USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 167:sc= 1.03 (180deg=0) USER MOD Set 1.2: B 43 GLN : amide:sc= 0.884 K(o=1.9,f=-2.3) USER MOD Set 2.1: B 40 ASN : amide:sc= 1.68 K(o=2.5,f=-0.14) USER MOD Set 2.2: B 44 ASN : amide:sc= 0.855 K(o=2.5,f=0.91) USER MOD Set 3.1: A 27 SER OG : rot 150:sc= 0.307 USER MOD Set 3.2: B 6 CYS SG : rot 173:sc= -0.0298 USER MOD Set 3.3: B 9 THR OG1 : rot -48:sc= 0.443 USER MOD Set 4.1: A 40 ASN : amide:sc= 0.303 X(o=1.2,f=1) USER MOD Set 4.2: A 44 ASN : amide:sc= 0.892 X(o=1.2,f=1) USER MOD Set 5.1: A 39 GLN : amide:sc= 0.867 K(o=2.5,f=-2.8) USER MOD Set 5.2: A 43 GLN : amide:sc= 0.349 K(o=2.5,f=-1.2) USER MOD Set 5.3: B 28 LYS NZ :NH3+ -165:sc= 1.25 (180deg=0) USER MOD Set 6.1: A 6 CYS SG : rot 171:sc= 0.0802 USER MOD Set 6.2: A 9 THR OG1 : rot -54:sc= 0.756 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0441 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.0805 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.98) USER MOD Single : A 13 SER OG : rot 140:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.144 K(o=0.14,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.922 K(o=0.92,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 3.29 (180deg=1) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -114:sc= 0.0643 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= 0.636 K(o=0.64,f=-0.43) USER MOD Single : B 3 CYS SG : rot 180:sc= 0.0708 USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 176:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : B 13 SER OG : rot -149:sc= 0 USER MOD Single : B 16 ASN : amide:sc= -0.0282 K(o=-0.028,f=-0.63) USER MOD Single : B 18 LYS NZ :NH3+ -151:sc= 0.863 (180deg=0.37) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot 180:sc= 0.133 USER MOD Single : B 33 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 1.26 K(o=1.3,f=-0.17) USER MOD Single : B 41 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 46 LYS NZ :NH3+ -172:sc= 3.26 (180deg=2.98) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.745 21.682 -14.317 1.00 0.00 N ATOM 2 CA MET A 1 -6.514 20.883 -14.072 1.00 0.00 C ATOM 3 C MET A 1 -5.834 21.326 -12.772 1.00 0.00 C ATOM 4 O MET A 1 -5.955 22.485 -12.371 1.00 0.00 O ATOM 5 CB MET A 1 -5.558 20.951 -15.284 1.00 0.00 C ATOM 6 CG MET A 1 -4.356 19.999 -15.190 1.00 0.00 C ATOM 7 SD MET A 1 -4.779 18.259 -14.878 1.00 0.00 S ATOM 8 CE MET A 1 -3.114 17.538 -14.856 1.00 0.00 C ATOM 0 H1 MET A 1 -7.825 21.894 -15.332 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.578 21.140 -14.010 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.694 22.572 -13.781 1.00 0.00 H new ATOM 0 HA MET A 1 -6.797 19.837 -13.951 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.120 20.721 -16.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.192 21.972 -15.387 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.790 20.059 -16.120 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.698 20.346 -14.393 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.184 16.465 -14.675 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.629 17.713 -15.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.527 18.002 -14.063 1.00 0.00 H new ATOM 20 N ASN A 2 -5.125 20.411 -12.103 1.00 0.00 N ATOM 21 CA ASN A 2 -4.420 20.634 -10.832 1.00 0.00 C ATOM 22 C ASN A 2 -3.028 19.969 -10.811 1.00 0.00 C ATOM 23 O ASN A 2 -2.738 19.082 -11.616 1.00 0.00 O ATOM 24 CB ASN A 2 -5.305 20.143 -9.666 1.00 0.00 C ATOM 25 CG ASN A 2 -5.689 18.672 -9.765 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.722 18.315 -10.316 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.887 17.766 -9.250 1.00 0.00 N ATOM 0 H ASN A 2 -5.021 19.455 -12.444 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.241 21.703 -10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.778 20.309 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.213 20.745 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.128 16.777 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.024 18.052 -8.789 1.00 0.00 H new ATOM 34 N CYS A 3 -2.184 20.373 -9.859 1.00 0.00 N ATOM 35 CA CYS A 3 -0.918 19.703 -9.547 1.00 0.00 C ATOM 36 C CYS A 3 -1.132 18.348 -8.844 1.00 0.00 C ATOM 37 O CYS A 3 -2.192 18.094 -8.258 1.00 0.00 O ATOM 38 CB CYS A 3 -0.045 20.648 -8.702 1.00 0.00 C ATOM 39 SG CYS A 3 -0.901 21.152 -7.176 1.00 0.00 S ATOM 0 H CYS A 3 -2.363 21.188 -9.273 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.405 19.477 -10.481 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.892 20.152 -8.449 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.210 21.532 -9.287 1.00 0.00 H new ATOM 0 HG CYS A 3 -0.133 21.946 -6.490 1.00 0.00 H new ATOM 45 N MET A 4 -0.105 17.493 -8.863 1.00 0.00 N ATOM 46 CA MET A 4 -0.046 16.251 -8.084 1.00 0.00 C ATOM 47 C MET A 4 0.943 16.393 -6.922 1.00 0.00 C ATOM 48 O MET A 4 2.128 16.655 -7.120 1.00 0.00 O ATOM 49 CB MET A 4 0.326 15.045 -8.961 1.00 0.00 C ATOM 50 CG MET A 4 -0.870 14.473 -9.735 1.00 0.00 C ATOM 51 SD MET A 4 -1.491 15.500 -11.099 1.00 0.00 S ATOM 52 CE MET A 4 -2.886 14.478 -11.641 1.00 0.00 C ATOM 0 H MET A 4 0.727 17.648 -9.433 1.00 0.00 H new ATOM 0 HA MET A 4 -1.042 16.069 -7.680 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.100 15.342 -9.668 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.752 14.263 -8.332 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.587 13.500 -10.137 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.686 14.303 -9.032 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.387 14.961 -12.480 1.00 0.00 H new ATOM 0 HE2 MET A 4 -2.521 13.499 -11.952 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.591 14.358 -10.818 1.00 0.00 H new ATOM 62 N THR A 5 0.444 16.195 -5.707 1.00 0.00 N ATOM 63 CA THR A 5 1.180 16.152 -4.444 1.00 0.00 C ATOM 64 C THR A 5 0.479 15.223 -3.454 1.00 0.00 C ATOM 65 O THR A 5 -0.725 14.976 -3.571 1.00 0.00 O ATOM 66 CB THR A 5 1.300 17.569 -3.882 1.00 0.00 C ATOM 67 OG1 THR A 5 2.209 17.574 -2.808 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.020 18.189 -3.411 1.00 0.00 C ATOM 0 H THR A 5 -0.556 16.050 -5.566 1.00 0.00 H new ATOM 0 HA THR A 5 2.181 15.757 -4.616 1.00 0.00 H new ATOM 0 HB THR A 5 1.647 18.182 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.287 18.483 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.165 19.193 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.716 18.242 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.449 17.574 -2.620 1.00 0.00 H new ATOM 76 N CYS A 6 1.216 14.692 -2.482 1.00 0.00 N ATOM 77 CA CYS A 6 0.688 13.827 -1.441 1.00 0.00 C ATOM 78 C CYS A 6 -0.376 14.532 -0.590 1.00 0.00 C ATOM 79 O CYS A 6 -0.085 15.529 0.064 1.00 0.00 O ATOM 80 CB CYS A 6 1.855 13.315 -0.594 1.00 0.00 C ATOM 81 SG CYS A 6 1.230 12.084 0.573 1.00 0.00 S ATOM 0 H CYS A 6 2.219 14.857 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 6 0.179 12.980 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.621 12.875 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.323 14.140 -0.058 1.00 0.00 H new ATOM 0 HG CYS A 6 2.230 11.501 1.165 1.00 0.00 H new ATOM 87 N GLN A 7 -1.594 13.991 -0.522 1.00 0.00 N ATOM 88 CA GLN A 7 -2.643 14.555 0.343 1.00 0.00 C ATOM 89 C GLN A 7 -2.445 14.204 1.838 1.00 0.00 C ATOM 90 O GLN A 7 -2.970 14.895 2.712 1.00 0.00 O ATOM 91 CB GLN A 7 -4.005 14.157 -0.245 1.00 0.00 C ATOM 92 CG GLN A 7 -5.225 14.748 0.490 1.00 0.00 C ATOM 93 CD GLN A 7 -5.730 13.926 1.682 1.00 0.00 C ATOM 94 OE1 GLN A 7 -5.314 12.806 1.951 1.00 0.00 O ATOM 95 NE2 GLN A 7 -6.676 14.445 2.437 1.00 0.00 N ATOM 0 H GLN A 7 -1.882 13.168 -1.051 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.585 15.643 0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.040 14.471 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.085 13.070 -0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.968 15.748 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.040 14.861 -0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.038 15.376 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.046 13.916 3.226 1.00 0.00 H new ATOM 104 N VAL A 8 -1.636 13.178 2.142 1.00 0.00 N ATOM 105 CA VAL A 8 -1.363 12.677 3.508 1.00 0.00 C ATOM 106 C VAL A 8 -0.104 13.303 4.143 1.00 0.00 C ATOM 107 O VAL A 8 0.002 13.366 5.368 1.00 0.00 O ATOM 108 CB VAL A 8 -1.292 11.132 3.472 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.980 10.484 4.824 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.626 10.538 2.992 1.00 0.00 C ATOM 0 H VAL A 8 -1.135 12.654 1.425 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.184 12.985 4.155 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.473 10.914 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.949 9.400 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.014 10.839 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.755 10.751 5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.555 9.450 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.423 10.838 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.847 10.904 1.989 1.00 0.00 H new ATOM 120 N THR A 9 0.831 13.808 3.326 1.00 0.00 N ATOM 121 CA THR A 9 2.127 14.375 3.779 1.00 0.00 C ATOM 122 C THR A 9 2.457 15.736 3.161 1.00 0.00 C ATOM 123 O THR A 9 3.044 16.592 3.827 1.00 0.00 O ATOM 124 CB THR A 9 3.308 13.424 3.515 1.00 0.00 C ATOM 125 OG1 THR A 9 3.598 13.347 2.135 1.00 0.00 O ATOM 126 CG2 THR A 9 3.047 11.998 3.998 1.00 0.00 C ATOM 0 H THR A 9 0.714 13.838 2.313 1.00 0.00 H new ATOM 0 HA THR A 9 1.992 14.510 4.852 1.00 0.00 H new ATOM 0 HB THR A 9 4.144 13.846 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.788 13.096 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.916 11.376 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.863 12.006 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.176 11.593 3.483 1.00 0.00 H new ATOM 134 N GLY A 10 2.063 15.945 1.903 1.00 0.00 N ATOM 135 CA GLY A 10 2.334 17.175 1.140 1.00 0.00 C ATOM 136 C GLY A 10 3.587 17.115 0.256 1.00 0.00 C ATOM 137 O GLY A 10 3.986 18.134 -0.310 1.00 0.00 O ATOM 0 H GLY A 10 1.536 15.252 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.471 17.394 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.438 18.005 1.839 1.00 0.00 H new ATOM 141 N GLU A 11 4.222 15.945 0.137 1.00 0.00 N ATOM 142 CA GLU A 11 5.363 15.709 -0.758 1.00 0.00 C ATOM 143 C GLU A 11 4.938 15.386 -2.195 1.00 0.00 C ATOM 144 O GLU A 11 3.958 14.687 -2.430 1.00 0.00 O ATOM 145 CB GLU A 11 6.243 14.581 -0.202 1.00 0.00 C ATOM 146 CG GLU A 11 7.093 15.057 0.973 1.00 0.00 C ATOM 147 CD GLU A 11 8.318 15.876 0.518 1.00 0.00 C ATOM 148 OE1 GLU A 11 8.211 17.119 0.385 1.00 0.00 O ATOM 149 OE2 GLU A 11 9.400 15.282 0.291 1.00 0.00 O ATOM 0 H GLU A 11 