USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 810 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 94 ASN : amide:sc= -1.9 K(o=-2.8,f=-10!) USER MOD Set 1.2: A 97 THR OG1 : rot -170:sc= -0.895 USER MOD Set 2.1: A 24 SER OG : rot -114:sc= 2.1 USER MOD Set 2.2: A 28 TYR OH : rot 180:sc= 1.17 USER MOD Set 2.3: A 81 ASN : amide:sc= -1.8! C(o=5.1!,f=-3.3!) USER MOD Set 2.4: A 83 TYR OH : rot -1:sc= 1.81 USER MOD Set 2.5: A 89 TYR OH : rot 179:sc= 0.349 USER MOD Set 2.6: A 92 THR OG1 : rot -41:sc= 1.51 USER MOD Set 3.1: A 20 GLN : amide:sc= -0.639 X(o=-0.64,f=-1) USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 75 ASN :FLIP amide:sc= -0.629 F(o=-2.5,f=-0.81) USER MOD Set 4.2: A 77 ASN : amide:sc= -0.18 K(o=-0.81,f=-2.5!) USER MOD Set 5.1: A 29 ASN : amide:sc= -16.4! C(o=-19!,f=-20!) USER MOD Set 5.2: A 72 ASN : amide:sc= -2.61 K(o=-19,f=-20) USER MOD Set 6.1: A 9 ASN : amide:sc= -1.38 K(o=-0.21,f=-5!) USER MOD Set 6.2: A 66 TYR OH : rot 19:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -164:sc= 0.515 USER MOD Single : A 10 MET CE :methyl 139:sc= -0.993 (180deg=-5.1!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.298 USER MOD Single : A 14 SER OG : rot -152:sc= 1.25 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.66) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.183 F(o=-1.2,f=-0.18) USER MOD Single : A 38 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc=-0.00272 F(o=-1.7,f=-0.0027) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -70:sc= -0.451 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 43:sc= -0.885! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -76:sc= -3.69! USER MOD Single : A 96 LYS NZ :NH3+ -114:sc= 0.0756 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.7!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot -30:sc= -3.44! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.941 15.677 -1.777 1.00 9.37 N ATOM 2 CA GLY A 1 -19.511 15.329 -3.154 1.00 8.59 C ATOM 3 C GLY A 1 -19.535 13.835 -3.398 1.00 7.91 C ATOM 4 O GLY A 1 -18.499 13.171 -3.340 1.00 8.10 O ATOM 0 H1 GLY A 1 -19.909 16.709 -1.654 1.00 9.37 H new ATOM 0 H2 GLY A 1 -20.912 15.339 -1.621 1.00 9.37 H new ATOM 0 H3 GLY A 1 -19.303 15.227 -1.090 1.00 9.37 H new ATOM 0 HA2 GLY A 1 -20.164 15.824 -3.873 1.00 8.59 H new ATOM 0 HA3 GLY A 1 -18.503 15.708 -3.325 1.00 8.59 H new ATOM 10 N HIS A 2 -20.720 13.301 -3.680 1.00 7.42 N ATOM 11 CA HIS A 2 -20.886 11.867 -3.892 1.00 7.06 C ATOM 12 C HIS A 2 -20.335 11.441 -5.247 1.00 6.29 C ATOM 13 O HIS A 2 -20.130 10.255 -5.493 1.00 6.27 O ATOM 14 CB HIS A 2 -22.358 11.465 -3.782 1.00 7.61 C ATOM 15 CG HIS A 2 -22.874 11.435 -2.377 1.00 7.99 C ATOM 16 ND1 HIS A 2 -23.734 12.382 -1.870 1.00 8.53 N ATOM 17 CD2 HIS A 2 -22.666 10.547 -1.375 1.00 8.23 C ATOM 18 CE1 HIS A 2 -24.033 12.081 -0.621 1.00 9.04 C ATOM 19 NE2 HIS A 2 -23.398 10.971 -0.295 1.00 8.89 N ATOM 0 H HIS A 2 -21.581 13.841 -3.767 1.00 7.42 H new ATOM 0 HA HIS A 2 -20.321 11.356 -3.112 1.00 7.06 H new ATOM 0 HB2 HIS A 2 -22.960 12.162 -4.365 1.00 7.61 