9.894 1.00 0.00 C ATOM 516 CG ASN E 23 109.073 6.838 -11.308 1.00 0.00 C ATOM 517 OD1 ASN E 23 110.144 7.180 -11.801 1.00 0.00 O ATOM 518 ND2 ASN E 23 108.242 6.113 -12.000 1.00 0.00 N ATOM 0 H ASN E 23 111.160 6.770 -10.418 1.00 0.00 H new ATOM 0 HA ASN E 23 109.681 7.517 -8.009 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.727 6.853 -9.629 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.589 8.360 -9.866 1.00 0.00 H new ATOM 0 HD21 ASN E 23 108.481 5.830 -12.950 1.00 0.00 H new ATOM 0 HD22 ASN E 23 107.352 5.828 -11.592 1.00 0.00 H new ATOM 525 N PRO E 24 108.478 5.195 -7.538 1.00 0.00 N ATOM 526 CA PRO E 24 108.158 3.830 -7.007 1.00 0.00 C ATOM 527 C PRO E 24 108.027 2.794 -8.120 1.00 0.00 C ATOM 528 O PRO E 24 108.387 1.632 -7.932 1.00 0.00 O ATOM 529 CB PRO E 24 106.828 4.024 -6.270 1.00 0.00 C ATOM 530 CG PRO E 24 106.791 5.470 -5.903 1.00 0.00 C ATOM 531 CD PRO E 24 107.552 6.214 -7.000 1.00 0.00 C ATOM 0 HA PRO E 24 108.949 3.447 -6.363 1.00 0.00 H new ATOM 0 HB2 PRO E 24 105.983 3.757 -6.905 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.773 3.391 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.763 5.827 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.253 5.635 -4.930 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.878 6.589 -7.770 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.091 7.074 -6.601 1.00 0.00 H new ATOM 539 N ASP E 25 107.539 3.231 -9.283 1.00 0.00 N ATOM 540 CA ASP E 25 107.397 2.336 -10.429 1.00 0.00 C ATOM 541 C ASP E 25 108.775 1.858 -10.882 1.00 0.00 C ATOM 542 O ASP E 25 108.988 0.666 -11.113 1.00 0.00 O ATOM 543 CB ASP E 25 106.714 3.072 -11.585 1.00 0.00 C ATOM 544 CG ASP E 25 106.365 2.086 -12.703 1.00 0.00 C ATOM 545 OD1 ASP E 25 105.325 1.454 -12.606 1.00 0.00 O ATOM 546 OD2 ASP E 25 107.144 1.975 -13.637 1.00 0.00 O ATOM 0 H ASP E 25 107.238 4.191 -9.454 1.00 0.00 H new ATOM 0 HA ASP E 25 106.790 1.480 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP E 25 105.809 3.565 -11.229 1.00 0.00 H new ATOM 0 HB3 ASP E 25 107.372 3.852 -11.969 1.00 0.00 H new ATOM 551 N GLN E 26 109.701 2.814 -11.004 1.00 0.00 N ATOM 552 CA GLN E 26 111.064 2.527 -11.428 1.00 0.00 C ATOM 553 C GLN E 26 111.804 1.681 -10.392 1.00 0.00 C ATOM 554 O GLN E 26 112.446 0.692 -10.748 1.00 0.00 O ATOM 555 CB GLN E 26 111.803 3.851 -11.646 1.00 0.00 C ATOM 556 CG GLN E 26 111.201 4.590 -12.853 1.00 0.00 C ATOM 557 CD GLN E 26 111.472 3.813 -14.137 1.00 0.00 C ATOM 558 OE1 GLN E 26 112.678 3.394 -14.382 1.00 0.00 O flip ATOM 559 NE2 GLN E 26 110.563 3.580 -14.934 1.00 0.00 N flip ATOM 0 H GLN E 26 109.523 3.800 -10.812 1.00 0.00 H new ATOM 0 HA GLN E 26 111.030 1.957 -12.356 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.728 4.472 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.863 3.663 -11.815 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.127 4.713 -12.714 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.630 5.589 -12.927 1.00 0.00 H new ATOM 0 HE21 GLN E 26 109.617 3.910 -14.740 1.00 0.00 H new ATOM 0 HE22 GLN E 26 110.755 3.057 -15.788 1.00 0.00 H new ATOM 568 N LEU E 27 111.708 2.070 -9.113 1.00 0.00 N ATOM 569 CA LEU E 27 112.378 1.317 -8.045 1.00 0.00 C ATOM 570 C LEU E 27 111.802 -0.096 -7.959 1.00 0.00 C ATOM 571 O LEU E 27 112.547 -1.059 -7.778 1.00 0.00 O ATOM 572 CB LEU E 27 112.229 2.021 -6.685 1.00 0.00 C ATOM 573 CG LEU E 27 112.885 3.416 -6.713 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.731 4.089 -5.342 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.386 3.307 -7.041 1.00 0.00 C ATOM 0 H LEU E 27 111.183 2.886 -8.797 1.00 0.00 H new ATOM 0 HA LEU E 27 113.439 1.265 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.173 2.116 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.688 1.414 -5.905 1.00 0.00 H new ATOM 0 HG LEU E 27 112.390 4.008 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.196 5.075 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.672 4.193 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.215 3.478 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.829 4.303 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.881 2.701 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.512 2.840 -8.018 1.00 0.00 H new ATOM 587 N CYS E 28 110.477 -0.212 -8.105 1.00 0.00 N ATOM 588 CA CYS E 28 109.817 -1.520 -8.059 1.00 0.00 C ATOM 589 C CYS E 28 110.237 -2.359 -9.267 1.00 0.00 C ATOM 590 O CYS E 28 110.528 -3.549 -9.132 1.00 0.00 O ATOM 591 CB CYS E 28 108.292 -1.354 -8.038 1.00 0.00 C ATOM 592 SG CYS E 28 107.515 -2.932 -7.607 1.00 0.00 S ATOM 0 H CYS E 28 109.847 0.576 -8.255 1.00 0.00 H new ATOM 0 HA CYS E 28 110.121 -2.031 -7.146 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.009 -0.589 -7.315 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.939 -1.018 -9.013 1.00 0.00 H new ATOM 597 N ALA E 29 110.277 -1.718 -10.445 1.00 0.00 N ATOM 598 CA ALA E 29 110.677 -2.396 -11.682 1.00 0.00 C ATOM 599 C ALA E 29 112.122 -2.872 -11.568 1.00 0.00 C ATOM 600 O ALA E 29 112.447 -4.015 -11.906 1.00 0.00 O ATOM 601 CB ALA E 29 110.557 -1.425 -12.864 1.00 0.00 C ATOM 0 H ALA E 29 110.037 -0.734 -10.564 1.00 0.00 H new ATOM 0 HA ALA E 29 110.024 -3.254 -11.844 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.855 -1.931 -13.782 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.525 -1.087 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.206 -0.566 -12.696 1.00 0.00 H new ATOM 607 N PHE E 30 112.971 -1.976 -11.071 1.00 0.00 N ATOM 608 CA PHE E 30 114.386 -2.269 -10.878 1.00 0.00 C ATOM 609 C PHE E 30 114.551 -3.407 -9.871 1.00 0.00 C ATOM 610 O PHE E 30 115.263 -4.372 -10.130 1.00 0.00 O ATOM 611 CB PHE E 30 115.087 -0.993 -10.384 1.00 0.00 C ATOM 612 CG PHE E 30 116.518 -1.287 -9.990 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.441 -1.724 -10.946 1.00 0.00 C ATOM 614 CD2 PHE E 30 116.915 -1.124 -8.657 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.760 -1.993 -10.568 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.233 -1.393 -8.282 1.00 0.00 C ATOM 617 CZ PHE E 30 119.153 -1.826 -9.236 1.00 0.00 C ATOM 0 H PHE E 30 112.699 -1.033 -10.793 1.00 0.00 H new ATOM 0 HA PHE E 30 114.837 -2.587 -11.818 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.069 -0.236 -11.168 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.547 -0.582 -9.531 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.135 -1.853 -11.974 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.201 -0.790 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.475 -2.330 -11.304 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.539 -1.266 -7.254 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.172 -2.033 -8.946 1.00 0.00 H new ATOM 627 N ILE E 31 113.877 -3.279 -8.730 1.00 0.00 N ATOM 628 CA ILE E 31 113.929 -4.292 -7.675 1.00 0.00 C ATOM 629 C ILE E 31 113.383 -5.635 -8.178 1.00 0.00 C ATOM 630 O ILE E 31 113.856 -6.695 -7.755 1.00 0.00 O ATOM 631 CB ILE E 31 113.147 -3.763 -6.451 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.007 -2.702 -5.751 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.813 -4.871 -5.440 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.181 -1.958 -4.699 1.00 0.00 C ATOM 0 H ILE E 31 113.284 -2.478 -8.511 1.00 0.00 H new ATOM 0 HA ILE E 31 114.962 -4.475 -7.379 1.00 0.00 H new ATOM 0 HB ILE E 31 112.204 -3.350 -6.809 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.868 -3.175 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.394 -1.996 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.264 -4.444 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.202 -5.633 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.736 -5.323 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.804 -1.209 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.335 -1.468 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.816 -2.666 -3.956 1.00 0.00 H new ATOM 646 N HIS E 32 112.404 -5.585 -9.086 1.00 0.00 N ATOM 647 CA HIS E 32 111.819 -6.806 -9.644 1.00 0.00 C ATOM 648 C HIS E 32 112.854 -7.534 -10.502 1.00 0.00 C ATOM 649 O HIS E 32 113.087 -8.736 -10.337 1.00 0.00 O ATOM 650 CB HIS E 32 110.593 -6.451 -10.499 1.00 0.00 C ATOM 651 CG HIS E 32 109.890 -7.708 -10.936 1.00 0.00 C ATOM 652 ND1 HIS E 32 108.895 -8.295 -10.173 1.00 0.00 N ATOM 653 CD2 HIS E 32 110.028 -8.500 -12.048 1.00 0.00 C ATOM 654 CE1 HIS E 32 108.473 -9.392 -10.829 1.00 0.00 C ATOM 655 NE2 HIS E 32 109.132 -9.563 -11.979 1.00 0.00 N ATOM 0 H HIS E 32 112.003 -4.720 -9.447 1.00 0.00 H new ATOM 0 HA HIS E 32 111.510 -7.459 -8.827 1.00 0.00 H new ATOM 0 HB2 HIS E 32 109.910 -5.822 -9.927 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.902 -5.875 -11.371 1.00 0.00 H new ATOM 0 HD2 HIS E 32 110.725 -8.325 -12.854 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.697 -10.053 -10.470 1.00 0.00 H new ATOM 0 HE2 HIS E 32 109.006 -10.312 -12.660 1.00 0.00 H new ATOM 664 N SER E 33 113.476 -6.779 -11.411 1.00 0.00 N ATOM 665 CA SER E 33 114.502 -7.322 -12.303 1.00 0.00 C ATOM 666 C SER E 33 115.750 -7.729 -11.515 1.00 0.00 C ATOM 667 O SER E 33 116.336 -8.788 -11.755 1.00 0.00 O ATOM 668 CB SER E 33 114.870 -6.260 -13.343 1.00 0.00 C ATOM 669 OG SER E 33 115.767 -6.816 -14.298 1.00 0.00 O ATOM 0 H SER E 33 113.286 -5.786 -11.548 1.00 0.00 H new ATOM 0 HA SER E 33 114.108 -8.210 -12.797 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.971 -5.898 -13.842 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.330 -5.402 -12.854 1.00 0.00 H new ATOM 0 HG SER E 33 115.875 -6.193 -15.047 1.00 0.00 H new ATOM 675 N LEU E 34 116.136 -6.862 -10.577 1.00 0.00 N ATOM 676 CA LEU E 34 117.308 -7.080 -9.726 1.00 0.00 C ATOM 677 C LEU E 34 117.184 -8.402 -8.968 1.00 0.00 C ATOM 678 O LEU E 34 118.158 -9.148 -8.840 1.00 0.00 O ATOM 679 CB LEU E 34 117.422 -5.902 -8.740 1.00 0.00 C ATOM 680 CG LEU E 34 118.656 -6.043 -7.830 1.00 0.00 C ATOM 681 CD1 LEU E 34 119.941 -6.031 -8.676 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.683 -4.867 -6.830 1.00 0.00 C ATOM 0 H LEU E 34 115.645 -5.989 -10.386 1.00 0.00 H new ATOM 0 HA LEU E 34 118.205 -7.134 -10.343 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.484 -4.966 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.522 -5.850 -8.128 1.00 0.00 H new ATOM 0 HG LEU E 34 118.600 -6.988 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.808 -6.131 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.920 -6.862 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU E 34 120.007 -5.091 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.555 -4.960 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.736 -3.926 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.777 -4.884 -6.224 1.00 0.00 H new ATOM 694 N HIS E 35 115.973 -8.680 -8.476 1.00 0.00 N ATOM 695 CA HIS E 35 115.703 -9.911 -7.734 1.00 0.00 C ATOM 696 C HIS E 35 115.645 -11.127 -8.671 1.00 0.00 C ATOM 697 O HIS E 35 116.240 -12.168 -8.381 1.00 0.00 O ATOM 698 CB HIS E 35 114.373 -9.772 -6.980 1.00 0.00 C ATOM 699 CG HIS E 35 114.112 -11.015 -6.166 1.00 0.00 C ATOM 700 ND1 HIS E 35 114.791 -11.283 -4.987 1.00 0.00 N ATOM 701 CD2 HIS E 35 113.258 -12.074 -6.355 1.00 0.00 C ATOM 702 CE1 HIS E 35 114.337 -12.459 -4.517 1.00 0.00 C ATOM 703 NE2 HIS E 35 113.401 -12.984 -5.313 1.00 0.00 N ATOM 0 H HIS E 35 115.164 -8.067 -8.579 1.00 0.00 H new ATOM 0 HA HIS E 35 116.516 -10.070 -7.026 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.404 -8.899 -6.328 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.559 -9.612 -7.687 1.00 0.00 H new ATOM 0 HD2 HIS E 35 112.578 -12.184 -7.187 1.00 0.00 H new ATOM 0 HE1 HIS E 35 114.687 -12.923 -3.606 1.00 0.00 H new ATOM 0 HE2 HIS E 35 112.899 -13.863 -5.184 1.00 0.00 H new ATOM 712 N ASP E 36 114.898 -10.988 -9.773 1.00 0.00 N ATOM 713 CA ASP E 36 114.727 -12.080 -10.742 1.00 0.00 C ATOM 714 C ASP E 36 116.066 -12.574 -11.295 1.00 0.00 C ATOM 715 O ASP E 36 116.255 -13.780 -11.478 1.00 0.00 O ATOM 716 CB ASP E 36 113.841 -11.607 -11.910 1.00 0.00 C ATOM 717 CG ASP E 36 112.378 -11.376 -11.479 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.061 -11.544 -10.307 1.00 0.00 O ATOM 719 OD2 ASP E 36 111.588 -11.033 -12.344 1.00 0.00 O ATOM 0 H ASP E 36 114.402 -10.131 -10.017 1.00 0.00 H new ATOM 0 HA ASP E 36 114.253 -12.909 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.247 -10.682 -12.320 1.00 0.00 H new ATOM 0 HB3 ASP E 36 113.869 -12.349 -12.708 1.00 0.00 H new ATOM 724 N ASP E 37 116.979 -11.638 -11.569 1.00 0.00 N ATOM 725 CA ASP E 37 118.299 -11.975 -12.117 1.00 0.00 C ATOM 726 C ASP E 37 119.414 -11.431 -11.208 1.00 0.00 C ATOM 727 O ASP E 37 119.930 -10.331 -11.435 1.00 0.00 O ATOM 728 CB ASP E 37 118.428 -11.392 -13.533 1.00 0.00 C ATOM 729 CG ASP E 37 117.463 -12.104 -14.485 1.00 0.00 C ATOM 730 OD1 ASP E 37 117.830 -13.149 -14.997 1.00 0.00 O ATOM 731 OD2 ASP E 37 116.371 -11.594 -14.684 1.00 0.00 O ATOM 0 H ASP E 37 116.830 -10.640 -11.421 1.00 0.00 H new ATOM 0 HA ASP E 37 118.400 -13.059 -12.165 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.212 -10.324 -13.516 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.452 -11.505 -13.889 1.00 0.00 H new ATOM 736 N PRO E 38 119.781 -12.171 -10.174 1.00 0.00 N ATOM 737 CA PRO E 38 120.842 -11.738 -9.209 1.00 0.00 C ATOM 738 C PRO E 38 122.246 -11.745 -9.827 1.00 0.00 C ATOM 739 O PRO E 38 123.072 -10.884 -9.513 1.00 0.00 O ATOM 740 CB PRO E 38 120.734 -12.751 -8.062 1.00 0.00 C ATOM 741 CG PRO E 38 120.124 -13.972 -8.665 1.00 0.00 C ATOM 742 CD PRO E 38 119.234 -13.496 -9.814 1.00 0.00 C ATOM 0 HA PRO E 38 120.694 -10.708 -8.886 1.00 0.00 H new ATOM 0 HB2 PRO E 38 121.714 -12.970 -7.638 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.116 -12.363 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO E 38 120.895 -14.651 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.541 -14.519 -7.925 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.272 -14.185 -10.658 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.191 -13.426 -9.506 1.00 0.00 H new ATOM 750 N SER E 39 122.503 -12.722 -10.698 1.00 0.00 N ATOM 751 CA SER E 39 123.810 -12.847 -11.358 1.00 0.00 C ATOM 752 C SER E 39 124.138 -11.598 -12.185 1.00 0.00 C ATOM 753 O SER E 39 125.300 -11.195 -12.276 1.00 0.00 O ATOM 754 CB SER E 39 123.816 -14.085 -12.263 1.00 0.00 C ATOM 755 OG SER E 39 125.097 -14.232 -12.872 1.00 0.00 O ATOM 0 H SER E 39 121.827 -13.438 -10.964 1.00 0.00 H new ATOM 0 HA SER E 39 124.572 -12.952 -10.586 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.576 -14.974 -11.680 1.00 0.00 H new ATOM 0 HB3 SER E 39 123.047 -13.990 -13.030 1.00 0.00 H new ATOM 0 HG SER E 39 125.081 -13.835 -13.768 1.00 0.00 H new ATOM 761 N GLN E 40 123.105 -11.009 -12.794 1.00 0.00 N ATOM 762 CA GLN E 40 123.261 -9.813 -13.633 1.00 0.00 C ATOM 763 C GLN E 40 123.044 -8.527 -12.829 1.00 0.00 C ATOM 764 O GLN E 40 122.957 -7.441 -13.406 1.00 0.00 O ATOM 765 CB GLN E 40 122.229 -9.860 -14.767 1.00 0.00 C ATOM 766 CG GLN E 40 122.698 -10.805 -15.883 1.00 0.00 C ATOM 767 CD GLN E 40 122.767 -12.243 -15.375 1.00 0.00 C ATOM 768 OE1 GLN E 40 123.929 -12.820 -15.231 1.00 0.00 O flip ATOM 769 NE2 GLN E 40 121.736 -12.856 -15.100 1.00 0.00 N flip ATOM 0 H GLN E 40 122.144 -11.343 -12.722 1.00 0.00 H new ATOM 0 HA GLN E 40 124.277 -9.807 -14.027 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.268 -10.196 -14.378 1.00 0.00 H new ATOM 0 HB3 GLN E 40 122.077 -8.859 -15.170 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.014 -10.745 -16.729 1.00 0.00 H new ATOM 0 HG3 GLN E 40 123.678 -10.493 -16.243 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.829 -12.404 -15.213 1.00 0.00 H new ATOM 0 HE22 GLN E 40 121.789 -13.816 -14.759 1.00 0.00 H new ATOM 778 N SER E 41 122.933 -8.659 -11.504 1.00 0.00 N ATOM 779 CA SER E 41 122.686 -7.509 -10.629 1.00 0.00 C ATOM 780 C SER E 41 123.602 -6.325 -10.931 1.00 0.00 C ATOM 781 O SER E 41 123.144 -5.187 -10.925 1.00 0.00 O ATOM 782 CB SER E 41 122.889 -7.918 -9.182 1.00 0.00 C ATOM 783 OG SER E 41 121.778 -8.681 -8.746 1.00 0.00 O ATOM 0 H SER E 41 123.010 -9.550 -11.014 1.00 0.00 H new ATOM 0 HA SER E 41 121.659 -7.192 -10.810 1.00 0.00 H new ATOM 0 HB2 SER E 41 123.805 -8.500 -9.083 1.00 0.00 H new ATOM 0 HB3 SER E 41 123.004 -7.033 -8.556 1.00 0.00 H new ATOM 0 HG SER E 41 122.071 -9.590 -8.527 1.00 0.00 H new ATOM 789 N ALA E 42 124.882 -6.595 -11.185 1.00 0.00 N ATOM 790 CA ALA E 42 125.832 -5.521 -11.476 1.00 0.00 C ATOM 791 C ALA E 42 125.462 -4.804 -12.775 1.00 0.00 C ATOM 792 O ALA E 42 125.473 -3.570 -12.832 1.00 0.00 O ATOM 793 CB ALA E 42 127.252 -6.082 -11.576 1.00 0.00 C ATOM 0 H ALA E 42 125.281 -7.534 -11.196 1.00 0.00 H new ATOM 0 HA ALA E 42 125.790 -4.800 -10.659 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.949 -5.272 -11.793 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.525 -6.552 -10.631 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.295 -6.822 -12.375 1.00 0.00 H new ATOM 799 N ASN E 43 125.123 -5.581 -13.810 1.00 0.00 N ATOM 800 CA ASN E 43 124.740 -5.001 -15.099 1.00 0.00 C ATOM 801 C ASN E 43 123.416 -4.255 -14.978 1.00 0.00 C ATOM 802 O ASN E 43 123.286 -3.130 -15.461 1.00 0.00 O ATOM 803 CB ASN E 43 124.613 -6.095 -16.164 1.00 0.00 C ATOM 804 CG ASN E 43 125.997 -6.529 -16.635 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.420 -7.657 -16.383 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.728 -5.691 -17.314 1.00 0.00 N ATOM 0 H ASN E 43 125.106 -6.600 -13.780 1.00 0.00 H new ATOM 0 HA ASN E 43 125.519 -4.300 -15.398 1.00 0.00 H new ATOM 0 HB2 ASN E 43 124.074 -6.950 -15.756 1.00 0.00 H new ATOM 0 HB3 ASN E 43 124.032 -5.726 -17.009 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.654 -5.969 -17.639 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.374 -4.757 -17.521 1.00 0.00 H new ATOM 813 N LEU E 44 122.443 -4.897 -14.321 1.00 0.00 N ATOM 814 CA LEU E 44 121.117 -4.304 -14.125 1.00 0.00 C ATOM 815 C LEU E 44 121.227 -2.985 -13.369 1.00 0.00 C ATOM 816 O LEU E 44 120.514 -2.024 -13.675 1.00 0.00 O ATOM 817 CB LEU E 44 120.218 -5.267 -13.338 1.00 0.00 C ATOM 818 CG LEU E 44 119.974 -6.555 -14.147 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.337 -7.617 -13.244 1.00 0.00 C ATOM 820 CD2 LEU E 44 119.038 -6.262 -15.330 1.00 0.00 C ATOM 0 H LEU E 44 122.550 -5.827 -13.916 1.00 0.00 H new ATOM 0 HA LEU E 44 120.679 -4.117 -15.105 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.684 -5.512 -12.384 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.266 -4.785 -13.114 1.00 0.00 H new ATOM 0 HG LEU E 44 120.928 -6.922 -14.526 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.165 -8.527 -13.818 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.005 -7.834 -12.411 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.387 -7.246 -12.860 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.871 -7.178 -15.897 1.00 0.00 H new ATOM 0 HD22 LEU E 44 118.085 -5.887 -14.956 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.493 -5.513 -15.977 1.00 0.00 H new ATOM 832 N LEU E 45 122.128 -2.946 -12.384 1.00 0.00 N ATOM 833 CA LEU E 45 122.326 -1.735 -11.596 1.00 0.00 C ATOM 834 C LEU E 45 122.849 -0.619 -12.488 1.00 0.00 C ATOM 835 O LEU E 45 122.453 0.537 -12.340 1.00 0.00 O ATOM 836 CB LEU E 45 123.322 -1.985 -10.450 1.00 0.00 C ATOM 837 CG LEU E 45 122.849 -1.324 -9.138 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.028 -1.269 -8.166 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.302 0.103 -9.386 1.00 0.00 C ATOM 0 H LEU E 45 122.723 -3.730 -12.118 1.00 0.00 H new ATOM 0 HA LEU E 45 121.367 -1.444 -11.168 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.441 -3.058 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.301 -1.592 -10.725 1.00 0.00 H new ATOM 0 HG LEU E 45 122.037 -1.918 -8.718 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.709 -0.804 -7.233 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.381 -2.280 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU E 45 124.835 -0.683 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU E 45 121.978 0.538 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.086 0.723 -9.821 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.456 0.054 -10.072 1.00 0.00 H new ATOM 851 N ALA E 46 123.727 -0.979 -13.432 1.00 0.00 N ATOM 852 CA ALA E 46 124.284 0.003 -14.360 1.00 0.00 C ATOM 853 C ALA E 46 123.142 0.741 -15.054 1.00 0.00 C ATOM 854 O ALA E 46 123.214 1.947 -15.280 1.00 0.00 O ATOM 855 CB ALA E 46 125.165 -0.699 -15.404 1.00 0.00 C ATOM 0 H ALA E 46 124.062 -1.933 -13.570 1.00 0.00 H new ATOM 0 HA ALA E 46 124.897 0.716 -13.809 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.575 0.041 -16.091 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.981 -1.219 -14.901 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.565 -1.418 -15.962 1.00 0.00 H new ATOM 861 N GLU E 47 122.083 -0.009 -15.358 1.00 0.00 N ATOM 862 CA GLU E 47 120.895 0.544 -16.007 1.00 0.00 C ATOM 863 C GLU E 47 120.157 1.466 -15.063 1.00 0.00 C ATOM 864 O GLU E 47 119.649 2.510 -15.473 1.00 0.00 O ATOM 865 CB GLU E 47 119.931 -0.575 -16.409 1.00 0.00 C ATOM 866 CG GLU E 47 120.722 -1.740 -16.985 1.00 0.00 C ATOM 867 CD GLU E 47 119.802 -2.759 -17.669 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.803 -3.137 -17.071 1.00 0.00 O ATOM 869 OE2 GLU E 47 120.113 -3.151 -18.781 1.00 0.00 O ATOM 0 H GLU E 47 122.024 -1.009 -15.163 1.00 0.00 H new ATOM 0 HA GLU E 47 121.229 1.091 -16.889 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.357 -0.904 -15.543 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.216 -0.207 -17.145 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.451 -1.366 -17.704 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.282 -2.230 -16.189 1.00 0.00 H new ATOM 876 N ALA E 48 120.092 1.068 -13.790 1.00 0.00 N ATOM 877 CA ALA E 48 119.402 1.871 -12.813 1.00 0.00 C ATOM 878 C ALA E 48 120.192 3.141 -12.575 1.00 0.00 C ATOM 879 O ALA E 48 119.624 4.205 -12.332 1.00 0.00 O ATOM 880 CB ALA E 48 119.180 1.110 -11.511 1.00 0.00 C ATOM 0 H ALA E 48 120.505 0.208 -13.429 1.00 0.00 H new ATOM 0 HA ALA E 48 118.414 2.123 -13.198 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.657 1.750 -10.800 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.582 0.220 -11.707 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.143 0.815 -11.093 1.00 0.00 H new ATOM 886 N LYS E 49 121.522 3.032 -12.690 1.00 0.00 N ATOM 887 CA LYS E 49 122.385 4.193 -12.531 1.00 0.00 C ATOM 888 C LYS E 49 122.112 5.156 -13.691 1.00 0.00 C ATOM 889 O LYS E 49 121.998 6.370 -13.494 1.00 0.00 O ATOM 890 CB LYS E 49 123.863 3.774 -12.492 1.00 0.00 C ATOM 891 CG LYS E 49 124.492 4.139 -11.129 1.00 0.00 C ATOM 892 CD LYS E 49 124.203 3.034 -10.105 1.00 0.00 C ATOM 893 CE LYS E 49 125.170 1.854 -10.302 1.00 0.00 C ATOM 894 NZ LYS E 49 126.571 2.293 -10.027 1.00 0.00 N ATOM 0 H LYS E 49 122.012 2.160 -12.890 1.00 0.00 H new ATOM 0 HA LYS E 49 122.171 4.690 -11.585 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.948 2.701 -12.663 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.409 4.269 -13.295 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.568 4.271 -11.240 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.089 5.088 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.304 3.430 -9.095 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.174 2.691 -10.211 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.899 1.035 -9.636 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.092 1.475 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.117 2.284 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.562 3.256 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.010 1.644 -9.343 1.00 0.00 H new ATOM 908 N LYS E 50 121.932 4.583 -14.896 1.00 0.00 N ATOM 909 CA LYS E 50 121.581 5.386 -16.068 1.00 0.00 C ATOM 910 C LYS E 50 120.236 6.048 -15.785 1.00 0.00 C ATOM 911 O LYS E 50 120.022 7.205 -16.129 1.00 0.00 O ATOM 912 CB LYS E 50 121.475 4.516 -17.331 1.00 0.00 C ATOM 913 CG LYS E 50 122.861 4.016 -17.758 1.00 0.00 C ATOM 914 CD LYS E 50 122.729 3.152 -19.024 1.00 0.00 C ATOM 915 CE LYS E 50 124.024 2.368 -19.265 1.00 0.00 C ATOM 916 NZ LYS E 50 125.135 3.316 -19.571 1.00 0.00 N ATOM 0 H LYS E 50 122.023 3.583 -15.076 1.00 0.00 H new ATOM 0 HA LYS E 50 122.357 6.130 -16.248 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.819 3.667 -17.141 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.025 5.092 -18.140 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.521 4.862 -17.950 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.313 3.435 -16.954 1.00 0.00 H new ATOM 0 HD2 LYS E 50 121.892 2.462 -18.917 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.513 3.785 -19.885 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.271 1.775 -18.384 1.00 0.00 H new ATOM 0 HE3 LYS E 50 123.890 1.670 -20.092 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 125.977 2.781 -19.866 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 124.844 3.955 -20.338 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 125.359 3.873 -18.722 1.00 0.00 H new ATOM 930 N LEU E 51 119.357 5.293 -15.104 1.00 0.00 N ATOM 931 CA LEU E 51 118.042 5.797 -14.708 1.00 0.00 C ATOM 932 C LEU E 51 118.232 6.942 -13.719 1.00 0.00 C ATOM 933 O LEU E 51 117.522 7.949 -13.773 1.00 0.00 O ATOM 934 CB LEU E 51 117.231 4.679 -14.029 1.00 0.00 C ATOM 935 CG LEU E 51 116.050 4.192 -14.886 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.933 5.252 -14.911 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.503 3.858 -16.321 1.00 0.00 C ATOM 0 H LEU E 51 119.539 4.331 -14.819 1.00 0.00 H new ATOM 0 HA LEU E 51 117.506 6.142 -15.592 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.890 3.837 -13.815 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.854 5.040 -13.072 1.00 0.00 H new ATOM 0 HG LEU E 51 115.661 3.280 -14.434 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.104 4.893 -15.521 