3.953 15.118 0.670 1.00 0.00 H new ATOM 0 HA GLU A 11 5.932 16.638 -0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.613 13.751 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.892 14.203 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.480 15.664 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.429 14.194 1.548 1.00 0.00 H new ATOM 156 N VAL A 12 5.723 15.845 -3.162 1.00 0.00 N ATOM 157 CA VAL A 12 5.519 15.606 -4.604 1.00 0.00 C ATOM 158 C VAL A 12 6.646 14.756 -5.203 1.00 0.00 C ATOM 159 O VAL A 12 7.826 15.031 -4.975 1.00 0.00 O ATOM 160 CB VAL A 12 5.290 16.932 -5.368 1.00 0.00 C ATOM 161 CG1 VAL A 12 6.317 18.030 -5.047 1.00 0.00 C ATOM 162 CG2 VAL A 12 5.286 16.733 -6.889 1.00 0.00 C ATOM 0 H VAL A 12 6.548 16.413 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 12 4.606 15.021 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 12 4.311 17.260 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.085 18.925 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.279 18.264 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.316 17.681 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.122 17.692 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.245 16.323 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.488 16.043 -7.164 1.00 0.00 H new ATOM 172 N SER A 13 6.284 13.751 -6.011 1.00 0.00 N ATOM 173 CA SER A 13 7.213 13.040 -6.901 1.00 0.00 C ATOM 174 C SER A 13 6.585 12.760 -8.270 1.00 0.00 C ATOM 175 O SER A 13 5.405 12.418 -8.359 1.00 0.00 O ATOM 176 CB SER A 13 7.652 11.726 -6.256 1.00 0.00 C ATOM 177 OG SER A 13 8.570 11.055 -7.099 1.00 0.00 O ATOM 0 H SER A 13 5.326 13.404 -6.066 1.00 0.00 H new ATOM 0 HA SER A 13 8.080 13.682 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.112 11.923 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.784 11.093 -6.074 1.00 0.00 H new ATOM 0 HG SER A 13 9.282 10.657 -6.556 1.00 0.00 H new ATOM 183 N ASP A 14 7.381 12.858 -9.339 1.00 0.00 N ATOM 184 CA ASP A 14 6.957 12.594 -10.724 1.00 0.00 C ATOM 185 C ASP A 14 6.577 11.118 -10.974 1.00 0.00 C ATOM 186 O ASP A 14 5.831 10.807 -11.906 1.00 0.00 O ATOM 187 CB ASP A 14 8.082 13.046 -11.666 1.00 0.00 C ATOM 188 CG ASP A 14 7.679 12.968 -13.150 1.00 0.00 C ATOM 189 OD1 ASP A 14 6.745 13.698 -13.562 1.00 0.00 O ATOM 190 OD2 ASP A 14 8.324 12.214 -13.918 1.00 0.00 O ATOM 0 H ASP A 14 8.362 13.129 -9.267 1.00 0.00 H new ATOM 0 HA ASP A 14 6.046 13.161 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.364 14.070 -11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.962 12.425 -11.499 1.00 0.00 H new ATOM 195 N ASP A 15 7.020 10.203 -10.109 1.00 0.00 N ATOM 196 CA ASP A 15 6.649 8.787 -10.128 1.00 0.00 C ATOM 197 C ASP A 15 5.282 8.486 -9.480 1.00 0.00 C ATOM 198 O ASP A 15 4.797 7.361 -9.606 1.00 0.00 O ATOM 199 CB ASP A 15 7.777 7.970 -9.498 1.00 0.00 C ATOM 200 CG ASP A 15 9.137 8.285 -10.138 1.00 0.00 C ATOM 201 OD1 ASP A 15 9.442 7.735 -11.222 1.00 0.00 O ATOM 202 OD2 ASP A 15 9.904 9.090 -9.562 1.00 0.00 O ATOM 0 H ASP A 15 7.666 10.434 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 15 6.519 8.494 -11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.822 8.177 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.561 6.907 -9.608 1.00 0.00 H new ATOM 207 N ASN A 16 4.654 9.486 -8.836 1.00 0.00 N ATOM 208 CA ASN A 16 3.248 9.520 -8.399 1.00 0.00 C ATOM 209 C ASN A 16 2.717 8.185 -7.830 1.00 0.00 C ATOM 210 O ASN A 16 1.995 7.451 -8.515 1.00 0.00 O ATOM 211 CB ASN A 16 2.382 10.033 -9.569 1.00 0.00 C ATOM 212 CG ASN A 16 2.607 11.499 -9.890 1.00 0.00 C ATOM 213 OD1 ASN A 16 2.101 12.375 -9.211 1.00 0.00 O ATOM 214 ND2 ASN A 16 3.322 11.833 -10.939 1.00 0.00 N ATOM 0 H ASN A 16 5.146 10.345 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 16 3.186 10.204 -7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.595 9.438 -10.457 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.330 9.879 -9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.449 12.817 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.751 11.109 -11.515 1.00 0.00 H new ATOM 221 N LEU A 17 3.019 7.882 -6.561 1.00 0.00 N ATOM 222 CA LEU A 17 2.412 6.760 -5.837 1.00 0.00 C ATOM 223 C LEU A 17 0.923 7.043 -5.584 1.00 0.00 C ATOM 224 O LEU A 17 0.489 8.196 -5.587 1.00 0.00 O ATOM 225 CB LEU A 17 3.198 6.452 -4.535 1.00 0.00 C ATOM 226 CG LEU A 17 4.728 6.369 -4.696 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.406 6.008 -3.374 1.00 0.00 C ATOM 228 CD2 LEU A 17 5.138 5.369 -5.777 1.00 0.00 C ATOM 0 H LEU A 17 3.693 8.410 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 17 2.470 5.860 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.967 7.223 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.840 5.506 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 17 5.061 7.359 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.485 5.957 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.177 6.769 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.041 5.040 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.225 5.344 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.770 4.377 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.712 5.672 -6.733 1.00 0.00 H new ATOM 240 N LYS A 18 0.108 5.997 -5.427 1.00 0.00 N ATOM 241 CA LYS A 18 -1.361 6.131 -5.367 1.00 0.00 C ATOM 242 C LYS A 18 -2.031 5.201 -4.345 1.00 0.00 C ATOM 243 O LYS A 18 -1.506 4.133 -4.028 1.00 0.00 O ATOM 244 CB LYS A 18 -1.994 5.978 -6.763 1.00 0.00 C ATOM 245 CG LYS A 18 -1.423 6.914 -7.838 1.00 0.00 C ATOM 246 CD LYS A 18 -2.219 6.827 -9.147 1.00 0.00 C ATOM 247 CE LYS A 18 -1.572 7.729 -10.206 1.00 0.00 C ATOM 248 NZ LYS A 18 -2.291 7.651 -11.505 1.00 0.00 N ATOM 0 H LYS A 18 0.439 5.036 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.549 7.143 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.865 4.947 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.067 6.154 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.437 7.940 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.381 6.657 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.245 5.796 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.252 7.132 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.568 8.760 -9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.532 7.437 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.826 8.273 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.273 6.671 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.277 7.954 -11.375 1.00 0.00 H new ATOM 262 N LEU A 19 -3.188 5.624 -3.823 1.00 0.00 N ATOM 263 CA LEU A 19 -3.909 4.980 -2.717 1.00 0.00 C ATOM 264 C LEU A 19 -4.546 3.631 -3.097 1.00 0.00 C ATOM 265 O LEU A 19 -4.801 3.339 -4.266 1.00 0.00 O ATOM 266 CB LEU A 19 -4.877 6.022 -2.111 1.00 0.00 C ATOM 267 CG LEU A 19 -5.412 5.731 -0.689 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.510 7.027 0.115 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.816 5.123 -0.711 1.00 0.00 C ATOM 0 H LEU A 19 -3.666 6.455 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.207 4.678 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.370 6.987 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.731 6.123 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.711 5.027 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.888 6.808 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.523 7.483 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.189 7.716 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.148 4.937 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.505 5.815 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.797 4.184 -1.263 1.00 0.00 H new ATOM 281 N ALA A 20 -4.790 2.789 -2.095 1.00 0.00 N ATOM 282 CA ALA A 20 -5.161 1.384 -2.284 1.00 0.00 C ATOM 283 C ALA A 20 -6.598 1.204 -2.823 1.00 0.00 C ATOM 284 O ALA A 20 -7.537 1.822 -2.319 1.00 0.00 O ATOM 285 CB ALA A 20 -4.931 0.628 -0.970 1.00 0.00 C ATOM 0 H ALA A 20 -4.735 3.065 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.521 0.960 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.204 -0.419 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.880 0.697 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.545 1.068 -0.185 1.00 0.00 H new ATOM 291 N GLY A 21 -6.776 0.357 -3.847 1.00 0.00 N ATOM 292 CA GLY A 21 -8.072 0.124 -4.509 1.00 0.00 C ATOM 293 C GLY A 21 -8.796 -1.113 -3.969 1.00 0.00 C ATOM 294 O GLY A 21 -9.953 -1.038 -3.552 1.00 0.00 O ATOM 0 H GLY A 21 -6.015 -0.194 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.707 1.000 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.912 0.008 -5.581 1.00 0.00 H new ATOM 298 N GLY A 22 -8.075 -2.237 -3.941 1.00 0.00 N ATOM 299 CA GLY A 22 -8.486 -3.522 -3.374 1.00 0.00 C ATOM 300 C GLY A 22 -8.656 -4.636 -4.413 1.00 0.00 C ATOM 301 O GLY A 22 -9.714 -5.265 -4.461 1.00 0.00 O ATOM 0 H GLY A 22 -7.135 -2.276 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.746 -3.836 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.428 -3.388 -2.842 1.00 0.00 H new ATOM 305 N LYS A 23 -7.635 -4.885 -5.249 1.00 0.00 N ATOM 306 CA LYS A 23 -7.730 -5.799 -6.413 1.00 0.00 C ATOM 307 C LYS A 23 -7.660 -7.294 -6.068 1.00 0.00 C ATOM 308 O LYS A 23 -8.390 -8.097 -6.649 1.00 0.00 O ATOM 309 CB LYS A 23 -6.650 -5.471 -7.461 1.00 0.00 C ATOM 310 CG LYS A 23 -6.717 -4.039 -8.007 1.00 0.00 C ATOM 311 CD LYS A 23 -5.719 -3.878 -9.164 1.00 0.00 C ATOM 312 CE LYS A 23 -5.755 -2.451 -9.714 1.00 0.00 C ATOM 313 NZ LYS A 23 -4.791 -2.274 -10.832 1.00 0.00 N ATOM 0 H LYS A 23 -6.714 -4.459 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.727 -5.622 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.668 -5.633 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.743 -6.170 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.727 -3.818 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.488 -3.326 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.713 -4.115 -8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.958 -4.585 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.762 -2.219 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.522 -1.746 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.841 -1.296 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.828 -2.472 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.029 -2.930 -11.603 1.00 0.00 H new ATOM 327 N LEU A 24 -6.775 -7.661 -5.141 1.00 0.00 N ATOM 328 CA LEU A 24 -6.433 -9.041 -4.752 1.00 0.00 C ATOM 329 C LEU A 24 -6.082 -9.084 -3.259 1.00 0.00 C ATOM 330 O LEU A 24 -5.691 -8.054 -2.717 1.00 0.00 O ATOM 331 CB LEU A 24 -5.236 -9.498 -5.615 1.00 0.00 C ATOM 332 CG LEU A 24 -4.977 -11.014 -5.674 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.151 -11.790 -6.275 1.00 0.00 C ATOM 334 CD2 LEU A 24 -3.745 -11.249 -6.553 1.00 0.00 C ATOM 0 H LEU A 24 -6.245 -6.971 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.277 -9.711 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.390 -9.137 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.337 -9.012 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.833 -11.370 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.913 -12.854 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.043 -11.627 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.334 -11.443 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.539 -12.318 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.932 -10.860 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.886 -10.737 -6.120 1.00 0.00 H new ATOM 346 N VAL A 25 -6.203 -10.236 -2.593 1.00 0.00 N ATOM 347 CA VAL A 25 -5.981 -10.362 -1.136 1.00 0.00 C ATOM 348 C VAL A 25 -4.527 -10.682 -0.782 1.00 0.00 C ATOM 349 O VAL A 25 -3.869 -11.528 -1.393 1.00 0.00 O ATOM 350 CB VAL A 25 -6.931 -11.394 -0.493 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.625 -11.662 0.988 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.374 -10.888 -0.560 1.00 0.00 C ATOM 0 H VAL A 25 -6.458 -11.115 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.209 -9.381 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.788 -12.316 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.330 -12.397 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.609 -12.046 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.718 -10.734 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.038 -11.622 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.454 -9.943 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.659 -10.738 -1.601 1.00 0.00 H new ATOM 362 N LEU A 26 -4.052 -9.962 0.232 1.00 0.00 N ATOM 363 CA LEU A 26 -2.736 -10.010 0.853 1.00 0.00 C ATOM 364 C LEU A 26 -2.851 -10.023 2.387 1.00 0.00 C ATOM 365 O LEU A 26 -3.842 -9.574 2.961 1.00 0.00 O ATOM 366 CB LEU A 26 -1.856 -8.865 0.316 1.00 0.00 C ATOM 367 CG LEU A 26 -1.329 -9.152 -1.109 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.255 -8.628 -2.212 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.013 -8.482 -1.354 1.00 0.00 C ATOM 0 H LEU A 26 -4.641 -9.261 0.682 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.241 -10.943 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.432 -7.939 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.013 -8.711 0.989 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.259 -10.239 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.828 -8.862 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.233 -9.101 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.364 -7.548 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.352 -8.706 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.092 -7.403 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.743 -8.856 -0.636 1.00 0.00 H new ATOM 381 N SER A 27 -1.848 -10.564 3.076 1.00 0.00 N ATOM 382 CA SER A 27 -1.706 -10.472 4.532 1.00 0.00 C ATOM 383 C SER A 27 -1.002 -9.167 4.912 1.00 0.00 C ATOM 384 O SER A 27 -0.658 -8.366 4.042 1.00 0.00 O ATOM 385 CB SER A 27 -0.857 -11.660 4.994 1.00 0.00 C ATOM 386 OG SER A 27 0.448 -11.528 4.445 1.00 0.00 O ATOM 0 H SER A 27 -1.095 -11.089 2.631 1.00 0.00 H new ATOM 0 HA SER A 27 -2.687 -10.487 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.808 -11.689 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.310 -12.597 4.670 1.00 0.00 H new ATOM 0 HG SER A 27 1.101 -11.937 5.051 1.00 0.00 H new ATOM 392 N LYS A 28 -0.673 -9.004 6.199 1.00 0.00 N ATOM 393 CA LYS A 28 0.277 -7.990 6.703 1.00 0.00 C ATOM 394 C LYS A 28 1.555 -7.944 5.867 1.00 0.00 C ATOM 395 O LYS A 28 1.968 -6.879 5.397 1.00 0.00 O ATOM 396 CB LYS A 28 0.640 -8.279 8.177 1.00 0.00 C ATOM 397 CG LYS A 28 0.685 -9.766 8.597 1.00 0.00 C ATOM 398 CD LYS A 28 1.283 -9.979 9.995 1.00 0.00 C ATOM 399 CE LYS A 28 0.397 -9.363 11.084 1.00 0.00 C ATOM 400 NZ LYS A 28 0.929 -9.615 12.447 1.00 0.00 N ATOM 0 H LYS A 28 -1.066 -9.584 6.940 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.216 -7.021 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.615 -7.837 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.082 -7.766 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.325 -10.174 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.271 -10.326 7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.403 -11.046 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.277 -9.534 10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.316 -8.288 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.610 -9.774 11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.435 -9.007 13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.779 -10.613 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.947 -9.402 12.467 1.00 0.00 H new ATOM 414 N GLU A 29 2.148 -9.114 5.668 1.00 0.00 N ATOM 415 CA GLU A 29 3.423 -9.250 4.972 1.00 0.00 C ATOM 416 C GLU A 29 3.270 -9.043 3.460 1.00 0.00 C ATOM 417 O GLU A 29 4.118 -8.412 2.824 1.00 0.00 O ATOM 418 CB GLU A 29 4.095 -10.592 5.290 1.00 0.00 C ATOM 419 CG GLU A 29 4.520 -10.697 6.761 1.00 0.00 C ATOM 420 CD GLU A 29 5.339 -11.977 7.015 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.565 -11.981 6.746 1.00 0.00 O ATOM 422 OE2 GLU A 29 4.769 -12.984 7.501 1.00 0.00 O ATOM 0 H GLU A 29 1.757 -10.001 5.986 1.00 0.00 H new ATOM 0 HA GLU A 29 4.077 -8.460 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.408 -11.405 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.969 -10.718 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.112 -9.823 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.636 -10.695 7.399 1.00 0.00 H new ATOM 429 N GLY A 30 2.151 -9.486 2.878 1.00 0.00 N ATOM 430 CA GLY A 30 1.833 -9.167 1.501 1.00 0.00 C ATOM 431 C GLY A 30 1.658 -7.659 1.286 1.00 0.00 C ATOM 432 O GLY A 30 2.289 -7.101 0.390 1.00 0.00 O ATOM 0 H GLY A 30 1.456 -10.066 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.626 -9.536 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.918 -9.683 1.211 1.00 0.00 H new ATOM 436 N ALA A 31 0.873 -6.971 2.123 1.00 0.00 N ATOM 437 CA ALA A 31 0.641 -5.534 1.986 1.00 0.00 C ATOM 438 C ALA A 31 1.969 -4.760 2.088 1.00 0.00 C ATOM 439 O ALA A 31 2.267 -3.890 1.254 1.00 0.00 O ATOM 440 CB ALA A 31 -0.379 -5.059 3.045 1.00 0.00 C ATOM 0 H ALA A 31 0.384 -7.396 2.911 1.00 0.00 H new ATOM 0 HA ALA A 31 0.221 -5.332 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.545 -3.987 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.321 -5.589 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.009 -5.265 4.042 1.00 0.00 H new ATOM 446 N GLU A 32 2.808 -5.114 3.074 1.00 0.00 N ATOM 447 CA GLU A 32 4.105 -4.437 3.201 1.00 0.00 C ATOM 448 C GLU A 32 5.033 -4.757 2.007 1.00 0.00 C ATOM 449 O GLU A 32 5.811 -3.900 1.582 1.00 0.00 O ATOM 450 CB GLU A 32 4.786 -4.659 4.554 1.00 0.00 C ATOM 451 CG GLU A 32 5.490 -6.005 4.694 1.00 0.00 C ATOM 452 CD GLU A 32 6.184 -6.139 6.063 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.490 -6.360 7.086 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.432 -6.019 6.125 1.00 0.00 O ATOM 0 H GLU A 32 2.622 -5.837 3.770 1.00 0.00 H new ATOM 0 HA GLU A 32 3.892 -3.369 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.514 -3.864 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.038 -4.571 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.766 -6.810 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.227 -6.116 3.899 1.00 0.00 H new ATOM 461 N GLN A 33 4.931 -5.962 1.416 1.00 0.00 N ATOM 462 CA GLN A 33 5.665 -6.289 0.189 1.00 0.00 C ATOM 463 C GLN A 33 5.215 -5.425 -0.994 1.00 0.00 C ATOM 464 O GLN A 33 6.068 -4.933 -1.736 1.00 0.00 O ATOM 465 CB GLN A 33 5.582 -7.793 -0.132 1.00 0.00 C ATOM 466 CG GLN A 33 6.504 -8.208 -1.296 1.00 0.00 C ATOM 467 CD GLN A 33 7.991 -7.990 -1.000 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.505 -8.351 0.051 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.751 -7.401 -1.898 1.00 0.00 N ATOM 0 H GLN A 33 4.348 -6.720 1.771 1.00 0.00 H new ATOM 0 HA GLN A 33 6.714 -6.054 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.848 -8.365 0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.552 -8.050 -0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.337 -9.261 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.231 -7.641 -2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.348 -7.090 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.743 -7.255 -1.710 1.00 0.00 H new ATOM 478 N ILE A 34 3.913 -5.142 -1.135 1.00 0.00 N ATOM 479 CA ILE A 34 3.454 -4.179 -2.154 1.00 0.00 C ATOM 480 C ILE A 34 4.085 -2.820 -1.883 1.00 0.00 C ATOM 481 O ILE A 34 4.583 -2.201 -2.816 1.00 0.00 O ATOM 482 CB ILE A 34 1.932 -3.990 -2.246 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.221 -5.331 -2.468 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.642 -3.041 -3.436 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.292 -5.198 -2.260 1.00 0.00 C ATOM 0 H ILE A 34 3.170 -5.554 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 34 3.766 -4.606 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 34 1.560 -3.569 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.422 -5.689 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.621 -6.076 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.567 -2.888 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.132 -2.082 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.024 -3.484 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.768 -6.165 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.491 -4.864 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.694 -4.471 -2.966 1.00 0.00 H new ATOM 497 N ILE A 35 4.115 -2.351 -0.633 1.00 0.00 N ATOM 498 CA ILE A 35 4.785 -1.069 -0.351 1.00 0.00 C ATOM 499 C ILE A 35 6.274 -1.070 -0.674 1.00 0.00 C ATOM 500 O ILE A 35 6.799 -0.052 -1.123 1.00 0.00 O ATOM 501 CB ILE A 35 4.445 -0.545 1.048 1.00 0.00 C ATOM 502 CG1 ILE A 35 3.689 0.790 0.895 1.00 0.00 C ATOM 503 CG2 ILE A 35 5.625 -0.416 2.032 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.576 1.949 0.444 1.00 0.00 C ATOM 0 H ILE A 35 3.702 -2.815 0.176 1.00 0.00 H new ATOM 0 HA ILE A 35 4.372 -0.343 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 35 3.822 -1.307 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.882 0.660 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.227 1.047 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.262 -0.036 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.083 -1.394 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.365 0.273 