H new ATOM 0 HB3 HIS A 2 -22.490 10.479 -4.228 1.00 7.61 H new ATOM 0 HD2 HIS A 2 -22.040 9.668 -1.418 1.00 8.23 H new ATOM 0 HE1 HIS A 2 -24.687 12.647 0.026 1.00 9.04 H new ATOM 0 HE2 HIS A 2 -23.444 10.505 0.611 1.00 8.89 H new ATOM 28 N MET A 3 -20.103 12.412 -6.125 1.00 6.00 N ATOM 29 CA MET A 3 -19.481 12.135 -7.416 1.00 5.58 C ATOM 30 C MET A 3 -18.017 11.763 -7.222 1.00 4.91 C ATOM 31 O MET A 3 -17.457 10.972 -7.982 1.00 5.15 O ATOM 32 CB MET A 3 -19.603 13.341 -8.349 1.00 6.12 C ATOM 33 CG MET A 3 -21.026 13.628 -8.792 1.00 6.74 C ATOM 34 SD MET A 3 -21.733 12.292 -9.776 1.00 7.54 S ATOM 35 CE MET A 3 -23.403 12.895 -9.999 1.00 8.13 C ATOM 0 H MET A 3 -20.335 13.393 -5.968 1.00 6.00 H new ATOM 0 HA MET A 3 -20.002 11.295 -7.876 1.00 5.58 H new ATOM 0 HB2 MET A 3 -19.204 14.221 -7.845 1.00 6.12 H new ATOM 0 HB3 MET A 3 -18.985 13.171 -9.230 1.00 6.12 H new ATOM 0 HG2 MET A 3 -21.649 13.795 -7.913 1.00 6.74 H new ATOM 0 HG3 MET A 3 -21.042 14.550 -9.374 1.00 6.74 H new ATOM 0 HE1 MET A 3 -23.973 12.178 -10.591 1.00 8.13 H new ATOM 0 HE2 MET A 3 -23.877 13.021 -9.026 1.00 8.13 H new ATOM 0 HE3 MET A 3 -23.378 13.854 -10.517 1.00 8.13 H new ATOM 45 N SER A 4 -17.407 12.325 -6.188 1.00 4.47 N ATOM 46 CA SER A 4 -16.033 12.005 -5.843 1.00 4.12 C ATOM 47 C SER A 4 -15.980 10.707 -5.039 1.00 2.93 C ATOM 48 O SER A 4 -15.774 10.722 -3.824 1.00 3.19 O ATOM 49 CB SER A 4 -15.409 13.151 -5.043 1.00 5.00 C ATOM 50 OG SER A 4 -15.471 14.372 -5.767 1.00 5.76 O ATOM 0 H SER A 4 -17.847 13.008 -5.572 1.00 4.47 H new ATOM 0 HA SER A 4 -15.463 11.870 -6.762 1.00 4.12 H new ATOM 0 HB2 SER A 4 -15.930 13.261 -4.092 1.00 5.00 H new ATOM 0 HB3 SER A 4 -14.371 12.914 -4.811 1.00 5.00 H new ATOM 0 HG SER A 4 -15.068 15.089 -5.234 1.00 5.76 H new ATOM 56 N ARG A 5 -16.182 9.588 -5.724 1.00 2.17 N ATOM 57 CA ARG A 5 -16.148 8.276 -5.085 1.00 1.45 C ATOM 58 C ARG A 5 -14.713 7.796 -4.936 1.00 1.37 C ATOM 59 O ARG A 5 -14.340 6.739 -5.447 1.00 2.25 O ATOM 60 CB ARG A 5 -16.949 7.261 -5.897 1.00 2.10 C ATOM 61 CG ARG A 5 -18.412 7.624 -6.061 1.00 2.57 C ATOM 62 CD ARG A 5 -19.120 6.639 -6.970 1.00 3.37 C ATOM 63 NE ARG A 5 -20.511 7.011 -7.206 1.00 3.96 N ATOM 64 CZ ARG A 5 -21.091 6.987 -8.405 1.00 4.93 C ATOM 65 NH1 ARG A 5 -20.391 6.652 -9.485 1.00 5.41 N1+ ATOM 66 NH2 ARG A 5 -22.370 7.318 -8.529 1.00 5.73 N ATOM 0 H ARG A 5 -16.372 9.562 -6.726 1.00 2.17 H new ATOM 0 HA ARG A 5 -16.597 8.369 -4.096 1.00 1.45 H new ATOM 0 HB2 ARG A 5 -16.497 7.161 -6.884 1.00 2.10 H new ATOM 0 HB3 ARG A 5 -16.878 6.287 -5.414 1.00 2.10 H new ATOM 0 HG2 ARG A 5 -18.898 7.638 -5.085 1.00 2.57 H new ATOM 0 HG3 ARG A 5 -18.496 8.630 -6.473 1.00 2.57 H new ATOM 0 HD2 ARG A 5 -18.594 6.583 -7.923 1.00 3.37 H new ATOM 0 HD3 ARG A 5 -19.082 5.644 -6.526 1.00 3.37 H new ATOM 0 HE ARG A 5 -21.072 7.306 -6.407 1.00 3.96 H new ATOM 0 HH11 ARG A 5 -19.404 6.411 -9.398 1.00 5.41 H new ATOM 0 HH12 ARG A 5 -20.842 6.636 -10.400 1.00 5.41 H new ATOM 0 HH21 ARG A 5 -22.908 7.591 -7.707 1.00 5.73 H new ATOM 0 HH22 ARG A 5 -22.815 7.300 -9.447 1.00 5.73 H new ATOM 80 N SER A 6 -13.919 8.573 -4.230 1.00 0.64 N ATOM 81 CA SER A 6 -12.506 8.293 -4.083 1.00 0.52 C ATOM 82 C SER A 6 -12.050 8.529 -2.650 1.00 0.51 C ATOM 83 O SER A 6 -11.807 9.660 -2.233 1.00 0.73 O ATOM 84 CB SER A 6 -11.725 9.169 -5.058 1.00 0.63 C ATOM 85 OG SER A 6 -12.327 10.448 -5.195 1.00 1.52 O ATOM 0 H SER A 6 -14.233 9.413 -3.744 1.00 0.64 H new ATOM 0 HA SER A 6 -12.319 7.244 -4.311 1.00 0.52 H new ATOM 0 HB2 SER A 6 -10.699 9.283 -4.707 1.00 0.63 H new ATOM 0 HB3 SER A 6 -11.677 8.681 -6.031 1.00 0.63 H new ATOM 0 HG SER A 6 -11.967 10.895 -5.989 1.00 1.52 H new ATOM 91 N GLU A 7 -11.948 7.446 -1.904 1.00 0.54 N ATOM 92 CA GLU A 7 -11.613 7.511 -0.495 1.00 0.53 C ATOM 93 C GLU A 7 -10.108 7.549 -0.243 1.00 0.44 C ATOM 94 O GLU A 7 -9.600 8.532 0.296 1.00 0.55 O ATOM 95 CB GLU A 7 -12.232 6.323 0.219 1.00 0.56 C ATOM 96 CG GLU A 7 -13.725 6.415 0.295 1.00 0.73 C ATOM 97 CD GLU A 7 -14.356 5.242 1.009 1.00 1.22 C ATOM 98 OE1 GLU A 7 -14.565 4.186 0.373 1.00 2.01 O ATOM 99 OE2 GLU A 7 -14.655 5.373 2.212 1.00 1.37 O1- ATOM 0 H GLU A 7 -12.094 6.500 -2.256 1.00 0.54 H new ATOM 0 HA GLU A 7 -12.017 8.445 -0.104 1.00 0.53 H new ATOM 0 HB2 GLU A 7 -11.953 5.406 -0.300 1.00 0.56 H new ATOM 0 HB3 GLU A 7 -11.823 6.256 1.227 1.00 0.56 H new ATOM 0 HG2 GLU A 7 -14.001 7.336 0.809 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -14.131 6.479 -0.715 1.00 0.73 H new ATOM 106 N VAL A 8 -9.397 6.493 -0.651 1.00 0.30 N ATOM 107 CA VAL A 8 -7.989 6.323 -0.299 1.00 0.24 C ATOM 108 C VAL A 8 -7.809 6.247 1.221 1.00 0.19 C ATOM 109 O VAL A 8 -7.676 7.267 1.898 1.00 0.28 O ATOM 110 CB VAL A 8 -7.103 7.459 -0.844 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.652 7.254 -0.437 1.00 0.31 C ATOM 112 CG2 VAL A 8 -7.226 7.574 -2.356 1.00 0.45 C ATOM 0 H VAL A 8 -9.778 5.742 -1.227 1.00 0.30 H new ATOM 0 HA VAL A 8 -7.674 5.387 -0.761 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.453 8.394 -0.407 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -5.045 8.068 -0.833 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.577 7.241 0.650 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.293 6.306 -0.837 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.590 8.384 -2.712 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.915 6.637 -2.819 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -8.262 7.783 -2.622 1.00 0.45 H new ATOM 122 N ASN A 9 -7.823 5.036 1.745 1.00 0.15 N ATOM 123 CA ASN A 9 -7.625 4.809 3.170 1.00 0.22 C ATOM 124 C ASN A 9 -6.990 3.438 3.409 1.00 0.16 C ATOM 125 O ASN A 9 -6.591 2.772 2.457 1.00 0.15 O ATOM 126 CB ASN A 9 -8.953 4.945 3.919 1.00 0.41 C ATOM 127 CG ASN A 9 -10.005 3.951 3.481 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.157 2.891 4.073 1.00 1.41 O ATOM 129 ND2 ASN A 9 -10.739 4.287 2.443 1.00 0.96 N ATOM 0 H ASN A 9 -7.971 4.185 1.202 1.00 0.15 H new ATOM 0 HA ASN A 9 -6.942 5.565 3.556 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -8.772 4.821 4.987 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.338 