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.583 5.435 -13.895 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.320 6.179 -15.334 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.647 3.517 -16.903 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.925 4.749 -16.786 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.258 3.072 -16.291 1.00 0.00 H new ATOM 949 N ASN E 52 119.214 6.768 -12.816 1.00 0.00 N ATOM 950 CA ASN E 52 119.531 7.779 -11.809 1.00 0.00 C ATOM 951 C ASN E 52 119.839 9.099 -12.517 1.00 0.00 C ATOM 952 O ASN E 52 119.398 10.168 -12.086 1.00 0.00 O ATOM 953 CB ASN E 52 120.738 7.322 -10.956 1.00 0.00 C ATOM 954 CG ASN E 52 120.856 8.194 -9.706 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.943 8.232 -8.883 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.935 8.903 -9.515 1.00 0.00 N ATOM 0 H ASN E 52 119.798 5.933 -12.769 1.00 0.00 H new ATOM 0 HA ASN E 52 118.681 7.917 -11.141 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.617 6.277 -10.670 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.654 7.388 -11.543 1.00 0.00 H new ATOM 0 HD21 ASN E 52 122.020 9.488 -8.684 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.693 8.872 -10.197 1.00 0.00 H new ATOM 963 N ASP E 53 120.567 8.991 -13.635 1.00 0.00 N ATOM 964 CA ASP E 53 120.909 10.153 -14.457 1.00 0.00 C ATOM 965 C ASP E 53 119.732 10.528 -15.373 1.00 0.00 C ATOM 966 O ASP E 53 119.584 11.685 -15.771 1.00 0.00 O ATOM 967 CB ASP E 53 122.149 9.843 -15.313 1.00 0.00 C ATOM 968 CG ASP E 53 123.363 9.554 -14.421 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.790 10.459 -13.718 1.00 0.00 O ATOM 970 OD2 ASP E 53 123.849 8.435 -14.454 1.00 0.00 O ATOM 0 H ASP E 53 120.931 8.107 -13.990 1.00 0.00 H new ATOM 0 HA ASP E 53 121.125 10.993 -13.797 1.00 0.00 H new ATOM 0 HB2 ASP E 53 121.949 8.984 -15.954 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.365 10.687 -15.968 1.00 0.00 H new ATOM 975 N ALA E 54 118.920 9.521 -15.719 1.00 0.00 N ATOM 976 CA ALA E 54 117.764 9.709 -16.609 1.00 0.00 C ATOM 977 C ALA E 54 116.666 10.547 -15.957 1.00 0.00 C ATOM 978 O ALA E 54 115.931 11.255 -16.650 1.00 0.00 O ATOM 979 CB ALA E 54 117.178 8.344 -17.007 1.00 0.00 C ATOM 0 H ALA E 54 119.042 8.562 -15.395 1.00 0.00 H new ATOM 0 HA ALA E 54 118.122 10.241 -17.490 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.323 8.493 -17.666 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.938 7.759 -17.526 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.858 7.811 -16.112 1.00 0.00 H new ATOM 985 N GLN E 55 116.551 10.446 -14.628 1.00 0.00 N ATOM 986 CA GLN E 55 115.523 11.184 -13.882 1.00 0.00 C ATOM 987 C GLN E 55 116.165 12.178 -12.918 1.00 0.00 C ATOM 988 O GLN E 55 115.488 12.790 -12.087 1.00 0.00 O ATOM 989 CB GLN E 55 114.618 10.199 -13.131 1.00 0.00 C ATOM 990 CG GLN E 55 114.003 9.224 -14.149 1.00 0.00 C ATOM 991 CD GLN E 55 112.823 8.442 -13.560 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.215 7.632 -14.258 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.449 8.632 -12.323 1.00 0.00 N ATOM 0 H GLN E 55 117.154 9.863 -14.048 1.00 0.00 H new ATOM 0 HA GLN E 55 114.914 11.750 -14.586 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.192 9.652 -12.383 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.833 10.736 -12.600 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.668 9.779 -15.025 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.767 8.525 -14.488 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.947 9.302 -11.737 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.659 8.111 -11.943 1.00 0.00 H new ATOM 1002 N ALA E 56 117.481 12.316 -13.050 1.00 0.00 N ATOM 1003 CA ALA E 56 118.272 13.200 -12.226 1.00 0.00 C ATOM 1004 C ALA E 56 117.754 14.639 -12.271 1.00 0.00 C ATOM 1005 O ALA E 56 117.029 15.028 -13.191 1.00 0.00 O ATOM 1006 CB ALA E 56 119.728 13.147 -12.695 1.00 0.00 C ATOM 0 H ALA E 56 118.028 11.806 -13.744 1.00 0.00 H new ATOM 0 HA ALA E 56 118.198 12.865 -11.192 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.333 13.812 -12.079 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.102 12.127 -12.605 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.787 13.464 -13.736 1.00 0.00 H new TER 1012 ALA E 56 ATOM 1013 N GLY F 14 119.581 10.756 8.657 1.00 0.00 N ATOM 1014 CA GLY F 14 119.098 10.210 9.927 1.00 0.00 C ATOM 1015 C GLY F 14 119.376 8.720 10.030 1.00 0.00 C ATOM 1016 O GLY F 14 120.337 8.211 9.444 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.580 10.730 10.755 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.027 10.389 10.018 1.00 0.00 H new ATOM 1020 N GLU F 15 118.520 8.030 10.784 1.00 0.00 N ATOM 1021 CA GLU F 15 118.652 6.594 10.975 1.00 0.00 C ATOM 1022 C GLU F 15 118.489 5.879 9.654 1.00 0.00 C ATOM 1023 O GLU F 15 117.665 6.271 8.832 1.00 0.00 O ATOM 1024 CB GLU F 15 117.569 6.085 11.920 1.00 0.00 C ATOM 1025 CG GLU F 15 117.877 4.634 12.315 1.00 0.00 C ATOM 1026 CD GLU F 15 116.807 4.044 13.258 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.868 4.746 13.615 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.946 2.882 13.611 1.00 0.00 O ATOM 0 H GLU F 15 117.727 8.448 11.272 1.00 0.00 H new ATOM 0 HA GLU F 15 119.639 6.398 11.394 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.522 6.713 12.809 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.593 6.143 11.437 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.943 4.021 11.416 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.851 4.591 12.802 1.00 0.00 H new ATOM 1035 N ILE F 16 119.256 4.818 9.472 1.00 0.00 N ATOM 1036 CA ILE F 16 119.177 4.032 8.254 1.00 0.00 C ATOM 1037 C ILE F 16 118.671 2.628 8.574 1.00 0.00 C ATOM 1038 O ILE F 16 119.028 2.039 9.599 1.00 0.00 O ATOM 1039 CB ILE F 16 120.544 3.972 7.582 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.027 5.401 7.250 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.430 3.145 6.290 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.419 5.370 6.595 1.00 0.00 C ATOM 0 H ILE F 16 119.939 4.482 10.151 1.00 0.00 H new ATOM 0 HA ILE F 16 118.476 4.505 7.566 1.00 0.00 H new ATOM 0 HB ILE F 16 121.264 3.505 8.254 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.316 5.883 6.580 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.062 5.998 8.161 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.403 3.096 5.802 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.095 2.136 6.532 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.711 3.615 5.619 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.738 6.388 6.370 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.132 4.909 7.278 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.374 4.792 5.672 1.00 0.00 H new ATOM 1054 N VAL F 17 117.818 2.123 7.687 1.00 0.00 N ATOM 1055 CA VAL F 17 117.207 0.805 7.838 1.00 0.00 C ATOM 1056 C VAL F 17 117.623 -0.118 6.694 1.00 0.00 C ATOM 1057 O VAL F 17 117.290 0.147 5.542 1.00 0.00 O ATOM 1058 CB VAL F 17 115.681 1.009 7.830 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.940 -0.311 7.556 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.240 1.579 9.185 1.00 0.00 C ATOM 0 H VAL F 17 117.530 2.617 6.842 1.00 0.00 H new ATOM 0 HA VAL F 17 117.533 0.338 8.768 1.00 0.00 H new ATOM 0 HB VAL F 17 115.431 1.706 7.030 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.865 -0.132 7.557 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.242 -0.703 6.585 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.188 -1.035 8.332 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.160 1.725 9.184 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.511 0.883 9.978 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.735 2.535 9.356 1.00 0.00 H new ATOM 1070 N TYR F 18 118.319 -1.214 7.028 1.00 0.00 N ATOM 1071 CA TYR F 18 118.754 -2.193 6.023 1.00 0.00 C ATOM 1072 C TYR F 18 117.741 -3.325 5.945 1.00 0.00 C ATOM 1073 O TYR F 18 117.275 -3.824 6.975 1.00 0.00 O ATOM 1074 CB TYR F 18 120.155 -2.741 6.375 1.00 0.00 C ATOM 1075 CG TYR F 18 121.225 -1.906 5.690 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.101 -0.512 5.645 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.330 -2.524 5.083 1.00 0.00 C ATOM 1078 CE1 TYR F 18 122.066 0.259 5.000 1.00 0.00 C ATOM 1079 CE2 TYR F 18 123.298 -1.747 4.435 1.00 0.00 C ATOM 1080 CZ TYR F 18 123.165 -0.356 4.392 1.00 0.00 C ATOM 1081 OH TYR F 18 124.117 0.411 3.753 1.00 0.00 O ATOM 0 H TYR F 18 118.592 -1.444 7.984 1.00 0.00 H new ATOM 0 HA TYR F 18 118.816 -1.704 5.051 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.302 -2.721 7.455 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.237 -3.782 6.061 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.254 -0.032 6.112 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.433 -3.599 5.116 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.965 1.334 4.970 1.00 0.00 H new ATOM 0 HE2 TYR F 18 124.148 -2.223 3.968 1.00 0.00 H new ATOM 0 HH TYR F 18 123.772 0.702 2.883 1.00 0.00 H new ATOM 1091 N LEU F 19 117.371 -3.689 4.711 1.00 0.00 N ATOM 1092 CA LEU F 19 116.362 -4.732 4.484 1.00 0.00 C ATOM 1093 C LEU F 19 116.919 -5.878 3.613 1.00 0.00 C ATOM 1094 O LEU F 19 116.622 -5.961 2.416 1.00 0.00 O ATOM 1095 CB LEU F 19 115.123 -4.093 3.816 1.00 0.00 C ATOM 1096 CG LEU F 19 114.706 -2.800 4.565 1.00 0.00 C ATOM 1097 CD1 LEU F 19 114.147 -1.775 3.572 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.643 -3.128 5.624 1.00 0.00 C ATOM 0 H LEU F 19 117.753 -3.280 3.858 1.00 0.00 H new ATOM 0 HA LEU F 19 116.081 -5.166 5.444 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.344 -3.861 2.774 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.296 -4.803 3.816 1.00 0.00 H new ATOM 0 HG LEU F 19 115.583 -2.379 5.056 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.857 -0.871 4.107 1.00 0.00 H new ATOM 0 HD12 LEU F 19 114.910 -1.530 2.833 1.00 0.00 H new ATOM 0 HD13 LEU F 19 113.276 -2.194 3.069 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.355 -2.215 6.146 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.768 -3.560 5.139 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.051 -3.842 6.340 1.00 0.00 H new ATOM 1110 N PRO F 20 117.723 -6.759 4.190 1.00 0.00 N ATOM 1111 CA PRO F 20 118.328 -7.915 3.457 1.00 0.00 C ATOM 1112 C PRO F 20 117.398 -9.133 3.369 1.00 0.00 C ATOM 1113 O PRO F 20 117.216 -9.704 2.290 1.00 0.00 O ATOM 1114 CB PRO F 20 119.562 -8.240 4.299 1.00 0.00 C ATOM 1115 CG PRO F 20 119.172 -7.891 5.699 1.00 0.00 C ATOM 1116 CD PRO F 20 118.152 -6.751 5.605 1.00 0.00 C ATOM 0 HA PRO F 20 118.543 -7.668 2.417 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.832 -9.293 4.214 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.427 -7.662 3.973 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.741 -8.754 6.207 1.00 0.00 H new ATOM 0 HG3 PRO F 20 120.043 -7.583 6.277 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.309 -6.915 6.277 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.598 -5.795 5.880 1.00 0.00 H new ATOM 1124 N ASN F 21 116.838 -9.536 4.516 1.00 0.00 N ATOM 1125 CA ASN F 21 115.952 -10.711 4.582 1.00 0.00 C ATOM 1126 C ASN F 21 114.505 -10.375 4.191 1.00 0.00 C ATOM 1127 O ASN F 21 113.622 -11.235 4.278 1.00 0.00 O ATOM 1128 CB ASN F 21 115.978 -11.297 6.004 1.00 0.00 C ATOM 1129 CG ASN F 21 117.392 -11.751 6.383 1.00 0.00 C ATOM 1130 OD1 ASN F 21 118.153 -12.220 5.534 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.789 -11.646 7.621 1.00 0.00 N ATOM 0 H ASN F 21 116.981 -9.068 5.411 1.00 0.00 H new ATOM 0 HA ASN F 21 116.324 -11.441 3.863 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.629 -10.549 6.716 1.00 0.00 H new ATOM 0 HB3 ASN F 21 115.292 -12.142 6.066 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.726 -11.951 7.884 1.00 0.00 H new ATOM 0 HD22 ASN F 21 117.162 -11.258 8.326 1.00 0.00 H new ATOM 1138 N LEU F 22 114.268 -9.136 3.756 1.00 0.00 N ATOM 1139 CA LEU F 22 112.925 -8.707 3.350 1.00 0.00 C ATOM 1140 C LEU F 22 112.589 -9.266 1.965 1.00 0.00 C ATOM 1141 O LEU F 22 113.490 -9.504 1.155 1.00 0.00 O ATOM 1142 CB LEU F 22 112.864 -7.176 3.311 1.00 0.00 C ATOM 1143 CG LEU F 22 111.438 -6.678 3.623 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.359 -6.228 5.090 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.096 -5.502 2.691 1.00 0.00 C ATOM 0 H LEU F 22 114.984 -8.414 3.675 1.00 0.00 H new ATOM 0 HA LEU F 22 112.200 -9.084 4.072 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.566 -6.761 4.034 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.172 -6.820 2.328 1.00 0.00 H new ATOM 0 HG LEU F 22 110.723 -7.485 3.462 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.351 -5.876 5.309 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.600 -7.068 5.742 1.00 0.00 H new ATOM 0 HD13 LEU F 22 112.070 -5.420 5.262 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.089 -5.147 2.908 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.808 -4.693 2.850 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.148 -5.833 1.654 1.00 0.00 H new ATOM 1157 N ASN F 23 111.291 -9.462 1.691 1.00 0.00 N ATOM 1158 CA ASN F 23 110.868 -9.979 0.389 1.00 0.00 C ATOM 1159 C ASN F 23 110.793 -8.831 -0.623 1.00 0.00 C ATOM 1160 O ASN F 23 110.436 -7.710 -0.252 1.00 0.00 O ATOM 1161 CB ASN F 23 109.493 -10.655 0.507 1.00 0.00 C ATOM 1162 CG ASN F 23 109.656 -12.130 0.869 1.00 0.00 C ATOM 1163 OD1 ASN F 23 109.282 -13.008 0.092 1.00 0.00 O ATOM 1164 ND2 ASN F 23 110.197 -12.456 2.010 1.00 0.00 N ATOM 0 H ASN F 23 110.530 -9.273 2.344 1.00 0.00 H new ATOM 0 HA ASN F 23 111.596 -10.716 0.049 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.897 -10.151 1.267 1.00 0.00 H new ATOM 0 HB3 ASN F 23 108.953 -10.562 -0.435 1.00 0.00 H new ATOM 0 HD21 ASN F 23 110.310 -13.439 2.258 1.00 0.00 H new ATOM 0 HD22 ASN F 23 110.507 -11.728 2.654 1.00 0.00 H new ATOM 1171 N PRO F 24 111.111 -9.067 -1.881 1.00 0.00 N ATOM 1172 CA PRO F 24 111.049 -7.992 -2.917 1.00 0.00 C ATOM 1173 C PRO F 24 109.647 -7.398 -2.997 1.00 0.00 C ATOM 1174 O PRO F 24 109.480 -6.195 -3.215 1.00 0.00 O ATOM 1175 CB PRO F 24 111.438 -8.690 -4.227 1.00 0.00 C ATOM 1176 CG PRO F 24 112.112 -9.962 -3.824 1.00 0.00 C ATOM 1177 CD PRO F 24 111.558 -10.349 -2.455 1.00 0.00 C ATOM 0 HA PRO F 24 111.713 -7.158 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.559 -8.890 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.105 -8.065 -4.821 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.919 -10.748 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO F 24 113.193 -9.828 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.734 -11.057 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.319 -10.821 -1.834 1.00 0.00 H new ATOM 1185 N ASP F 25 108.644 -8.256 -2.777 1.00 0.00 N ATOM 1186 CA ASP F 25 107.247 -7.824 -2.777 1.00 0.00 C ATOM 1187 C ASP F 25 107.061 -6.763 -1.704 1.00 0.00 C ATOM 1188 O ASP F 25 106.418 -5.731 -1.920 1.00 0.00 O ATOM 1189 CB ASP F 25 106.345 -9.016 -2.452 1.00 0.00 C ATOM 1190 CG ASP F 25 104.875 -8.628 -2.624 1.00 0.00 C ATOM 1191 OD1 ASP F 25 104.395 -8.682 -3.746 1.00 0.00 O ATOM 1192 OD2 ASP F 25 104.252 -8.280 -1.633 1.00 0.00 O ATOM 0 H ASP F 25 108.776 -9.251 -2.597 1.00 0.00 H new ATOM 0 HA ASP F 25 106.987 -7.422 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.587 -9.853 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP F 25 106.524 -9.349 -1.429 1.00 0.00 H new ATOM 1197 N GLN F 26 107.662 -7.043 -0.547 1.00 0.00 N ATOM 1198 CA GLN F 26 107.614 -6.142 0.588 1.00 0.00 C ATOM 1199 C GLN F 26 108.353 -4.838 0.267 1.00 0.00 C ATOM 1200 O GLN F 26 107.925 -3.765 0.697 1.00 0.00 O ATOM 1201 CB GLN F 26 108.210 -6.829 1.821 1.00 0.00 C ATOM 1202 CG GLN F 26 107.325 -8.011 2.244 1.00 0.00 C ATOM 1203 CD GLN F 26 105.939 -7.522 2.672 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.833 -6.614 3.603 1.00 0.00 O flip ATOM 1205 NE2 GLN F 26 104.928 -7.978 2.141 1.00 0.00 N flip ATOM 0 H GLN F 26 108.191 -7.898 -0.378 1.00 0.00 H new ATOM 0 HA GLN F 26 106.576 -5.890 0.803 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.218 -7.180 1.600 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.293 -6.115 2.640 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.229 -8.714 1.417 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.796 -8.549 3.066 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.010 -8.688 1.413 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.007 -7.646 2.428 1.00 0.00 H new ATOM 1214 N LEU F 27 109.452 -4.930 -0.506 1.00 0.00 N ATOM 1215 CA LEU F 27 110.211 -3.729 -0.886 1.00 0.00 C ATOM 1216 C LEU F 27 109.351 -2.813 -1.753 1.00 0.00 C ATOM 1217 O LEU F 27 109.338 -1.601 -1.551 1.00 0.00 O ATOM 1218 CB LEU F 27 111.497 -4.088 -1.657 1.00 0.00 C ATOM 1219 CG LEU F 27 112.584 -4.615 -0.703 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.791 -5.102 -1.519 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.039 -3.493 0.250 1.00 0.00 C ATOM 0 H LEU F 27 109.826 -5.805 -0.872 1.00 0.00 H new ATOM 0 HA LEU F 27 110.490 -3.218 0.035 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.274 -4.842 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.866 -3.209 -2.184 1.00 0.00 H new ATOM 0 HG LEU F 27 112.174 -5.440 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.560 -5.475 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.478 -5.902 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.192 -4.275 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.808 -3.875 0.921 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.444 -2.664 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.188 -3.145 0.835 1.00 0.00 H new ATOM 1233 N CYS F 28 108.630 -3.399 -2.714 1.00 0.00 N ATOM 1234 CA CYS F 28 107.766 -2.612 -3.601 1.00 0.00 C ATOM 1235 C CYS F 28 106.687 -1.902 -2.785 1.00 0.00 C ATOM 1236 O CYS F 28 106.463 -0.700 -2.949 1.00 0.00 O ATOM 1237 CB CYS F 28 107.123 -3.521 -4.657 1.00 0.00 C ATOM 1238 SG CYS F 28 106.401 -2.506 -5.973 1.00 0.00 S ATOM 0 H CYS F 28 108.626 -4.402 -2.897 1.00 0.00 H new ATOM 0 HA CYS F 28 108.372 -1.862 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.870 -4.197 -5.073 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.353 -4.141 -4.198 1.00 0.00 H new ATOM 1243 N ALA F 29 106.043 -2.655 -1.891 1.00 0.00 N ATOM 1244 CA ALA F 29 105.005 -2.097 -1.025 1.00 0.00 C ATOM 1245 C ALA F 29 105.612 -1.039 -0.103 1.00 0.00 C ATOM 1246 O ALA F 29 105.003 0.005 0.150 1.00 0.00 O ATOM 1247 CB ALA F 29 104.379 -3.215 -0.182 1.00 0.00 C ATOM 0 H ALA F 29 106.222 -3.649 -1.749 1.00 0.00 H new ATOM 0 HA ALA F 29 104.235 -1.636 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.606 -2.796 0.462 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.937 -3.963 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.149 -3.682 0.432 1.00 0.00 H new ATOM 1253 N PHE F 30 106.818 -1.330 0.389 1.00 0.00 N ATOM 1254 CA PHE F 30 107.532 -0.425 1.287 1.00 0.00 C ATOM 1255 C PHE F 30 107.845 0.898 0.586 1.00 0.00 C ATOM 1256 O PHE F 30 107.489 1.968 1.085 1.00 0.00 O ATOM 1257 CB PHE F 30 108.835 -1.117 1.745 1.00 0.00 C ATOM 1258 CG PHE F 30 109.737 -0.164 2.513 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.250 0.517 3.639 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.071 0.029 2.101 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.085 1.386 4.346 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.900 0.898 2.814 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.407 1.576 3.936 1.00 0.00 C ATOM 0 H PHE F 30 107.322 -2.191 0.178 1.00 0.00 H new ATOM 0 HA PHE F 30 106.909 -0.199 2.152 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.591 -1.973 2.374 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.368 -1.502 0.875 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.229 0.369 3.959 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.451 -0.494 1.236 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.708 1.912 5.211 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.922 1.047 2.500 1.00 0.00 H new ATOM 0 HZ PHE F 30 112.050 2.247 4.486 1.00 0.00 H new ATOM 1273 N ILE F 31 108.500 0.809 -0.575 1.00 0.00 N ATOM 1274 CA ILE F 31 108.864 2.000 -1.346 1.00 0.00 C ATOM 1275 C ILE F 31 107.625 2.812 -1.713 1.00 0.00 C ATOM 1276 O ILE F 31 107.647 4.046 -1.657 1.00 0.00 O ATOM 1277 CB ILE F 31 109.655 1.595 -2.605 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.979 0.939 -2.169 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.962 2.837 -3.461 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.705 0.343 -3.376 1.00 0.00 C ATOM 0 H ILE F 31 108.788 -0.072 -1.000 1.00 0.00 H new ATOM 0 HA ILE F 31 109.501 2.633 -0.728 1.00 0.00 H new ATOM 0 HB ILE F 31 109.063 0.896 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.615 1.679 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.780 0.158 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.521 2.539 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.028 3.310 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.555 3.543 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.638 -0.116 -3.049 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.073 -0.412 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.922 1.132 -4.096 1.00 0.00 H new ATOM 1292 N HIS F 32 106.539 2.114 -2.064 1.00 0.00 N ATOM 1293 CA HIS F 32 105.279 2.777 -2.413 1.00 0.00 C ATOM 1294 C HIS F 32 104.768 3.580 -1.213 1.00 0.00 C ATOM 1295 O HIS F 32 104.278 4.702 -1.366 1.00 0.00 O ATOM 1296 CB HIS F 32 104.234 1.728 -2.826 1.00 0.00 C ATOM 1297 CG HIS F 32 103.098 2.389 -3.564 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.197 3.241 -2.942 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.697 2.317 -4.877 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.308 3.639 -3.871 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.568 3.106 -5.067 1.00 0.00 N ATOM 0 H HIS F 32 106.508 1.096 -2.114 1.00 0.00 H new ATOM 0 HA HIS F 32 105.450 3.455 -3.249 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.698 0.972 -3.459 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.854 1.215 -1.943 1.00 0.00 H new ATOM 0 HD1 HIS F 32 102.206 3.516 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS F 32 103.185 1.735 -5.645 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.484 4.309 -3.673 1.00 0.00 H new ATOM 1310 N SER F 33 104.907 2.988 -0.018 1.00 0.00 N ATOM 1311 CA SER F 33 104.477 3.638 1.220 1.00 0.00 C ATOM 1312 C SER F 33 105.312 4.894 1.504 1.00 0.00 C ATOM 1313 O SER F 33 104.765 5.909 1.946 1.00 0.00 O ATOM 1314 CB SER F 33 104.583 2.661 2.397 1.00 0.00 C ATOM 1315 OG SER F 33 103.846 1.482 2.100 1.00 0.00 O ATOM 0 H SER F 33 105.314 2.062 0.113 1.00 0.00 H new ATOM 0 HA SER F 33 103.437 3.940 1.098 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.628 2.413 2.585 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.198 3.125 3.305 1.00 0.00 H new ATOM 0 HG SER F 33 104.317 0.966 1.413 1.00 0.00 H new ATOM 1321 N LEU F 34 106.635 4.828 1.242 1.00 0.00 N ATOM 1322 CA LEU F 34 107.520 5.987 1.474 1.00 0.00 C ATOM 1323 C LEU F 34 107.043 7.190 0.649 1.00 0.00 C ATOM 1324 O LEU F 34 107.066 8.330 1.119 1.00 0.00 O ATOM 1325 CB LEU F 34 108.982 5.673 1.068 1.00 0.00 C ATOM 1326 CG LEU F 34 109.528 4.438 1.805 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.940 4.107 1.283 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.587 4.715 3.313 1.00 0.00 C ATOM 0 H LEU F 34 107.106 4.000 0.877 1.00 0.00 H new ATOM 0 HA LEU F 34 107.483 6.214 2.539 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.032 5.506 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.613 6.535 1.286 1.00 0.00 H new ATOM 0 HG LEU F 34 108.867 3.591 1.623 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.325 3.232 1.806 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.893 3.899 0.214 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.601 4.955 1.459 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.974 3.837 3.829 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.242 5.565 3.501 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.586 4.940 3.681 1.00 0.00 H new ATOM 1340 N HIS F 35 106.625 6.908 -0.590 1.00 0.00 N ATOM 1341 CA HIS F 35 106.151 7.943 -1.514 1.00 0.00 C ATOM 1342 C HIS F 35 104.761 8.471 -1.129 1.00 0.00 C ATOM 1343 O HIS F 35 104.494 9.668 -1.266 1.00 0.00 O ATOM 1344 CB HIS F 35 106.112 7.368 -2.939 1.00 0.00 C ATOM 1345 CG HIS F 35 105.826 8.465 -3.933 1.00 0.00 C ATOM 1346 ND1 HIS F 35 104.547 8.958 -4.144 1.00 0.00 N ATOM 1347 CD2 HIS F 35 106.643 9.172 -4.781 1.00 0.00 C ATOM 1348 CE1 HIS F 35 104.631 9.917 -5.084 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.886 10.088 -5.506 1.00 0.00 N ATOM 0 H HIS F 35 106.606 5.965 -0.977 1.00 0.00 H new ATOM 0 HA HIS F 35 106.844 8.783 -1.461 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.065 6.893 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.345 6.596 -3.007 1.00 0.00 H new ATOM 0 HD2 HIS F 35 107.711 9.038 -4.872 1.00 0.00 H new ATOM 0 HE1 HIS F 35 103.786 10.480 -5.452 1.00 0.00 H new ATOM 0 HE2 HIS F 35 106.219 10.748 -6.209 1.00 0.00 H new ATOM 1358 N ASP F 36 103.873 7.570 -0.685 1.00 0.00 N ATOM 1359 CA ASP F 36 102.502 7.955 -0.322 1.00 0.00 C ATOM 1360 C ASP F 36 102.482 9.057 0.738 1.00 0.00 C ATOM 1361 O ASP F 36 101.691 9.999 0.639 1.00 0.00 O ATOM 1362 CB ASP F 36 101.729 6.731 0.206 1.00 0.00 C ATOM 1363 CG ASP F 36 101.547 5.658 -0.883 1.00 0.00 C ATOM 1364 OD1 ASP F 36 101.490 6.007 -2.054 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.453 4.495 -0.524 1.00 0.00 O ATOM 0 H ASP F 36 104.077 6.577 -0.569 1.00 0.00 H new ATOM 0 HA ASP F 36 102.024 8.339 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.263 6.302 1.054 1.00 0.00 H new ATOM 0 HB3 ASP F 36 100.752 7.048 0.571 1.00 0.00 H new ATOM 1370 N ASP F 37 103.347 8.929 1.748 1.00 0.00 N ATOM 1371 CA ASP F 37 103.418 9.915 2.830 1.00 0.00 C ATOM 1372 C ASP F 37 