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.976 2.855 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.368 2.107 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.018 1.714 -0.524 1.00 0.00 H new ATOM 516 N SER A 36 6.937 -2.215 -0.536 1.00 0.00 N ATOM 517 CA SER A 36 8.295 -2.382 -1.043 1.00 0.00 C ATOM 518 C SER A 36 8.329 -2.178 -2.566 1.00 0.00 C ATOM 519 O SER A 36 9.147 -1.398 -3.046 1.00 0.00 O ATOM 520 CB SER A 36 8.877 -3.738 -0.633 1.00 0.00 C ATOM 521 OG SER A 36 10.285 -3.731 -0.803 1.00 0.00 O ATOM 0 H SER A 36 6.555 -3.042 -0.077 1.00 0.00 H new ATOM 0 HA SER A 36 8.928 -1.617 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.629 -3.951 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.433 -4.531 -1.235 1.00 0.00 H new ATOM 0 HG SER A 36 10.651 -4.600 -0.537 1.00 0.00 H new ATOM 527 N GLU A 37 7.381 -2.749 -3.325 1.00 0.00 N ATOM 528 CA GLU A 37 7.274 -2.492 -4.776 1.00 0.00 C ATOM 529 C GLU A 37 6.938 -1.020 -5.095 1.00 0.00 C ATOM 530 O GLU A 37 7.579 -0.412 -5.952 1.00 0.00 O ATOM 531 CB GLU A 37 6.242 -3.404 -5.469 1.00 0.00 C ATOM 532 CG GLU A 37 6.332 -4.913 -5.191 1.00 0.00 C ATOM 533 CD GLU A 37 7.751 -5.503 -5.308 1.00 0.00 C ATOM 534 OE1 GLU A 37 8.469 -5.196 -6.292 1.00 0.00 O ATOM 535 OE2 GLU A 37 8.138 -6.317 -4.434 1.00 0.00 O ATOM 0 H GLU A 37 6.677 -3.391 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 37 8.263 -2.721 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.247 -3.067 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.329 -3.254 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.953 -5.108 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.676 -5.437 -5.886 1.00 0.00 H new ATOM 542 N ILE A 38 5.973 -0.409 -4.397 1.00 0.00 N ATOM 543 CA ILE A 38 5.537 0.979 -4.622 1.00 0.00 C ATOM 544 C ILE A 38 6.690 1.973 -4.365 1.00 0.00 C ATOM 545 O ILE A 38 7.113 2.739 -5.248 1.00 0.00 O ATOM 546 CB ILE A 38 4.280 1.214 -3.742 1.00 0.00 C ATOM 547 CG1 ILE A 38 3.039 0.556 -4.391 1.00 0.00 C ATOM 548 CG2 ILE A 38 4.020 2.679 -3.447 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.767 0.597 -3.528 1.00 0.00 C ATOM 0 H ILE A 38 5.462 -0.872 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 38 5.263 1.152 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 38 4.479 0.741 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.835 1.053 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.273 -0.484 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.128 2.773 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.875 3.101 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.871 3.218 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.949 0.114 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.947 0.073 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.502 1.634 -3.320 1.00 0.00 H new ATOM 561 N GLN A 39 7.282 1.902 -3.170 1.00 0.00 N ATOM 562 CA GLN A 39 8.414 2.754 -2.829 1.00 0.00 C ATOM 563 C GLN A 39 9.612 2.470 -3.738 1.00 0.00 C ATOM 564 O GLN A 39 10.321 3.406 -4.092 1.00 0.00 O ATOM 565 CB GLN A 39 8.821 2.584 -1.366 1.00 0.00 C ATOM 566 CG GLN A 39 7.926 3.316 -0.349 1.00 0.00 C ATOM 567 CD GLN A 39 8.704 3.792 0.880 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.835 3.411 1.157 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.153 4.702 1.638 1.00 0.00 N ATOM 0 H GLN A 39 6.994 1.264 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 39 8.095 3.785 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.822 1.521 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.845 2.938 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.457 4.173 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.123 2.651 -0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.212 5.037 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.663 5.077 2.437 1.00 0.00 H new ATOM 578 N ASN A 40 9.809 1.228 -4.189 1.00 0.00 N ATOM 579 CA ASN A 40 10.817 0.914 -5.207 1.00 0.00 C ATOM 580 C ASN A 40 10.507 1.565 -6.571 1.00 0.00 C ATOM 581 O ASN A 40 11.441 2.030 -7.222 1.00 0.00 O ATOM 582 CB ASN A 40 10.991 -0.609 -5.312 1.00 0.00 C ATOM 583 CG ASN A 40 12.062 -1.003 -6.317 1.00 0.00 C ATOM 584 OD1 ASN A 40 11.797 -1.230 -7.489 1.00 0.00 O ATOM 585 ND2 ASN A 40 13.307 -1.077 -5.899 1.00 0.00 N ATOM 0 H ASN A 40 9.280 0.419 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 40 11.765 1.349 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.251 -1.011 -4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.042 -1.061 -5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.051 -1.324 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.529 -0.888 -4.922 1.00 0.00 H new ATOM 592 N GLN A 41 9.240 1.699 -6.988 1.00 0.00 N ATOM 593 CA GLN A 41 8.894 2.383 -8.237 1.00 0.00 C ATOM 594 C GLN A 41 9.191 3.884 -8.139 1.00 0.00 C ATOM 595 O GLN A 41 9.639 4.474 -9.124 1.00 0.00 O ATOM 596 CB GLN A 41 7.424 2.118 -8.590 1.00 0.00 C ATOM 597 CG GLN A 41 7.187 0.664 -9.032 1.00 0.00 C ATOM 598 CD GLN A 41 7.507 0.380 -10.502 1.00 0.00 C ATOM 599 OE1 GLN A 41 8.029 1.198 -11.249 1.00 0.00 O ATOM 600 NE2 GLN A 41 7.211 -0.810 -10.981 1.00 0.00 N ATOM 0 H GLN A 41 8.436 1.340 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 41 9.513 1.985 -9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.799 2.340 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.116 2.794 -9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.793 0.006 -8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.144 0.408 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.776 -1.508 -10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.417 -1.034 -11.955 1.00 0.00 H new ATOM 609 N LEU A 42 9.041 4.489 -6.950 1.00 0.00 N ATOM 610 CA LEU A 42 9.539 5.868 -6.746 1.00 0.00 C ATOM 611 C LEU A 42 11.078 5.969 -6.606 1.00 0.00 C ATOM 612 O LEU A 42 11.700 6.855 -7.196 1.00 0.00 O ATOM 613 CB LEU A 42 8.758 6.511 -5.587 1.00 0.00 C ATOM 614 CG LEU A 42 8.928 8.045 -5.433 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.707 8.624 -4.722 1.00 0.00 C ATOM 616 CD2 LEU A 42 10.159 8.402 -4.594 1.00 0.00 C ATOM 0 H LEU A 42 8.595 4.066 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 42 9.347 6.443 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.699 6.293 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.066 6.034 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 42 9.044 8.458 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.826 9.702 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.812 8.415 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.610 8.169 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.241 9.486 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.059 7.968 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.054 8.006 -5.074 1.00 0.00 H new ATOM 628 N GLN A 43 11.708 5.064 -5.855 1.00 0.00 N ATOM 629 CA GLN A 43 13.105 5.179 -5.402 1.00 0.00 C ATOM 630 C GLN A 43 14.140 4.693 -6.430 1.00 0.00 C ATOM 631 O GLN A 43 15.188 5.319 -6.590 1.00 0.00 O ATOM 632 CB GLN A 43 13.256 4.441 -4.057 1.00 0.00 C ATOM 633 CG GLN A 43 14.645 4.616 -3.414 1.00 0.00 C ATOM 634 CD GLN A 43 14.767 4.000 -2.017 1.00 0.00 C ATOM 635 OE1 GLN A 43 13.800 3.681 -1.335 1.00 0.00 O ATOM 636 NE2 GLN A 43 15.971 3.833 -1.512 1.00 0.00 N ATOM 0 H GLN A 43 11.254 4.208 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 43 13.320 6.240 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.496 4.803 -3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.067 3.379 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.395 4.166 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.874 5.680 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.793 4.090 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.082 3.446 -0.575 1.00 0.00 H new ATOM 645 N ASN A 44 13.875 3.581 -7.126 1.00 0.00 N ATOM 646 CA ASN A 44 14.869 2.909 -7.975 1.00 0.00 C ATOM 647 C ASN A 44 15.125 3.663 -9.295 1.00 0.00 C ATOM 648 O ASN A 44 16.209 3.543 -9.868 1.00 0.00 O ATOM 649 CB ASN A 44 14.391 1.463 -8.218 1.00 0.00 C ATOM 650 CG ASN A 44 15.498 0.446 -8.470 1.00 0.00 C ATOM 651 OD1 ASN A 44 15.492 -0.644 -7.912 1.00 0.00 O ATOM 652 ND2 ASN A 44 16.483 0.745 -9.287 1.00 0.00 N ATOM 0 H ASN A 44 12.965 3.120 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 44 15.831 2.899 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.812 1.139 -7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.715 1.460 -9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.232 0.072 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.499 1.650 -9.757 1.00 0.00 H new ATOM 659 N LEU A 45 14.153 4.440 -9.783 1.00 0.00 N ATOM 660 CA LEU A 45 14.228 5.191 -11.041 1.00 0.00 C ATOM 661 C LEU A 45 14.854 6.587 -10.831 1.00 0.00 C ATOM 662 O LEU A 45 14.210 7.612 -11.083 1.00 0.00 O ATOM 663 CB LEU A 45 12.826 5.230 -11.691 1.00 0.00 C ATOM 664 CG LEU A 45 12.171 3.857 -11.949 1.00 0.00 C ATOM 665 CD1 LEU A 45 10.811 4.049 -12.619 1.00 0.00 C ATOM 666 CD2 LEU A 45 13.020 2.956 -12.849 1.00 0.00 C ATOM 0 H LEU A 45 13.264 4.568 -9.299 1.00 0.00 H new ATOM 0 HA LEU A 45 14.898 4.685 -11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.165 5.813 -11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.900 5.761 -12.640 1.00 0.00 H new ATOM 0 HG LEU A 45 12.070 3.374 -10.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.353 3.076 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.165 4.639 -11.969 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.943 4.569 -13.