5.955 3.776 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -11.465 3.655 2.106 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -10.583 5.180 1.975 1.00 0.96 H new ATOM 136 N MET A 10 -6.890 3.021 4.669 1.00 0.15 N ATOM 137 CA MET A 10 -6.211 1.764 5.015 1.00 0.12 C ATOM 138 C MET A 10 -7.192 0.590 5.075 1.00 0.08 C ATOM 139 O MET A 10 -6.805 -0.577 5.095 1.00 0.09 O ATOM 140 CB MET A 10 -5.464 1.919 6.328 1.00 0.18 C ATOM 141 CG MET A 10 -4.479 3.074 6.310 1.00 0.39 C ATOM 142 SD MET A 10 -3.144 2.844 5.139 1.00 0.89 S ATOM 143 CE MET A 10 -2.298 4.399 5.304 1.00 0.24 C ATOM 0 H MET A 10 -7.267 3.530 5.469 1.00 0.15 H new ATOM 0 HA MET A 10 -5.492 1.540 4.228 1.00 0.12 H new ATOM 0 HB2 MET A 10 -6.182 2.072 7.134 1.00 0.18 H new ATOM 0 HB3 MET A 10 -4.930 0.995 6.548 1.00 0.18 H new ATOM 0 HG2 MET A 10 -5.012 3.994 6.068 1.00 0.39 H new ATOM 0 HG3 MET A 10 -4.060 3.202 7.308 1.00 0.39 H new ATOM 0 HE1 MET A 10 -1.221 4.230 5.298 1.00 0.24 H new ATOM 0 HE2 MET A 10 -2.568 5.050 4.473 1.00 0.24 H new ATOM 0 HE3 MET A 10 -2.585 4.872 6.243 1.00 0.24 H new ATOM 153 N GLY A 11 -8.449 0.966 5.107 1.00 0.10 N ATOM 154 CA GLY A 11 -9.623 0.090 5.003 1.00 0.10 C ATOM 155 C GLY A 11 -9.854 -0.884 6.144 1.00 0.08 C ATOM 156 O GLY A 11 -11.004 -1.114 6.523 1.00 0.10 O ATOM 0 H GLY A 11 -8.709 1.947 5.212 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.508 0.719 4.909 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.539 -0.483 4.079 1.00 0.10 H new ATOM 160 N LEU A 12 -8.805 -1.436 6.709 1.00 0.07 N ATOM 161 CA LEU A 12 -8.905 -2.182 7.938 1.00 0.07 C ATOM 162 C LEU A 12 -7.982 -1.597 8.972 1.00 0.08 C ATOM 163 O LEU A 12 -7.195 -0.693 8.687 1.00 0.09 O ATOM 164 CB LEU A 12 -8.617 -3.660 7.719 1.00 0.08 C ATOM 165 CG LEU A 12 -9.541 -4.379 6.732 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.182 -5.846 6.657 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.003 -4.233 7.109 1.00 0.11 C ATOM 0 H LEU A 12 -7.860 -1.380 6.329 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.930 -2.106 8.302 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.590 -3.763 7.368 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.677 -4.169 8.681 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.399 -3.912 5.757 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.845 -6.347 5.952 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.150 -5.951 6.322 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.291 -6.298 7.643 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.621 -4.759 6.381 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.168 -4.658 8.099 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.273 -3.177 7.118 1.00 0.11 H new ATOM 179 N SER A 13 -8.096 -2.104 10.168 1.00 0.10 N ATOM 180 CA SER A 13 -7.217 -1.728 11.240 1.00 0.12 C ATOM 181 C SER A 13 -6.112 -2.762 11.395 1.00 0.13 C ATOM 182 O SER A 13 -6.375 -3.936 11.671 1.00 0.16 O ATOM 183 CB SER A 13 -8.034 -1.592 12.516 1.00 0.15 C ATOM 184 OG SER A 13 -7.230 -1.694 13.679 1.00 1.20 O ATOM 0 H SER