104.851 10.005 3.382 1.00 0.00 C ATOM 1373 O ASP F 37 105.284 9.114 4.119 1.00 0.00 O ATOM 1374 CB ASP F 37 102.450 9.519 3.956 1.00 0.00 C ATOM 1375 CG ASP F 37 101.004 9.629 3.472 1.00 0.00 C ATOM 1376 OD1 ASP F 37 100.465 10.725 3.519 1.00 0.00 O ATOM 1377 OD2 ASP F 37 100.456 8.619 3.059 1.00 0.00 O ATOM 0 H ASP F 37 104.006 8.155 1.839 1.00 0.00 H new ATOM 0 HA ASP F 37 103.135 10.891 2.435 1.00 0.00 H new ATOM 0 HB2 ASP F 37 102.656 8.499 4.281 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.602 10.165 4.820 1.00 0.00 H new ATOM 1382 N PRO F 38 105.593 11.048 3.039 1.00 0.00 N ATOM 1383 CA PRO F 38 107.000 11.225 3.525 1.00 0.00 C ATOM 1384 C PRO F 38 107.102 11.138 5.050 1.00 0.00 C ATOM 1385 O PRO F 38 108.061 10.579 5.580 1.00 0.00 O ATOM 1386 CB PRO F 38 107.396 12.623 3.028 1.00 0.00 C ATOM 1387 CG PRO F 38 106.488 12.909 1.878 1.00 0.00 C ATOM 1388 CD PRO F 38 105.184 12.162 2.157 1.00 0.00 C ATOM 0 HA PRO F 38 107.657 10.439 3.153 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.278 13.367 3.815 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.441 12.648 2.719 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.309 13.980 1.783 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.933 12.576 0.940 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.450 12.806 2.642 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.728 11.796 1.237 1.00 0.00 H new ATOM 1396 N SER F 39 106.104 11.690 5.745 1.00 0.00 N ATOM 1397 CA SER F 39 106.086 11.668 7.210 1.00 0.00 C ATOM 1398 C SER F 39 106.057 10.231 7.738 1.00 0.00 C ATOM 1399 O SER F 39 106.714 9.914 8.734 1.00 0.00 O ATOM 1400 CB SER F 39 104.860 12.431 7.727 1.00 0.00 C ATOM 1401 OG SER F 39 104.865 13.750 7.194 1.00 0.00 O ATOM 0 H SER F 39 105.302 12.155 5.320 1.00 0.00 H new ATOM 0 HA SER F 39 106.996 12.149 7.569 1.00 0.00 H new ATOM 0 HB2 SER F 39 103.946 11.913 7.436 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.873 12.467 8.816 1.00 0.00 H new ATOM 0 HG SER F 39 104.081 14.238 7.522 1.00 0.00 H new ATOM 1407 N GLN F 40 105.287 9.373 7.062 1.00 0.00 N ATOM 1408 CA GLN F 40 105.158 7.966 7.458 1.00 0.00 C ATOM 1409 C GLN F 40 106.444 7.176 7.241 1.00 0.00 C ATOM 1410 O GLN F 40 106.620 6.135 7.863 1.00 0.00 O ATOM 1411 CB GLN F 40 104.024 7.287 6.675 1.00 0.00 C ATOM 1412 CG GLN F 40 102.671 7.788 7.184 1.00 0.00 C ATOM 1413 CD GLN F 40 101.526 7.121 6.418 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.499 5.898 6.272 1.00 0.00 O ATOM 1415 NE2 GLN F 40 100.571 7.856 5.921 1.00 0.00 N ATOM 0 H GLN F 40 104.743 9.628 6.238 1.00 0.00 H new ATOM 0 HA GLN F 40 104.934 7.967 8.525 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.125 7.502 5.611 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.088 6.205 6.789 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.576 7.575 8.249 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.611 8.870 7.068 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.592 8.869 6.041 1.00 0.00 H new ATOM 0 HE22 GLN F 40 99.803 7.418 5.412 1.00 0.00 H new ATOM 1424 N SER F 41 107.315 7.640 6.332 1.00 0.00 N ATOM 1425 CA SER F 41 108.559 6.912 6.019 1.00 0.00 C ATOM 1426 C SER F 41 109.295 6.474 7.287 1.00 0.00 C ATOM 1427 O SER F 41 109.781 5.349 7.367 1.00 0.00 O ATOM 1428 CB SER F 41 109.481 7.791 5.172 1.00 0.00 C ATOM 1429 OG SER F 41 109.984 8.856 5.967 1.00 0.00 O ATOM 0 H SER F 41 107.186 8.504 5.806 1.00 0.00 H new ATOM 0 HA SER F 41 108.284 6.017 5.461 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.305 7.197 4.777 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.936 8.188 4.316 1.00 0.00 H new ATOM 0 HG SER F 41 109.275 9.516 6.116 1.00 0.00 H new ATOM 1435 N ALA F 42 109.352 7.367 8.269 1.00 0.00 N ATOM 1436 CA ALA F 42 110.015 7.075 9.541 1.00 0.00 C ATOM 1437 C ALA F 42 109.345 5.889 10.244 1.00 0.00 C ATOM 1438 O ALA F 42 110.023 4.947 10.662 1.00 0.00 O ATOM 1439 CB ALA F 42 109.966 8.309 10.451 1.00 0.00 C ATOM 0 H ALA F 42 108.947 8.301 8.211 1.00 0.00 H new ATOM 0 HA ALA F 42 111.053 6.816 9.335 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.461 8.084 11.396 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.474 9.141 9.964 1.00 0.00 H new ATOM 0 HB3 ALA F 42 108.927 8.580 10.641 1.00 0.00 H new ATOM 1445 N ASN F 43 108.010 5.932 10.355 1.00 0.00 N ATOM 1446 CA ASN F 43 107.267 4.839 10.993 1.00 0.00 C ATOM 1447 C ASN F 43 107.388 3.569 10.157 1.00 0.00 C ATOM 1448 O ASN F 43 107.591 2.473 10.691 1.00 0.00 O ATOM 1449 CB ASN F 43 105.790 5.216 11.150 1.00 0.00 C ATOM 1450 CG ASN F 43 105.648 6.365 12.142 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.220 7.459 11.774 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.978 6.177 13.389 1.00 0.00 N ATOM 0 H ASN F 43 107.430 6.700 10.017 1.00 0.00 H new ATOM 0 HA ASN F 43 107.692 4.661 11.981 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.375 5.505 10.184 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.221 4.353 11.496 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.882 6.937 14.062 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.332 5.270 13.692 1.00 0.00 H new ATOM 1459 N LEU F 44 107.284 3.739 8.835 1.00 0.00 N ATOM 1460 CA LEU F 44 107.398 2.630 7.891 1.00 0.00 C ATOM 1461 C LEU F 44 108.771 1.988 8.015 1.00 0.00 C ATOM 1462 O LEU F 44 108.910 0.779 7.864 1.00 0.00 O ATOM 1463 CB LEU F 44 107.200 3.139 6.457 1.00 0.00 C ATOM 1464 CG LEU F 44 105.759 3.642 6.262 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.704 4.580 5.048 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.823 2.449 6.028 1.00 0.00 C ATOM 0 H LEU F 44 107.120 4.644 8.394 1.00 0.00 H new ATOM 0 HA LEU F 44 106.630 1.891 8.119 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.905 3.944 6.249 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.412 2.339 5.748 1.00 0.00 H new ATOM 0 HG LEU F 44 105.441 4.181 7.154 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.683 4.936 4.910 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.366 5.430 5.215 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.024 4.040 4.157 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.803 2.808 5.890 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.140 1.907 5.137 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.860 1.783 6.890 1.00 0.00 H new ATOM 1478 N LEU F 45 109.775 2.820 8.302 1.00 0.00 N ATOM 1479 CA LEU F 45 111.142 2.342 8.464 1.00 0.00 C ATOM 1480 C LEU F 45 111.216 1.371 9.640 1.00 0.00 C ATOM 1481 O LEU F 45 111.926 0.371 9.578 1.00 0.00 O ATOM 1482 CB LEU F 45 112.100 3.530 8.703 1.00 0.00 C ATOM 1483 CG LEU F 45 113.072 3.668 7.520 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.338 4.272 6.302 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.254 4.583 7.903 1.00 0.00 C ATOM 0 H LEU F 45 109.663 3.826 8.426 1.00 0.00 H new ATOM 0 HA LEU F 45 111.444 1.826 7.553 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.528 4.450 8.824 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.658 3.378 9.627 1.00 0.00 H new ATOM 0 HG LEU F 45 113.450 2.678 7.266 1.00 0.00 H new ATOM 0 HD11 LEU F 45 113.034 4.367 5.468 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.513 3.620 6.014 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.949 5.256 6.563 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.935 4.672 7.056 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.878 5.570 8.171 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.786 4.154 8.752 1.00 0.00 H new ATOM 1497 N ALA F 46 110.472 1.677 10.708 1.00 0.00 N ATOM 1498 CA ALA F 46 110.460 0.827 11.896 1.00 0.00 C ATOM 1499 C ALA F 46 109.871 -0.547 11.577 1.00 0.00 C ATOM 1500 O ALA F 46 110.492 -1.572 11.864 1.00 0.00 O ATOM 1501 CB ALA F 46 109.645 1.498 13.010 1.00 0.00 C ATOM 0 H ALA F 46 109.875 2.502 10.771 1.00 0.00 H new ATOM 0 HA ALA F 46 111.488 0.691 12.231 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.640 0.859 13.893 1.00 0.00 H new ATOM 0 HB2 ALA F 46 110.094 2.459 13.260 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.621 1.653 12.669 1.00 0.00 H new ATOM 1507 N GLU F 47 108.672 -0.563 10.982 1.00 0.00 N ATOM 1508 CA GLU F 47 108.016 -1.828 10.630 1.00 0.00 C ATOM 1509 C GLU F 47 108.793 -2.548 9.533 1.00 0.00 C ATOM 1510 O GLU F 47 108.951 -3.767 9.578 1.00 0.00 O ATOM 1511 CB GLU F 47 106.592 -1.582 10.135 1.00 0.00 C ATOM 1512 CG GLU F 47 105.724 -0.981 11.252 1.00 0.00 C ATOM 1513 CD GLU F 47 105.497 -2.001 12.370 1.00 0.00 C ATOM 1514 OE1 GLU F 47 104.855 -3.006 12.109 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.951 -1.757 13.477 1.00 0.00 O ATOM 0 H GLU F 47 108.142 0.273 10.737 1.00 0.00 H new ATOM 0 HA