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.510 2.004 -12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.168 3.441 -13.814 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.988 2.780 -12.379 1.00 0.00 H new ATOM 678 N LYS A 46 16.088 6.629 -10.308 1.00 0.00 N ATOM 679 CA LYS A 46 16.883 7.840 -10.020 1.00 0.00 C ATOM 680 C LYS A 46 18.343 7.679 -10.471 1.00 0.00 C ATOM 681 O LYS A 46 18.959 6.630 -10.175 1.00 0.00 O ATOM 682 CB LYS A 46 16.817 8.182 -8.513 1.00 0.00 C ATOM 683 CG LYS A 46 15.407 8.486 -7.977 1.00 0.00 C ATOM 684 CD LYS A 46 14.809 9.774 -8.571 1.00 0.00 C ATOM 685 CE LYS A 46 13.301 9.890 -8.339 1.00 0.00 C ATOM 686 NZ LYS A 46 12.557 8.812 -9.032 1.00 0.00 N ATOM 687 OXT LYS A 46 18.863 8.608 -11.131 1.00 0.00 O ATOM 0 H LYS A 46 16.588 5.775 -10.060 1.00 0.00 H new ATOM 0 HA LYS A 46 16.451 8.663 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.232 7.348 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.456 9.045 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.749 7.647 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.447 8.576 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.307 10.637 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.010 9.802 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.093 9.847 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.951 10.860 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.703 9.208 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.161 8.389 -9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.284 8.081 -8.344 1.00 0.00 H new TER 701 LYS A 46 ATOM 702 N MET B 1 -18.097 -21.231 -1.186 1.00 0.00 N ATOM 703 CA MET B 1 -17.349 -19.981 -1.492 1.00 0.00 C ATOM 704 C MET B 1 -15.840 -20.236 -1.569 1.00 0.00 C ATOM 705 O MET B 1 -15.349 -21.239 -1.046 1.00 0.00 O ATOM 706 CB MET B 1 -17.683 -18.838 -0.507 1.00 0.00 C ATOM 707 CG MET B 1 -17.196 -19.059 0.935 1.00 0.00 C ATOM 708 SD MET B 1 -17.603 -17.695 2.061 1.00 0.00 S ATOM 709 CE MET B 1 -16.821 -18.311 3.577 1.00 0.00 C ATOM 0 H1 MET B 1 -18.688 -21.490 -2.001 1.00 0.00 H new ATOM 0 H2 MET B 1 -17.424 -21.999 -0.988 1.00 0.00 H new ATOM 0 H3 MET B 1 -18.702 -21.079 -0.354 1.00 0.00 H new ATOM 0 HA MET B 1 -17.680 -19.650 -2.477 1.00 0.00 H new ATOM 0 HB2 MET B 1 -17.245 -17.914 -0.885 1.00 0.00 H new ATOM 0 HB3 MET B 1 -18.764 -18.696 -0.492 1.00 0.00 H new ATOM 0 HG2 MET B 1 -17.635 -19.979 1.320 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.115 -19.201 0.926 1.00 0.00 H new ATOM 0 HE1 MET B 1 -16.973 -17.592 4.382 1.00 0.00 H new ATOM 0 HE2 MET B 1 -17.267 -19.266 3.854 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.753 -18.445 3.407 1.00 0.00 H new ATOM 721 N ASN B 2 -15.090 -19.333 -2.209 1.00 0.00 N ATOM 722 CA ASN B 2 -13.624 -19.392 -2.298 1.00 0.00 C ATOM 723 C ASN B 2 -12.920 -19.091 -0.957 1.00 0.00 C ATOM 724 O ASN B 2 -13.475 -18.430 -0.075 1.00 0.00 O ATOM 725 CB ASN B 2 -13.138 -18.446 -3.413 1.00 0.00 C ATOM 726 CG ASN B 2 -13.481 -16.985 -3.157 1.00 0.00 C ATOM 727 OD1 ASN B 2 -14.570 -16.521 -3.469 1.00 0.00 O ATOM 728 ND2 ASN B 2 -12.587 -16.212 -2.580 1.00 0.00 N ATOM 0 H ASN B 2 -15.490 -18.526 -2.688 1.00 0.00 H new ATOM 0 HA ASN B 2 -13.351 -20.418 -2.546 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -12.058 -18.545 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -13.580 -18.755 -4.360 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -12.803 -15.232 -2.395 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -11.678 -16.592 -2.317 1.00 0.00 H new ATOM 735 N CYS B 3 -11.664 -19.528 -0.836 1.00 0.00 N ATOM 736 CA CYS B 3 -10.748 -19.123 0.234 1.00 0.00 C ATOM 737 C CYS B 3 -10.211 -17.690 0.033 1.00 0.00 C ATOM 738 O CYS B 3 -10.295 -17.119 -1.060 1.00 0.00 O ATOM 739 CB CYS B 3 -9.601 -20.149 0.323 1.00 0.00 C ATOM 740 SG CYS B 3 -8.717 -20.286 -1.262 1.00 0.00 S ATOM 0 H CYS B 3 -11.246 -20.187 -1.493 1.00 0.00 H new ATOM 0 HA CYS B 3 -11.296 -19.107 1.176 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -8.904 -19.852 1.107 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -10.002 -21.123 0.605 1.00 0.00 H new ATOM 0 HG CYS B 3 -7.757 -21.156 -1.150 1.00 0.00 H new ATOM 746 N MET B 4 -9.609 -17.131 1.086 1.00 0.00 N ATOM 747 CA MET B 4 -8.755 -15.939 1.026 1.00 0.00 C ATOM 748 C MET B 4 -7.412 -16.216 1.704 1.00 0.00 C ATOM 749 O MET B 4 -7.350 -16.623 2.862 1.00 0.00 O ATOM 750 CB MET B 4 -9.443 -14.722 1.662 1.00 0.00 C ATOM 751 CG MET B 4 -10.397 -14.050 0.669 1.00 0.00 C ATOM 752 SD MET B 4 -11.322 -12.650 1.357 1.00 0.00 S ATOM 753 CE MET B 4 -12.260 -12.156 -0.114 1.00 0.00 C ATOM 0 H MET B 4 -9.704 -17.504 2.030 1.00 0.00 H new ATOM 0 HA MET B 4 -8.577 -15.704 -0.024 1.00 0.00 H new ATOM 0 HB2 MET B 4 -9.995 -15.034 2.548 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.691 -14.005 1.991 1.00 0.00 H new ATOM 0 HG2 MET B 4 -9.824 -13.704 -0.191 1.00 0.00 H new ATOM 0 HG3 MET B 4 -11.105 -14.794 0.303 1.00 0.00 H new ATOM 0 HE1 MET B 4 -12.890 -11.300 0.127 1.00 0.00 H new ATOM 0 HE2 MET B 4 -11.569 -11.885 -0.912 1.00 0.00 H new ATOM 0 HE3 MET B 4 -12.886 -12.986 -0.442 1.00 0.00 H new ATOM 763 N THR B 5 -6.334 -15.971 0.966 1.00 0.00 N ATOM 764 CA THR B 5 -4.941 -15.977 1.413 1.00 0.00 C ATOM 765 C THR B 5 -4.151 -14.918 0.658 1.00 0.00 C ATOM 766 O THR B 5 -4.542 -14.508 -0.440 1.00 0.00 O ATOM 767 CB THR B 5 -4.321 -17.358 1.195 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.109 -17.436 1.902 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.054 -17.731 -0.271 1.00 0.00 C ATOM 0 H THR B 5 -6.413 -15.748 -0.026 1.00 0.00 H new ATOM 0 HA THR B 5 -4.910 -15.748 2.478 1.00 0.00 H new ATOM 0 HB THR B 5 -5.063 -18.069 1.558 1.00 0.00 H new ATOM 0 HG1 THR B 5 -2.741 -18.341 1.822 1.00 0.00 H new ATOM 0 HG21 THR B 5 -3.614 -18.727 -0.319 1.00 0.00 H new ATOM 0 HG22 THR B 5 -4.992 -17.721 -0.826 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.365 -17.009 -0.710 1.00 0.00 H new ATOM 777 N CYS B 6 -3.021 -14.497 1.214 1.00 0.00 N ATOM 778 CA CYS B 6 -2.042 -13.701 0.507 1.00 0.00 C ATOM 779 C CYS B 6 -1.525 -14.430 -0.731 1.00 0.00 C ATOM 780 O CYS B 6 -0.884 -15.470 -0.615 1.00 0.00 O ATOM 781 CB CYS B 6 -0.908 -13.333 1.462 1.00 0.00 C ATOM 782 SG CYS B 6 0.180 -12.165 0.613 1.00 0.00 S ATOM 0 H CYS B 6 -2.762 -14.704 2.179 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.513 -12.784 0.154 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.307 -12.889 2.374 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.354 -14.224 1.757 1.00 0.00 H new ATOM 0 HG CYS B 6 1.071 -11.717 1.447 1.00 0.00 H new ATOM 788 N GLN B 7 -1.741 -13.876 -1.924 1.00 0.00 N ATOM 789 CA GLN B 7 -1.234 -14.506 -3.148 1.00 0.00 C ATOM 790 C GLN B 7 0.280 -14.251 -3.370 1.00 0.00 C ATOM 791 O GLN B 7 0.900 -14.903 -4.213 1.00 0.00 O ATOM 792 CB GLN B 7 -2.095 -14.096 -4.348 1.00 0.00 C ATOM 793 CG GLN B 7 -3.618 -14.216 -4.166 1.00 0.00 C ATOM 794 CD GLN B 7 -4.105 -15.651 -4.000 1.00 0.00 C ATOM 795 OE1 GLN B 7 -3.930 -16.508 -4.858 1.00 0.00 O ATOM 796 NE2 GLN B 7 -4.755 -15.969 -2.906 1.00 0.00 N ATOM 0 H GLN B 7 -2.254 -13.007 -2.071 1.00 0.00 H new ATOM 0 HA GLN B 7 -1.320 -15.586 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -1.861 -13.062 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.803 -14.706 -5.203 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -3.917 -13.637 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -4.114 -13.771 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -4.909 -15.267 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -5.106 -16.918 -2.779 1.00 0.00 H new ATOM 805 N VAL B 8 0.882 -13.320 -2.610 1.00 0.00 N ATOM 806 CA VAL B 8 2.308 -12.911 -2.683 1.00 0.00 C ATOM 807 C VAL B 8 3.193 -13.586 -1.613 1.00 0.00 C ATOM 808 O VAL B 8 4.395 -13.756 -1.825 1.00 0.00 O ATOM 809 CB VAL B 8 2.400 -11.367 -2.605 1.00 0.00 C ATOM 810 CG1 VAL B 8 3.832 -10.820 -2.660 1.00 0.00 C ATOM 811 CG2 VAL B 8 1.626 -10.717 -3.763 1.00 0.00 C ATOM 0 H VAL B 8 0.370 -12.805 -1.894 1.00 0.00 H new ATOM 0 HA VAL B 8 2.703 -13.254 -3.639 1.00 0.00 H new ATOM 0 HB VAL B 8 1.972 -11.116 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.808 -9.732 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.406 -11.217 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.301 -11.121 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.704 -9.632 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.047 -11.047 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.578 -11.010 -3.710 1.00 0.00 H new ATOM 821 N THR B 9 2.609 -14.008 -0.484 1.00 0.00 N ATOM 822 CA THR B 9 3.318 -14.652 0.652 1.00 0.00 C ATOM 823 C THR B 9 2.721 -16.004 1.044 1.00 0.00 C ATOM 824 O THR B 9 3.459 -16.931 1.389 1.00 0.00 O ATOM 825 CB THR B 9 3.372 -13.760 1.905 1.00 0.00 C ATOM 826 OG1 THR B 9 2.099 -13.659 2.502 1.00 0.00 O ATOM 827 CG2 THR B 9 3.853 -12.338 1.626 1.00 0.00 C ATOM 0 H THR B 9 1.606 -13.913 -0.322 1.00 0.00 H new ATOM 0 HA THR B 9 4.330 -14.809 0.280 1.00 0.00 H new ATOM 0 HB THR B 9 4.089 -14.247 2.565 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.431 -13.452 1.815 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.865 -11.769 2.556 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.859 -12.370 1.207 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.179 -11.859 0.916 1.00 0.00 H new ATOM 835 N GLY B 10 1.394 -16.128 0.966 1.00 0.00 N ATOM 836 CA GLY B 10 0.648 -17.346 1.322 1.00 0.00 C ATOM 837 C GLY B 10 0.022 -17.325 2.723 1.00 0.00 C ATOM 838 O GLY B 10 -0.495 -18.348 3.176 1.00 0.00 O ATOM 0 H GLY B 10 0.791 -15.370 0.647 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.142 -17.500 0.587 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.320 -18.201 1.251 1.00 0.00 H new ATOM 842 N GLU B 11 0.078 -16.188 3.425 1.00 0.00 N ATOM 843 CA GLU B 11 -0.540 -15.999 4.742 1.00 0.00 C ATOM 844 C GLU B 11 -2.014 -15.574 4.673 1.00 0.00 C ATOM 845 O GLU B 11 -2.407 -14.726 3.878 1.00 0.00 O ATOM 846 CB GLU B 11 0.274 -14.971 5.540 1.00 0.00 C ATOM 847 CG GLU B 11 1.529 -15.598 6.146 1.00 0.00 C ATOM 848 CD GLU B 11 1.205 -16.513 7.346 1.00 0.00 C ATOM 849 OE1 GLU B 11 1.010 -15.998 8.475 1.00 0.00 O ATOM 850 OE2 GLU B 11 1.140 -17.754 7.171 1.00 0.00 O ATOM 0 H GLU B 11 0.564 -15.357 3.087 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.530 -16.967 5.243 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.557 -14.145 4.888 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.345 -14.553 6.334 1.00 0.00 H new ATOM 0 HG2 GLU B 11 2.049 -16.175 5.382 1.00 0.00 H new ATOM 0 HG3 GLU B 11 2.208 -14.808 6.467 1.00 0.00 H new ATOM 857 N VAL B 12 -2.821 -16.113 5.583 1.00 0.00 N ATOM 858 CA VAL B 12 -4.256 -15.814 5.739 1.00 0.00 C ATOM 859 C VAL B 12 -4.536 -15.067 7.050 1.00 0.00 C ATOM 860 O VAL B 12 -4.135 -15.520 8.126 1.00 0.00 O ATOM 861 CB VAL B 12 -5.123 -17.085 5.571 1.00 0.00 C ATOM 862 CG1 VAL B 12 -4.647 -18.294 6.392 1.00 0.00 C ATOM 863 CG2 VAL B 12 -6.592 -16.825 5.924 1.00 0.00 C ATOM 0 H VAL B 12 -2.488 -16.797 6.262 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.546 -15.138 4.934 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.016 -17.332 4.515 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.312 -19.139 6.214 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.633 -18.560 6.093 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.658 -18.041 7.452 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.166 -17.742 5.793 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.664 -16.497 6.961 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.992 -16.050 5.270 1.00 0.00 H new ATOM 873 N SER B 13 -5.267 -13.949 6.965 1.00 0.00 N ATOM 874 CA SER B 13 -5.813 -13.223 8.119 1.00 0.00 C ATOM 875 C SER B 13 -7.220 -12.721 7.789 1.00 0.00 C ATOM 876 O SER B 13 -7.433 -12.165 6.714 1.00 0.00 O ATOM 877 CB SER B 13 -4.919 -12.029 8.474 1.00 0.00 C ATOM 878 OG SER B 13 -3.587 -12.429 8.759 1.00 0.00 O ATOM 0 H SER B 13 -5.501 -13.514 6.073 1.00 0.00 H new ATOM 0 HA SER B 13 -5.852 -13.901 8.971 1.00 0.00 H new ATOM 0 HB2 SER B 13 -4.915 -11.320 7.646 1.00 0.00 H new ATOM 0 HB3 SER B 13 -5.334 -11.509 9.337 1.00 0.00 H new ATOM 0 HG SER B 13 -3.195 -11.817 9.416 1.00 0.00 H new ATOM 884 N ASP B 14 -8.184 -12.878 8.702 1.00 0.00 N ATOM 885 CA ASP B 14 -9.609 -12.584 8.459 1.00 0.00 C ATOM 886 C ASP B 14 -9.918 -11.083 8.242 1.00 0.00 C ATOM 887 O ASP B 14 -11.000 -10.726 7.770 1.00 0.00 O ATOM 888 CB ASP B 14 -10.479 -13.185 9.577 1.00 0.00 C ATOM 889 CG ASP B 14 -9.998 -12.849 11.000 1.00 0.00 C ATOM 890 OD1 ASP B 14 -8.979 -13.429 11.446 1.00 0.00 O ATOM 891 OD2 ASP B 14 -10.662 -12.033 11.684 1.00 0.00 O ATOM 0 H ASP B 14 -7.999 -13.218 9.646 1.00 0.00 H new ATOM 0 HA ASP B 14 -9.862 -13.063 7.513 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -11.502 -12.828 9.458 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -10.504 -14.268 9.460 1.00 0.00 H new ATOM 896 N ASP B 15 -8.955 -10.201 8.516 1.00 0.00 N ATOM 897 CA ASP B 15 -8.995 -8.769 8.211 1.00 0.00 C ATOM 898 C ASP B 15 -8.653 -8.434 6.743 1.00 0.00 C ATOM 899 O ASP B 15 -8.898 -7.307 6.313 1.00 0.00 O ATOM 900 CB ASP B 15 -8.031 -8.044 9.156 1.00 0.00 C ATOM 901 CG ASP B 15 -8.197 -8.474 10.622 1.00 0.00 C ATOM 902 OD1 ASP B 15 -9.080 -7.900 11.303 1.00 0.00 O ATOM 903 OD2 ASP B 15 -7.461 -9.382 11.074 1.00 0.00 O ATOM 0 H ASP B 15 -8.088 -10.477 8.977 1.00 0.00 H new ATOM 0 HA ASP B 15 -10.021 -8.433 8.358 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.006 -8.237 8.840 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.192 -6.969 9.077 1.00 0.00 H new ATOM 908 N ASN B 16 -8.108 -9.404 5.988 1.00 0.00 N ATOM 909 CA ASN B 16 -7.859 -9.409 4.537 1.00 0.00 C ATOM 910 C ASN B 16 -7.429 -8.049 3.944 1.00 0.00 C ATOM 911 O ASN B 16 -8.251 -7.302 3.402 1.00 0.00 O ATOM 912 CB ASN B 16 -9.093 -9.995 3.825 1.00 0.00 C ATOM 913 CG ASN B 16 -9.356 -11.443 4.201 1.00 0.00 C ATOM 914 OD1 ASN B 16 -8.594 -12.335 3.863 1.00 0.00 O ATOM 915 ND2 ASN B 16 -10.430 -11.735 4.897 1.00 0.00 N ATOM 0 H ASN B 16 -7.805 -10.279 6.415 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.989 -10.042 4.362 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -9.969 -9.395 4.073 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -8.953 -9.924 2.746 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -10.624 -12.703 5.153 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -11.070 -10.994 5.182 1.00 0.00 H new ATOM 922 N LEU B 17 -6.124 -7.749 3.983 1.00 0.00 N ATOM 923 CA LEU B 17 -5.534 -6.600 3.291 1.00 0.00 C ATOM 924 C LEU B 17 -5.599 -6.828 1.772 1.00 0.00 C ATOM 925 O LEU B 17 -5.696 -7.968 1.316 1.00 0.00 O ATOM 926 CB LEU B 17 -4.096 -6.341 3.813 1.00 0.00 C ATOM 927 CG LEU B 17 -3.958 -6.325 5.346 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.527 -6.027 5.797 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.887 -5.290 5.970 1.00 0.00 C ATOM 0 H LEU B 17 -5.443 -8.304 4.502 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.104 -5.695 3.503 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.435 -7.109 3.411 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.749 -5.385 3.421 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.232 -7.325 5.684 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.481 -6.027 6.886 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.856 -6.791 5.406 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.223 -5.050 5.421 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.768 -5.301 7.053 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.638 -4.300 5.588 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.920 -5.528 5.716 1.00 0.00 H new ATOM 941 N LYS B 18 -5.604 -5.756 0.973 1.00 0.00 N ATOM 942 CA LYS B 18 -5.823 -5.852 -0.485 1.00 0.00 C ATOM 943 C LYS B 18 -4.919 -4.943 -1.333 1.00 0.00 C ATOM 944 O LYS B 18 -4.450 -3.902 -0.872 1.00 0.00 O ATOM 945 CB LYS B 18 -7.306 -5.663 -0.852 1.00 0.00 C ATOM 946 CG LYS B 18 -8.279 -6.636 -0.166 1.00 0.00 C ATOM 947 CD LYS B 18 -9.649 -6.669 -0.864 1.00 0.00 C ATOM 948 CE LYS B 18 -9.623 -7.576 -2.106 1.00 0.00 C ATOM 949 NZ LYS B 18 -10.843 -7.409 -2.940 1.00 0.00 N ATOM 0 H LYS B 18 -5.458 -4.804 1.308 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.527 -6.869 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.599 -4.644 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.413 -5.768 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -7.849 -7.638 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.410 -6.343 0.876 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.406 -7.026 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -9.935 -5.658 -1.155 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -8.741 -7.348 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -9.536 -8.617 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -11.045 -8.298 -3.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.649 -7.164 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -10.689 -6.649 -3.633 1.00 0.00 H new ATOM 963 N LEU B 19 -4.684 -5.361 -2.582 1.00 0.00 N ATOM 964 CA LEU B 19 -3.745 -4.755 -3.541 1.00 0.00 C ATOM 965 C LEU B 19 -4.202 -3.392 -4.091 1.00 0.00 C ATOM 966 O LEU B 19 -5.390 -3.070 -4.103 1.00 0.00 O ATOM 967 CB LEU B 19 -3.423 -5.815 -4.618 1.00 0.00 C ATOM 968 CG LEU B 19 -2.144 -5.588 -5.459 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.415 -6.911 -5.695 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.479 -5.020 -6.839 1.00 0.00 C ATOM 0 H LEU B 19 -5.166 -6.170 -2.973 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.822 -4.485 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.339 -6.784 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.272 -5.876 -5.299 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.523 -4.889 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.518 -6.732 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.135 -7.348 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -2.072 -7.598 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.559 -4.872 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -3.125 -5.717 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.992 -4.065 -6.725 1.00 0.00 H new ATOM 982 N ALA B 20 -3.244 -2.580 -4.541 1.00 0.00 N ATOM 983 CA ALA B 20 -3.437 -1.160 -4.866 1.00 0.00 C ATOM 984 C ALA B 20 -4.039 -0.907 -6.265 1.00 0.00 C ATOM 985 O ALA B 20 -3.972 -1.769 -7.142 1.00 0.00 O ATOM 986 CB ALA B 20 -2.105 -0.418 -4.684 1.00 0.00 C ATOM 0 H ALA B 20 -2.287 -2.897 -4.695 1.00 0.00 H new ATOM 0 HA ALA B 20 -4.182 -0.769 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.240 0.637 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.772 -0.516 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.355 -0.848 -5.349 1.00 0.00 H new ATOM 992 N GLY B 21 -4.619 0.281 -6.493 1.00 0.00 N ATOM 993 CA GLY B 21 -5.249 0.628 -7.784 1.00 0.00 C ATOM 994 C GLY B 21 -5.304 2.128 -8.106 1.00 0.00 C ATOM 995 O GLY B 21 -5.274 2.502 -9.280 1.00 0.00 O ATOM 0 H GLY B 21 -4.667 1.025 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.706 0.122 -8.582 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -6.265 0.234 -7.791 1.00 0.00 H new ATOM 999 N GLY B 22 -5.301 2.986 -7.083 1.00 0.00 N ATOM 1000 CA GLY B 22 -4.992 4.411 -7.192 1.00 0.00 C ATOM 1001 C GLY B 22 -6.188 5.351 -7.044 1.00 0.00 C ATOM 1002 O GLY B 22 -6.616 5.969 -8.022 1.00 0.00 O ATOM 0 H GLY B 22 -5.520 2.699 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -4.254 4.665 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.526 4.592 -8.161 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.703 5.495 -5.814 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.824 6.413 -5.504 1.00 0.00 C ATOM 1008 C LYS B 23 -7.417 7.893 -5.389 1.00 0.00 C ATOM 1009 O LYS B 23 -8.224 8.774 -5.686 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.565 5.965 -4.230 1.00 0.00 C ATOM 1011 CG LYS B 23 -9.166 4.553 -4.314 1.00 0.00 C ATOM 1012 CD LYS B 23 -9.995 4.252 -3.056 1.00 0.00 C ATOM 1013 CE LYS B 23 -10.591 2.841 -3.119 1.00 0.00 C ATOM 1014 NZ LYS B 23 -11.405 2.532 -1.916 1.00 0.00 N ATOM 0 H LYS B 23 -6.359 4.982 -5.003 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.493 6.350 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.873 6.004 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.364 6.676 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.794 4.470 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.369 3.817 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.367 4.347 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.796 4.985 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -11.211 2.748 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.787 2.111 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -11.791 1.570 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -10.808 2.596 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -12.187 3.213 -1.842 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.184 8.163 -4.953 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.605 9.498 -4.720 1.00 0.00 C ATOM 1030 C LEU B 24 -4.070 9.431 -4.811 1.00 0.00 C ATOM 1031 O LEU B 24 -3.511 8.354 -4.618 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.065 9.982 -3.325 1.00 0.00 C ATOM 1033 CG LEU B 24 -5.839 11.472 -3.006 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.504 12.411 -4.016 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.438 11.766 -1.631 1.00 0.00 C ATOM 0 H LEU B 24 -5.522 7.417 -4.740 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.945 10.203 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.129 9.769 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.548 9.389 -2.570 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.764 11.650 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.307 13.446 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.099 12.222 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.580 12.235 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.288 12.818 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.505 11.545 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -5.948 11.145 -0.881 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.383 10.549 -5.072 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.909 10.612 -5.199 1.00 0.00 C ATOM 1049 C VAL B 25 -1.224 10.875 -3.855 1.00 0.00 C ATOM 1050 O VAL B 25 -1.608 11.756 -3.081 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.452 11.664 -6.232 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.073 11.846 -6.253 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.870 11.263 -7.650 1.00 0.00 C ATOM 0 H VAL B 25 -3.836 11.453 -5.204 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.603 9.629 -5.556 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.930 12.595 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.340 12.597 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.414 12.172 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.549 10.899 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.535 12.022 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.418 10.305 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.955 11.176 -7.698 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.181 10.086 -3.613 1.00 0.00 N ATOM 1064 CA LEU B 26 0.741 10.117 -2.483 1.00 0.00 C ATOM 1065 C LEU B 26 2.198 10.092 -2.979 1.00 0.00 C ATOM 1066 O LEU B 26 2.485 9.688 -4.105 1.00 0.00 O ATOM 1067 CB LEU B 26 0.414 8.978 -1.496 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.857 9.243 -0.658 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.158 8.803 -1.340 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.814 8.479 0.655 1.00 0.00 C ATOM 0 H LEU B 26 0.062 9.339 -4.264 1.00 0.00 H new ATOM 0 HA LEU B 26 0.618 11.050 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.287 8.049 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.260 8.834 -0.824 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.860 10.324 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.003 9.023 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.276 9.341 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.121 7.732 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.720 8.684 1.225 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.747 7.410 0.452 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.056 8.794 1.231 1.00 0.00 H new ATOM 1082 N SER B 27 3.146 10.540 -2.156 1.00 0.00 N ATOM 1083 CA SER B 27 4.585 10.337 -2.391 1.00 0.00 C ATOM 1084 C SER B 27 5.076 9.133 -1.585 1.00 0.00 C ATOM 1085 O SER B 27 4.273 8.437 -0.962 1.00 0.00 O ATOM 1086 CB SER B 27 5.328 11.621 -2.025 1.00 0.00 C ATOM 1087 OG SER B 27 6.676 11.559 -2.459 1.00 0.00 O ATOM 0 H SER B 27 2.941 11.058 -1.301 1.00 0.00 H new ATOM 0 HA SER B 27 4.778 10.120 -3.442 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.832 12.477 -2.482 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.294 11.772 -0.946 1.00 0.00 H new ATOM 0 HG SER B 27 7.136 12.390 -2.218 1.00 0.00 H new ATOM 1093 N LYS B 28 6.392 8.902 -1.551 1.00 0.00 N ATOM 1094 CA LYS B 28 7.072 7.806 -0.834 1.00 0.00 C ATOM 1095 C LYS B 28 6.554 7.680 0.601 1.00 0.00 C ATOM 1096 O LYS B 28 6.129 6.607 1.052 1.00 0.00 O ATOM 1097 CB LYS B 28 8.582 8.126 -0.877 1.00 0.00 C ATOM 1098 CG LYS B 28 9.475 6.932 -0.525 1.00 0.00 C ATOM 1099 CD LYS B 28 10.964 7.280 -0.664 1.00 0.00 C ATOM 1100 CE LYS B 28 11.837 6.033 -0.857 1.00 0.00 C ATOM 1101 NZ LYS B 28 11.972 5.191 0.361 1.00 0.00 N ATOM 0 H LYS B 28 7.051 9.503 -2.047 1.00 0.00 H new ATOM 0 HA LYS B 28 6.874 6.843 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.841 8.480 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.791 8.942 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.269 6.612 0.496 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.235 6.092 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.100 7.951 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.294 7.818 0.225 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.414 5.428 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.830 6.345 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.760 4.524 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 12.159 5.799 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.091 4.660 0.516 1.00 0.00 H new ATOM 1115 N GLU B 29 6.492 8.834 1.261 1.00 0.00 N ATOM 1116 CA GLU B 29 6.123 8.942 2.666 1.00 0.00 C ATOM 1117 C GLU B 29 4.621 8.700 2.860 1.00 0.00 C ATOM 1118 O GLU B 29 4.209 7.987 3.778 1.00 0.00 O ATOM 1119 CB GLU B 29 6.524 10.317 3.221 1.00 0.00 C ATOM 1120 CG GLU B 29 8.000 10.704 3.035 1.00 0.00 C ATOM 1121 CD GLU B 29 8.967 9.736 3.741 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.963 9.676 4.994 1.00 0.00 O ATOM 1123 OE2 GLU B 29 9.759 9.053 3.046 1.00 0.00 O ATOM 0 H GLU B 29 6.700 9.733 0.826 1.00 0.00 H new ATOM 0 HA GLU B 29 6.662 8.173 3.219 1.00 0.00 H new ATOM 0 HB2 GLU B 29 5.905 11.076 2.743 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.292 10.341 4.286 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.232 10.729 1.970 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.157 11.712 3.420 1.00 0.00 H new ATOM 1130 N GLY B 30 3.786 9.224 1.953 1.00 0.00 N ATOM 1131 CA GLY B 30 2.361 8.954 1.983 1.00 0.00 C ATOM 1132 C GLY B 30 2.047 7.478 1.740 1.00 0.00 C ATOM 1133 O GLY B 30 1.262 6.902 2.488 1.00 0.00 O ATOM 0 H GLY B 30 4.083 9.836 1.193 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.956 9.255 2.949 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.862 9.559 1.226 1.00 0.00 H new ATOM 1137 N ALA B 31 2.684 6.831 0.757 1.00 0.00 N ATOM 1138 CA ALA B 31 2.427 5.427 0.443 1.00 0.00 C ATOM 1139 C ALA B 31 2.800 4.546 1.651 1.00 0.00 C ATOM 1140 O ALA B 31 2.023 3.678 2.070 1.00 0.00 O ATOM 1141 CB ALA B 31 3.176 5.041 -0.850 1.00 0.00 C ATOM 0 H ALA B 31 3.388 7.266 0.161 1.00 0.00 H new ATOM 0 HA ALA B 31 1.366 5.264 0.254 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.984 3.994 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.828 5.666 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.246 5.191 -0.709 1.00 0.00 H new ATOM 1147 N GLU B 32 3.952 4.817 2.284 1.00 0.00 N ATOM 1148 CA GLU B 32 4.275 4.069 3.513 1.00 0.00 C ATOM 1149 C GLU B 32 3.338 4.403 4.689 1.00 0.00 C ATOM 1150 O GLU B 32 3.060 3.542 5.529 1.00 0.00 O ATOM 1151 CB GLU B 32 5.738 4.171 3.923 1.00 0.00 C ATOM 1152 CG GLU B 32 6.163 5.529 4.478 1.00 0.00 C ATOM 1153 CD GLU B 32 7.579 5.457 5.084 1.00 0.00 C ATOM 1154 OE1 GLU B 32 8.571 5.385 4.318 1.00 0.00 O ATOM 1155 OE2 GLU B 32 7.707 5.455 6.333 1.00 0.00 O ATOM 0 H GLU B 32 4.642 5.508 1.989 1.00 0.00 H new ATOM 0 HA GLU B 32 4.099 3.026 3.250 1.00 0.00 H new ATOM 0 HB2 GLU B 32 5.942 3.409 4.675 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.359 3.939 3.057 1.00 0.00 H new ATOM 0 HG2 GLU B 32 6.141 6.274 3.683 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.453 5.854 5.239 1.00 0.00 H new ATOM 1162 N GLN B 33 2.800 5.630 4.750 1.00 0.00 N ATOM 1163 CA GLN B 33 1.804 5.977 5.765 1.00 0.00 C ATOM 1164 C GLN B 33 0.482 5.224 5.544 1.00 0.00 C ATOM 1165 O GLN B 33 -0.142 4.777 6.511 1.00 0.00 O ATOM 1166 CB GLN B 33 1.653 7.502 5.885 1.00 0.00 C ATOM 1167 CG GLN B 33 0.797 7.888 7.106 1.00 0.00 C ATOM 1168 CD GLN B 33 0.895 9.364 7.503 1.00 0.00 C ATOM 1169 OE1 GLN B 33 1.785 10.108 7.113 1.00 0.00 O ATOM 1170 NE2 GLN B 33 -0.012 9.846 8.328 1.00 0.00 N ATOM 0 H GLN B 33 3.038 6.390 4.113 1.00 0.00 H new ATOM 0 HA GLN B 33 2.160 5.637 6.738 1.00 0.00 H new ATOM 0 HB2 GLN B 33 2.638 7.961 5.970 1.00 0.00 H new ATOM 0 HB3 GLN B 33 1.194 7.896 4.978 1.00 0.00 H new ATOM 0 HG2 GLN B 33 -0.245 7.649 6.894 1.00 0.00 H new ATOM 0 HG3 GLN B 33 1.099 7.275 7.955 1.00 0.00 H new ATOM 0 HE21 GLN B 33 -0.764 9.245 8.667 1.00 0.00 H new ATOM 0 HE22 GLN B 33 0.037 10.820 8.628 1.00 0.00 H new ATOM 1179 N ILE B 34 0.104 4.960 4.287 1.00 0.00 N ATOM 1180 CA ILE B 34 -0.967 3.997 3.992 1.00 0.00 C ATOM 1181 C ILE B 34 -0.573 2.610 4.493 1.00 0.00 C ATOM 1182 O ILE B 34 -1.415 1.959 5.094 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.369 3.917 2.511 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.808 5.292 1.990 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.531 2.904 2.407 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -1.930 5.298 0.460 1.00 0.00 C ATOM 0 H ILE B 34 0.519 5.395 3.463 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.846 4.368 4.519 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.522 3.598 1.904 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.766 5.562 2.434 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -1.088 6.048 2.302 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.847 2.818 1.367 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.198 1.930 2.767 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.369 3.248 3.013 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.243 6.287 0.124 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -0.965 5.053 0.017 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.669 4.559 0.151 1.00 0.00 H new ATOM 1198 N ILE B 35 0.673 2.148 4.319 1.00 0.00 N ATOM 1199 CA ILE B 35 1.056 0.849 4.918 1.00 0.00 C ATOM 1200 C ILE B 35 0.859 0.805 6.429 1.00 0.00 C ATOM 1201 O ILE B 35 0.406 -0.211 6.955 1.00 0.00 O ATOM 1202 CB ILE B 35 2.476 0.379 4.536 1.00 0.00 C ATOM 1203 CG1 ILE B 35 2.348 -0.921 3.726 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.479 0.140 5.686 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.699 -2.117 4.425 1.00 0.00 C ATOM 0 H ILE B 35 1.407 2.623 3.795 1.00 0.00 H new ATOM 0 HA ILE B 35 0.360 0.137 4.474 1.00 0.00 H new ATOM 0 HB ILE B 35 2.900 1.214 3.978 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.774 -0.703 2.825 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.346 -1.218 3.404 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.434 -0.186 5.274 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.621 1.066 6.243 1.00 0.00 H new ATOM 0 HG23 ILE B 35 3.090 -0.629 6.354 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.672 -2.966 3.743 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.279 -2.380 5.309 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.683 -1.857 4.722 1.00 0.00 H new ATOM 1217 N SER B 36 1.141 1.913 7.110 1.00 0.00 N ATOM 1218 CA SER B 36 0.878 2.027 8.542 1.00 0.00 C ATOM 1219 C SER B 36 -0.618 1.874 8.803 1.00 0.00 C ATOM 1220 O SER B 36 -0.997 1.045 9.630 1.00 0.00 O ATOM 1221 CB SER B 36 1.421 3.344 9.104 1.00 0.00 C ATOM 1222 OG SER B 36 1.343 3.326 10.519 1.00 0.00 O ATOM 0 H SER B 36 1.553 2.747 6.692 1.00 0.00 H new ATOM 0 HA SER B 36 1.402 1.225 9.062 1.00 0.00 H new ATOM 0 HB2 SER B 36 2.455 3.487 8.789 1.00 0.00 H new ATOM 0 HB3 SER B 36 0.848 4.183 8.709 1.00 0.00 H new ATOM 0 HG SER B 36 1.692 4.169 10.877 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.484 2.552 8.034 1.00 0.00 N ATOM 1229 CA GLU B 37 -2.940 2.392 8.165 1.00 0.00 C ATOM 1230 C GLU B 37 -3.399 0.957 7.846 1.00 0.00 C ATOM 1231 O GLU B 37 -4.125 0.354 8.632 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.684 3.402 7.270 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.516 4.867 7.700 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.241 5.167 9.026 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -5.466 5.440 9.001 