A 13 -8.803 -2.792 10.428 1.00 0.10 H new ATOM 0 HA SER A 13 -6.742 -0.771 11.022 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.549 -0.631 12.515 1.00 0.15 H new ATOM 0 HB3 SER A 13 -8.802 -2.365 12.538 1.00 0.15 H new ATOM 0 HG SER A 13 -7.793 -1.600 14.475 1.00 1.20 H new ATOM 190 N SER A 14 -4.873 -2.323 11.209 1.00 0.13 N ATOM 191 CA SER A 14 -3.716 -3.191 11.361 1.00 0.14 C ATOM 192 C SER A 14 -3.341 -3.311 12.838 1.00 0.17 C ATOM 193 O SER A 14 -2.267 -3.799 13.193 1.00 0.19 O ATOM 194 CB SER A 14 -2.539 -2.637 10.554 1.00 0.16 C ATOM 195 OG SER A 14 -2.234 -1.308 10.944 1.00 0.20 O ATOM 0 H SER A 14 -4.645 -1.363 10.951 1.00 0.13 H new ATOM 0 HA SER A 14 -3.963 -4.183 10.984 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.664 -3.271 10.698 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.779 -2.662 9.491 1.00 0.16 H new ATOM 0 HG SER A 14 -1.839 -0.827 10.187 1.00 0.20 H new ATOM 201 N ALA A 15 -4.239 -2.869 13.695 1.00 0.21 N ATOM 202 CA ALA A 15 -4.022 -2.937 15.121 1.00 0.26 C ATOM 203 C ALA A 15 -4.427 -4.305 15.654 1.00 0.28 C ATOM 204 O ALA A 15 -5.615 -4.602 15.791 1.00 0.35 O ATOM 205 CB ALA A 15 -4.801 -1.831 15.806 1.00 0.32 C ATOM 0 H ALA A 15 -5.131 -2.456 13.423 1.00 0.21 H new ATOM 0 HA ALA A 15 -2.962 -2.798 15.333 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.637 -1.883 16.882 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.463 -0.864 15.434 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.864 -1.950 15.595 1.00 0.32 H new ATOM 211 N GLY A 16 -3.435 -5.140 15.928 1.00 0.27 N ATOM 212 CA GLY A 16 -3.698 -6.478 16.418 1.00 0.31 C ATOM 213 C GLY A 16 -3.535 -7.522 15.333 1.00 0.26 C ATOM 214 O GLY A 16 -3.601 -8.722 15.597 1.00 0.31 O ATOM 0 H GLY A 16 -2.447 -4.913 15.819 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -3.020 -6.702 17.242 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.711 -6.525 16.817 1.00 0.31 H new ATOM 218 N VAL A 17 -3.326 -7.057 14.111 1.00 0.19 N ATOM 219 CA VAL A 17 -3.157 -7.927 12.967 1.00 0.15 C ATOM 220 C VAL A 17 -1.750 -8.471 12.882 1.00 0.15 C ATOM 221 O VAL A 17 -0.798 -7.881 13.401 1.00 0.18 O ATOM 222 CB VAL A 17 -3.489 -7.178 11.663 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.426 -6.150 11.346 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.639 -8.138 10.512 1.00 0.11 C ATOM 0 H VAL A 17 -3.269 -6.063 13.889 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.845 -8.763 13.096 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.438 -6.663 11.810 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.683 -5.634 10.421 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.365 -5.427 12.159 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.463 -6.647 11.229 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.873 -7.583 9.604 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.708 -8.687 10.372 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.445 -8.840 10.726 1.00 0.11 H new ATOM 234 N ALA A 18 -1.637 -9.611 12.239 1.00 0.14 N ATOM 235 CA ALA A 18 -0.356 -10.201 11.988 1.00 0.14 C ATOM 236 C ALA A 18 0.104 -9.860 10.583 1.00 0.13 C ATOM 237 O ALA A 18 0.108 -10.695 9.678 1.00 0.13 O ATOM 238 CB ALA A 18 -0.440 -11.695 12.196 1.00 0.16 C ATOM 0 H ALA A 18 -2.428 -10.146 11.881 1.00 0.14 H new ATOM 0 HA ALA A 18 0.380 -9.800 12.685 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.535 -12.144 12.005 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.741 -11.903 13.223 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.175 -12.117 11.510 1.00 0.16 H new ATOM 244 N VAL A 19 0.529 -8.625 10.433 1.00 0.12 N ATOM 245 CA VAL A 19 0.910 -8.088 9.139 1.00 0.11 C ATOM 246 C VAL A 19 2.358 -8.394 8.789 1.00 0.11 C ATOM 247 O VAL A 19 3.261 -8.237 9.613 1.00 0.12 O ATOM 248 CB VAL A 19 0.642 -6.568 9.070 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.898 -5.923 10.407 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.490 -5.906 8.006 1.00 0.11 C ATOM 0 H VAL A 19 0.621 -7.962 11.203 1.00 0.12 H new ATOM 0 HA VAL A 19 0.287 -8.586 8.396 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.406 -6.431 8.804 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.704 -4.853 10.338 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.240 -6.364 11.156 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.936 -6.085 10.696 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.277 -4.837 7.984 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.545 -6.061 8.233 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.260 -6.342 7.034 1.00 0.11 H new ATOM 260 N GLN A 20 2.562 -8.833 7.549 1.00 0.09 N ATOM 261 CA GLN A 20 3.881 -9.167 7.076 1.00 0.10 C ATOM 262 C GLN A 20 4.623 -7.913 6.650 1.00 0.10 C ATOM 263 O GLN A 20 4.444 -7.411 5.546 1.00 0.11 O ATOM 264 CB GLN A 20 3.777 -10.135 5.904 1.00 0.11 C ATOM 265 CG GLN A 20 2.928 -11.358 6.197 1.00 0.13 C ATOM 266 CD GLN A 20 2.978 -12.386 5.095 1.00 0.24 C ATOM 267 OE1 GLN A 20 3.967 -12.502 4.373 1.00 0.66 O ATOM 268 NE2 GLN A 20 1.910 -13.150 4.967 1.00 0.48 N ATOM 0 H GLN A 20 1.821 -8.962 6.860 1.00 0.09 H new ATOM 0 HA GLN A 20 4.436 -9.641 7.885 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.358 -9.609 5.046 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.779 -10.458 5.621 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.266 -11.814 7.128 1.00 0.13 H new ATOM 0 HG3 GLN A 20 1.894 -11.048 6.351 1.00 0.13 H new ATOM 0 HE21 GLN A 20 1.112 -13.019 5.588 1.00 0.48 H new ATOM 0 HE22 GLN A 20 1.883 -13.872 4.247 1.00 0.48 H new ATOM 277 N ARG A 21 5.504 -7.454 7.512 1.00 0.10 N ATOM 278 CA ARG A 21 6.285 -6.265 7.242 1.00 0.12 C ATOM 279 C ARG A 21 7.619 -6.628 6.617 1.00 0.14 C ATOM 280 O ARG A 21 8.138 -5.904 5.771 1.00 0.16 O ATOM 281 CB ARG A 21 6.513 -5.502 8.536 1.00 0.13 C ATOM 282 CG ARG A 21 5.254 -5.350 9.362 1.00 0.16 C ATOM 283 CD ARG A 21 5.100 -3.928 9.842 1.00 0.33 C ATOM 284 NE ARG A 21 3.910 -3.738 10.664 1.00 0.40 N ATOM 285 CZ ARG A 21 3.487 -2.549 11.087 1.00 0.58 C ATOM 286 NH1 ARG A 21 4.166 -1.450 10.780 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 