GLU F 47 107.989 -2.444 11.529 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.611 -0.907 9.279 1.00 0.00 H new ATOM 0 HB3 GLU F 47 106.154 -2.519 9.792 1.00 0.00 H new ATOM 0 HG2 GLU F 47 106.208 -0.092 11.657 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.765 -0.663 10.843 1.00 0.00 H new ATOM 1522 N ALA F 48 109.287 -1.781 8.546 1.00 0.00 N ATOM 1523 CA ALA F 48 110.064 -2.351 7.434 1.00 0.00 C ATOM 1524 C ALA F 48 111.319 -3.016 7.983 1.00 0.00 C ATOM 1525 O ALA F 48 111.660 -4.143 7.619 1.00 0.00 O ATOM 1526 CB ALA F 48 110.457 -1.249 6.444 1.00 0.00 C ATOM 0 H ALA F 48 109.162 -0.770 8.496 1.00 0.00 H new ATOM 0 HA ALA F 48 109.454 -3.090 6.915 1.00 0.00 H new ATOM 0 HB1 ALA F 48 111.032 -1.683 5.626 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.557 -0.779 6.047 1.00 0.00 H new ATOM 0 HB3 ALA F 48 111.062 -0.500 6.955 1.00 0.00 H new ATOM 1532 N LYS F 49 111.964 -2.321 8.913 1.00 0.00 N ATOM 1533 CA LYS F 49 113.138 -2.853 9.570 1.00 0.00 C ATOM 1534 C LYS F 49 112.731 -4.071 10.410 1.00 0.00 C ATOM 1535 O LYS F 49 113.457 -5.064 10.472 1.00 0.00 O ATOM 1536 CB LYS F 49 113.763 -1.775 10.462 1.00 0.00 C ATOM 1537 CG LYS F 49 115.131 -2.257 10.965 1.00 0.00 C ATOM 1538 CD LYS F 49 115.362 -1.758 12.398 1.00 0.00 C ATOM 1539 CE LYS F 49 115.686 -0.258 12.394 1.00 0.00 C ATOM 1540 NZ LYS F 49 116.017 0.186 13.779 1.00 0.00 N ATOM 0 H LYS F 49 111.689 -1.389 9.224 1.00 0.00 H new ATOM 0 HA LYS F 49 113.874 -3.158 8.827 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.876 -0.846 9.903 1.00 0.00 H new ATOM 0 HB3 LYS F 49 113.108 -1.562 11.306 1.00 0.00 H new ATOM 0 HG2 LYS F 49 115.176 -3.346 10.937 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.920 -1.888 10.310 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.474 -1.944 13.002 1.00 0.00 H new ATOM 0 HD3 LYS F 49 116.181 -2.313 12.856 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.525 -0.059 11.727 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.835 0.307 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.366 1.165 13.755 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 115.164 0.137 14.372 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.751 -0.434 14.176 1.00 0.00 H new ATOM 1554 N LYS F 50 111.547 -3.980 11.044 1.00 0.00 N ATOM 1555 CA LYS F 50 111.033 -5.073 11.870 1.00 0.00 C ATOM 1556 C LYS F 50 110.795 -6.310 11.015 1.00 0.00 C ATOM 1557 O LYS F 50 111.029 -7.428 11.468 1.00 0.00 O ATOM 1558 CB LYS F 50 109.738 -4.633 12.570 1.00 0.00 C ATOM 1559 CG LYS F 50 109.227 -5.737 13.508 1.00 0.00 C ATOM 1560 CD LYS F 50 108.063 -5.205 14.360 1.00 0.00 C ATOM 1561 CE LYS F 50 106.804 -5.069 13.499 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.680 -4.567 14.340 1.00 0.00 N ATOM 0 H LYS F 50 110.937 -3.164 10.997 1.00 0.00 H new ATOM 0 HA LYS F 50 111.770 -5.324 12.633 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.918 -3.720 13.138 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.977 -4.400 11.825 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.898 -6.598 12.925 1.00 0.00 H new ATOM 0 HG3 LYS F 50 110.035 -6.079 14.154 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.872 -5.881 15.193 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.327 -4.238 14.788 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.988 -4.383 12.672 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.543 -6.033 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.977 -4.097 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.233 -5.365 14.834 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 106.045 -3.888 15.038 1.00 0.00 H new ATOM 1576 N LEU F 51 110.351 -6.105 9.768 1.00 0.00 N ATOM 1577 CA LEU F 51 110.120 -7.224 8.853 1.00 0.00 C ATOM 1578 C LEU F 51 111.417 -7.955 8.585 1.00 0.00 C ATOM 1579 O LEU F 51 111.441 -9.178 8.515 1.00 0.00 O ATOM 1580 CB LEU F 51 109.568 -6.738 7.519 1.00 0.00 C ATOM 1581 CG LEU F 51 108.091 -6.379 7.621 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.589 -5.970 6.232 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.287 -7.584 8.144 1.00 0.00 C ATOM 0 H LEU F 51 110.147 -5.186 9.376 1.00 0.00 H new ATOM 0 HA LEU F 51 109.397 -7.888 9.327 1.00 0.00 H new ATOM 0 HB2 LEU F 51 110.133 -5.867 7.186 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.704 -7.513 6.764 1.00 0.00 H new ATOM 0 HG LEU F 51 107.959 -5.552 8.319 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.532 -5.710 6.289 1.00 0.00 H new ATOM 0 HD12 LEU F 51 108.156 -5.109 5.879 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.721 -6.800 5.538 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.233 -7.316 8.213 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.404 -8.424 7.459 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.655 -7.866 9.131 1.00 0.00 H new ATOM 1595 N ASN F 52 112.498 -7.188 8.452 1.00 0.00 N ATOM 1596 CA ASN F 52 113.811 -7.777 8.218 1.00 0.00 C ATOM 1597 C ASN F 52 114.113 -8.757 9.365 1.00 0.00 C ATOM 1598 O ASN F 52 114.688 -9.829 9.155 1.00 0.00 O ATOM 1599 CB ASN F 52 114.879 -6.654 8.099 1.00 0.00 C ATOM 1600 CG ASN F 52 115.996 -6.815 9.130 1.00 0.00 C ATOM 1601 OD1 ASN F 52 117.076 -7.315 8.820 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.778 -6.419 10.343 1.00 0.00 N ATOM 0 H ASN F 52 112.490 -6.169 8.502 1.00 0.00 H new ATOM 0 HA ASN F 52 113.830 -8.331 7.279 1.00 0.00 H new ATOM 0 HB2 ASN F 52 115.307 -6.665 7.096 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.401 -5.683 8.231 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.505 -6.520 11.051 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.879 -6.005 10.591 1.00 0.00 H new ATOM 1609 N ASP F 53 113.676 -8.368 10.572 1.00 0.00 N ATOM 1610 CA ASP F 53 113.845 -9.189 11.770 1.00 0.00 C ATOM 1611 C ASP F 53 112.804 -10.321 11.800 1.00 0.00 C ATOM 1612 O ASP F 53 113.092 -11.432 12.249 1.00 0.00 O ATOM 1613 CB ASP F 53 113.707 -8.312 13.028 1.00 0.00 C ATOM 1614 CG ASP F 53 114.800 -7.234 13.051 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.966 -7.595 13.116 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.455 -6.064 13.001 1.00 0.00 O ATOM 0 H ASP F 53 113.200 -7.482 10.740 1.00 0.00 H new ATOM 0 HA ASP F 53 114.840 -9.635 11.751 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.724 -7.842 13.046 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.780 -8.932 13.921 1.00 0.00 H new ATOM 1621 N ALA F 54 111.591 -10.011 11.327 1.00 0.00 N ATOM 1622 CA ALA F 54 110.484 -10.975 11.295 1.00 0.00 C ATOM 1623 C ALA F 54 110.684 -12.041 10.211 1.00 0.00 C ATOM 1624 O ALA F 54 110.238 -13.182 10.364 1.00 0.00 O ATOM 1625 CB ALA F 54 109.164 -10.235 11.038 1.00 0.00 C ATOM 0 H ALA F 54 111.350 -9.091 10.958 1.00 0.00 H new ATOM 0 HA ALA F 54 110.456 -11.478 12.262 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.343 -10.952 11.015 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.991 -9.512 11.835 1.00 0.00 H new ATOM 0 HB3 ALA F 54 109.219 -9.715 10.082 1.00 0.00 H new ATOM 1631 N GLN F 55 111.340 -11.648 9.116 1.00 0.00 N ATOM 1632 CA GLN F 55 111.593 -12.545 7.981 1.00 0.00 C ATOM 1633 C GLN F 55 112.995 -13.140 8.057 1.00 0.00 C ATOM 1634 O GLN F 55 113.364 -13.988 7.242 1.00 0.00 O ATOM 1635 CB GLN F 55 111.444 -11.768 6.667 1.00 0.00 C ATOM 1636 CG GLN F 55 110.003 -11.258 6.533 1.00 0.00 C ATOM 1637 CD GLN F 55 109.831 -10.459 5.241 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.419 -10.793 4.212 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.053 -9.416 5.235 1.00 0.00 N ATOM 0 H GLN F 55 111.709 -10.706 8.990 1.00 0.00 H new ATOM 0 HA GLN F 55 110.867 -13.357 8.019 1.00 0.00 H new ATOM 0 HB2 GLN F 55 112.141 -10.930 6.647 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.694 -12.410 5.822 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.312 -12.101 6.540 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.752 -10.632 7.390 1.00 0.00 H new ATOM 0 HE21 GLN F 55 108.565 -9.139 6.087 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.931 -8.876 4.378 1.00 0.00 H new ATOM 1648 N ALA F 56 113.766 -12.667 9.034 1.00 0.00 N ATOM 1649 CA ALA F 56 115.132 -13.112 9.235 1.00 0.00 C ATOM 1650 C ALA F 56 115.196 -14.615 9.520 1.00 0.00 C ATOM 1651 O ALA F 56 114.178 -15.247 9.818 1.00 0.00 O ATOM 1652 CB ALA F 56 115.752 -12.331 10.402 1.00 0.00 C ATOM 0 H ALA F 56 113.456 -11.965 9.705 1.00 0.00 H new ATOM 0 HA ALA F 56 115.694 -12.924 8.320 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.779 -12.662 10.557 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.745 -11.266 10.171 1.00 0.00 H new ATOM 0 HB3 ALA F 56 115.173 -12.510 11.308 1.00 0.00 H new TER 1658 ALA F 56