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -3.593 5.144 10.100 1.00 0.00 O ATOM 0 H GLU B 37 -1.200 3.217 7.314 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.189 2.591 9.207 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.329 3.293 6.245 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.746 3.155 7.268 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.455 5.094 7.808 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.904 5.521 6.919 1.00 0.00 H new ATOM 1243 N ILE B 38 -2.937 0.367 6.739 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.327 -0.976 6.275 1.00 0.00 C ATOM 1245 C ILE B 38 -2.929 -2.063 7.289 1.00 0.00 C ATOM 1246 O ILE B 38 -3.764 -2.842 7.773 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.722 -1.177 4.860 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.610 -0.439 3.829 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.534 -2.636 4.467 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.174 -0.582 2.362 1.00 0.00 C ATOM 0 H ILE B 38 -2.263 0.819 6.121 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.411 -1.066 6.201 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.717 -0.756 4.875 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.631 -0.808 3.924 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.629 0.621 4.083 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.107 -2.691 3.466 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.861 -3.120 5.175 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.499 -3.143 4.478 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.861 -0.028 1.722 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.166 -0.184 2.242 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.185 -1.635 2.080 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.663 -2.062 7.703 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.186 -3.007 8.704 1.00 0.00 C ATOM 1264 C GLN B 39 -1.888 -2.777 10.049 1.00 0.00 C ATOM 1265 O GLN B 39 -2.182 -3.742 10.752 1.00 0.00 O ATOM 1266 CB GLN B 39 0.335 -2.941 8.845 1.00 0.00 C ATOM 1267 CG GLN B 39 1.106 -3.657 7.713 1.00 0.00 C ATOM 1268 CD GLN B 39 2.474 -4.182 8.156 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.139 -3.653 9.038 1.00 0.00 O ATOM 1270 NE2 GLN B 39 2.942 -5.247 7.546 1.00 0.00 N ATOM 0 H GLN B 39 -0.952 -1.417 7.359 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.437 -4.013 8.367 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.641 -1.895 8.873 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.620 -3.383 9.800 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.507 -4.489 7.343 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.241 -2.967 6.880 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.396 -5.695 6.810 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.852 -5.626 7.808 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.253 -1.534 10.374 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.145 -1.242 11.507 1.00 0.00 C ATOM 1281 C ASN B 40 -4.597 -1.725 11.320 1.00 0.00 C ATOM 1282 O ASN B 40 -5.218 -2.066 12.325 1.00 0.00 O ATOM 1283 CB ASN B 40 -3.102 0.252 11.855 1.00 0.00 C ATOM 1284 CG ASN B 40 -2.009 0.555 12.863 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -2.141 0.264 14.045 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -0.902 1.119 12.446 1.00 0.00 N ATOM 0 H ASN B 40 -1.943 -0.706 9.866 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.758 -1.823 12.344 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -2.934 0.833 10.948 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -4.066 0.561 12.258 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -0.150 1.316 13.106 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -0.793 1.361 11.461 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.144 -1.832 10.102 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.445 -2.475 9.873 1.00 0.00 C ATOM 1295 C GLN B 41 -6.364 -3.978 10.130 1.00 0.00 C ATOM 1296 O GLN B 41 -7.315 -4.541 10.673 1.00 0.00 O ATOM 1297 CB GLN B 41 -7.005 -2.188 8.469 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.357 -0.705 8.280 1.00 0.00 C ATOM 1299 CD GLN B 41 -8.212 -0.416 7.045 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -8.559 -1.279 6.248 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -8.590 0.828 6.833 1.00 0.00 N ATOM 0 H GLN B 41 -4.702 -1.478 9.254 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.143 -2.038 10.587 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.272 -2.485 7.719 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.895 -2.795 8.303 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -7.887 -0.353 9.165 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.434 -0.130 8.212 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.313 1.563 7.483 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.160 1.056 6.018 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.227 -4.621 9.829 1.00 0.00 N ATOM 1311 CA LEU B 42 -5.024 -6.006 10.295 1.00 0.00 C ATOM 1312 C LEU B 42 -4.789 -6.103 11.819 1.00 0.00 C ATOM 1313 O LEU B 42 -5.386 -6.953 12.482 1.00 0.00 O ATOM 1314 CB LEU B 42 -3.970 -6.703 9.418 1.00 0.00 C ATOM 1315 CG LEU B 42 -3.891 -8.245 9.553 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.238 -8.813 8.298 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -3.021 -8.672 10.735 1.00 0.00 C ATOM 0 H LEU B 42 -4.459 -4.226 9.286 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.950 -6.566 10.162 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -4.174 -6.459 8.375 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.992 -6.286 9.658 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.906 -8.613 9.700 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.176 -9.898 8.379 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.835 -8.548 7.425 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.235 -8.399 8.191 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.994 -9.760 10.792 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.009 -8.290 10.599 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.439 -8.271 11.658 1.00 0.00 H new ATOM 1329 N GLN B 43 -3.964 -5.225 12.395 1.00 0.00 N ATOM 1330 CA GLN B 43 -3.491 -5.350 13.786 1.00 0.00 C ATOM 1331 C GLN B 43 -4.469 -4.843 14.867 1.00 0.00 C ATOM 1332 O GLN B 43 -4.621 -5.507 15.894 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.138 -4.630 13.941 1.00 0.00 C ATOM 1334 CG GLN B 43 -0.956 -5.378 13.302 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.524 -6.597 14.115 1.00 0.00 C ATOM 1336 OE1 GLN B 43 -0.751 -7.741 13.744 1.00 0.00 O ATOM 1337 NE2 GLN B 43 0.126 -6.413 15.244 1.00 0.00 N ATOM 0 H GLN B 43 -3.601 -4.403 11.913 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.398 -6.422 13.959 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -2.212 -3.639 13.494 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -1.933 -4.487 15.002 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -1.233 -5.696 12.297 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -0.112 -4.696 13.200 1.00 0.00 H new ATOM 0 HE21 GLN B 43 0.325 -5.467 15.570 1.00 0.00 H new ATOM 0 HE22 GLN B 43 0.431 -7.216 15.793 1.00 0.00 H new ATOM 1346 N ASN B 44 -5.089 -3.668 14.684 1.00 0.00 N ATOM 1347 CA ASN B 44 -5.727 -2.903 15.773 1.00 0.00 C ATOM 1348 C ASN B 44 -7.133 -2.355 15.447 1.00 0.00 C ATOM 1349 O ASN B 44 -7.984 -2.296 16.339 1.00 0.00 O ATOM 1350 CB ASN B 44 -4.795 -1.734 16.159 1.00 0.00 C ATOM 1351 CG ASN B 44 -3.443 -2.176 16.698 1.00 0.00 C ATOM 1352 OD1 ASN B 44 -3.345 -2.938 17.650 1.00 0.00 O ATOM 1353 ND2 ASN B 44 -2.353 -1.722 16.122 1.00 0.00 N ATOM 0 H ASN B 44 -5.164 -3.217 13.772 1.00 0.00 H new ATOM 0 HA ASN B 44 -5.874 -3.602 16.596 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -4.638 -1.103 15.284 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -5.291 -1.119 16.910 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -1.437 -2.005 16.469 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -2.423 -1.086 15.328 1.00 0.00 H new ATOM 1360 N LEU B 45 -7.382 -1.924 14.208 1.00 0.00 N ATOM 1361 CA LEU B 45 -8.620 -1.246 13.787 1.00 0.00 C ATOM 1362 C LEU B 45 -9.715 -2.244 13.351 1.00 0.00 C ATOM 1363 O LEU B 45 -9.434 -3.419 13.107 1.00 0.00 O ATOM 1364 CB LEU B 45 -8.286 -0.205 12.694 1.00 0.00 C ATOM 1365 CG LEU B 45 -7.832 1.175 13.209 1.00 0.00 C ATOM 1366 CD1 LEU B 45 -6.645 1.128 14.174 1.00 0.00 C ATOM 1367 CD2 LEU B 45 -7.436 2.044 12.013 1.00 0.00 C ATOM 0 H LEU B 45 -6.713 -2.038 13.446 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.043 -0.719 14.643 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.501 -0.612 12.057 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.167 -0.068 12.066 1.00 0.00 H new ATOM 0 HG LEU B 45 -8.677 1.584 13.763 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.391 2.140 14.487 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.910 0.533 15.048 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.788 0.677 13.675 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.113 3.023 12.366 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.620 1.566 11.471 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.293 2.162 11.349 1.00 0.00 H new ATOM 1379 N LYS B 46 -10.955 -1.739 13.259 1.00 0.00 N ATOM 1380 CA LYS B 46 -12.239 -2.422 12.973 1.00 0.00 C ATOM 1381 C LYS B 46 -12.429 -3.802 13.642 1.00 0.00 C ATOM 1382 O LYS B 46 -12.854 -3.808 14.820 1.00 0.00 O ATOM 1383 CB LYS B 46 -12.702 -2.250 11.500 1.00 0.00 C ATOM 1384 CG LYS B 46 -12.318 -3.262 10.402 1.00 0.00 C ATOM 1385 CD LYS B 46 -10.835 -3.302 9.993 1.00 0.00 C ATOM 1386 CE LYS B 46 -10.322 -4.745 9.889 1.00 0.00 C ATOM 1387 NZ LYS B 46 -10.134 -5.339 11.231 1.00 0.00 N ATOM 1388 OXT LYS B 46 -12.173 -4.858 13.022 1.00 0.00 O ATOM 0 H LYS B 46 -11.105 -0.739 13.396 1.00 0.00 H new ATOM 0 HA LYS B 46 -13.001 -1.872 13.525 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -13.791 -2.201 11.516 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -12.344 -1.275 11.169 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -12.606 -4.258 10.740 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -12.911 -3.043 9.514 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -10.706 -2.799 9.035 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -10.240 -2.754 10.723 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -11.029 -5.346 9.317 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -9.378 -4.761 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -9.661 -6.261 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -9.549 -4.706 11.812 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -11.060 -5.469 11.686 1.00 0.00 H new TER 1402 LYS B 46