2.394 -2.460 11.825 1.00 0.62 N ATOM 0 H ARG A 21 5.699 -7.890 8.413 1.00 0.10 H new ATOM 0 HA ARG A 21 5.735 -5.639 6.539 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.269 -6.018 9.128 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.910 -4.514 8.304 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.386 -5.634 8.767 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.290 -6.026 10.217 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.982 -3.645 10.416 1.00 0.33 H new ATOM 0 HD3 ARG A 21 5.052 -3.261 8.981 1.00 0.33 H new ATOM 0 HE ARG A 21 3.372 -4.563 10.930 1.00 0.40 H new ATOM 0 HH11 ARG A 21 5.015 -1.515 10.218 1.00 0.84 H new ATOM 0 HH12 ARG A 21 3.839 -0.541 11.106 1.00 0.84 H new ATOM 0 HH21 ARG A 21 1.874 -3.303 12.071 1.00 0.62 H new ATOM 0 HH22 ARG A 21 2.070 -1.549 12.149 1.00 0.62 H new ATOM 301 N SER A 22 8.160 -7.765 7.027 1.00 0.18 N ATOM 302 CA SER A 22 9.427 -8.240 6.500 1.00 0.21 C ATOM 303 C SER A 22 9.261 -8.685 5.052 1.00 0.19 C ATOM 304 O SER A 22 10.232 -8.839 4.313 1.00 0.28 O ATOM 305 CB SER A 22 9.942 -9.393 7.349 1.00 0.28 C ATOM 306 OG SER A 22 10.023 -9.022 8.719 1.00 0.89 O ATOM 0 H SER A 22 7.738 -8.377 7.726 1.00 0.18 H new ATOM 0 HA SER A 22 10.151 -7.426 6.533 1.00 0.21 H new ATOM 0 HB2 SER A 22 9.281 -10.253 7.240 1.00 0.28 H new ATOM 0 HB3 SER A 22 10.925 -9.700 6.993 1.00 0.28 H new ATOM 0 HG SER A 22 10.355 -9.780 9.244 1.00 0.89 H new ATOM 312 N ALA A 23 8.012 -8.873 4.658 1.00 0.14 N ATOM 313 CA ALA A 23 7.678 -9.316 3.318 1.00 0.14 C ATOM 314 C ALA A 23 7.552 -8.135 2.359 1.00 0.13 C ATOM 315 O ALA A 23 7.234 -8.308 1.184 1.00 0.17 O ATOM 316 CB ALA A 23 6.382 -10.109 3.363 1.00 0.17 C ATOM 0 H ALA A 23 7.202 -8.722 5.260 1.00 0.14 H new ATOM 0 HA ALA A 23 8.482 -9.952 2.947 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.126 -10.445 2.358 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.507 -10.974 4.014 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.582 -9.477 3.749 1.00 0.17 H new ATOM 322 N SER A 24 7.817 -6.940 2.868 1.00 0.14 N ATOM 323 CA SER A 24 7.664 -5.717 2.094 1.00 0.15 C ATOM 324 C SER A 24 8.791 -5.540 1.081 1.00 0.15 C ATOM 325 O SER A 24 9.947 -5.877 1.346 1.00 0.26 O ATOM 326 CB SER A 24 7.611 -4.513 3.039 1.00 0.17 C ATOM 327 OG SER A 24 7.583 -3.289 2.327 1.00 0.21 O ATOM 0 H SER A 24 8.142 -6.792 3.823 1.00 0.14 H new ATOM 0 HA SER A 24 6.731 -5.788 1.535 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.727 -4.586 3.672 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.478 -4.530 3.699 1.00 0.17 H new ATOM 0 HG SER A 24 8.406 -2.788 2.505 1.00 0.21 H new ATOM 333 N ARG A 25 8.430 -5.004 -0.082 1.00 0.12 N ATOM 334 CA ARG A 25 9.377 -4.728 -1.148 1.00 0.12 C ATOM 335 C ARG A 25 10.124 -3.426 -0.917 1.00 0.13 C ATOM 336 O ARG A 25 11.193 -3.204 -1.490 1.00 0.18 O ATOM 337 CB ARG A 25 8.645 -4.658 -2.476 1.00 0.17 C ATOM 338 CG ARG A 25 8.657 -5.967 -3.229 1.00 0.27 C ATOM 339 CD ARG A 25 10.078 -6.393 -3.544 1.00 0.41 C ATOM 340 NE ARG A 25 10.128 -7.390 -4.611 1.00 1.10 N ATOM 341 CZ ARG A 25 11.092 -8.303 -4.735 1.00 1.31 C ATOM 342 NH1 ARG A 25 12.090 -8.350 -3.860 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 11.055 -9.169 -5.735 1.00 2.10 N ATOM 0 H ARG A 25 7.468 -4.750 -0.308 1.00 0.12 H new ATOM 0 HA ARG A 25 10.106 -5.538 -1.161 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.612 -4.357 -2.299 1.00 0.17 H new ATOM 0 HB3 ARG A 25 9.101 -3.885 -3.095 1.00 0.17 H new ATOM 0 HG2 ARG A 25 8.164 -6.738 -2.636 1.00 0.27 H new ATOM 0 HG3 ARG A 25 8.089 -5.865 -4.154 1.00 0.27 H new ATOM 0 HD2 ARG A 25 10.662 -5.520 -3.836 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.542 -6.800 -2.646 1.00 0.41 H new ATOM 0 HE ARG A 25 9.379 -7.387 -5.304 1.00 1.10 H new ATOM 0 HH11 ARG A 25 12.122 -7.685 -3.087 1.00 1.30 H new ATOM 0 HH12 ARG A 25 12.824 -9.051 -3.961 1.00 1.30 H new ATOM 0 HH21 ARG A 25 10.290 -9.137 -6.409 1.00 2.10 H new ATOM 0 HH22 ARG A 25 11.791 -9.868 -5.832 1.00 2.10 H new ATOM 357 N VAL A 26 9.555 -2.567 -0.094 1.00 0.12 N ATOM 358 CA VAL A 26 10.125 -1.252 0.136 1.00 0.12 C ATOM 359 C VAL A 26 10.320 -1.025 1.631 1.00 0.13 C ATOM 360 O VAL A 26 9.603 -1.603 2.450 1.00 0.13 O ATOM 361 CB VAL A 26 9.225 -0.154 -0.479 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.856 1.217 -0.338 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.950 -0.456 -1.945 1.00 0.12 C ATOM 0 H VAL A 26 8.698 -2.755 0.427 1.00 0.12 H new ATOM 0 HA VAL A 26 11.098 -1.198 -0.352 1.00 0.12 H new ATOM 0 HB VAL A 26 8.282 -0.150 0.067 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.200 1.967 -0.780 1.00 0.11 H new ATOM 0 HG12 VAL A 26 10.005 1.442 0.718 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.818 1.229 -0.851 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.316 0.325 -2.365 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.892 -0.491 -2.492 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.445 -1.418 -2.030 1.00 0.12 H new ATOM 373 N ALA A 27 11.309 -0.212 1.984 1.00 0.13 N ATOM 374 CA ALA A 27 11.687 -0.033 3.378 1.00 0.13 C ATOM 375 C ALA A 27 10.647 0.730 4.185 1.00 0.12 C ATOM 376 O ALA A 27 10.177 1.788 3.796 1.00 0.11 O ATOM 377 CB ALA A 27 13.025 0.660 3.499 1.00 0.14 C ATOM 0 H ALA A 27 11.863 0.333 1.323 1.00 0.13 H new ATOM 0 HA ALA A 27 11.757 -1.038 3.795 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.279 0.779 4.552 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.791 0.061 3.006 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.971 1.640 3.026 1.00 0.14 H new ATOM 383 N TYR A 28 10.359 0.175 5.333 1.00 0.13 N ATOM 384 CA TYR A 28 9.430 0.681 6.321 1.00 0.13 C ATOM 385 C TYR A 28 9.922 1.934 7.030 1.00 0.13 C ATOM 386 O TYR A 28 9.841 2.009 8.257 1.00 0.16 O ATOM 387 CB TYR A 28 9.078 -0.405 7.317 1.00 0.15 C ATOM 388 CG TYR A 28 7.652 -0.875 7.175 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.609 -0.204 7.797 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.355 -2.008 6.430 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.307 -0.651 7.678 1.00 0.14 C ATOM 392 CE2 TYR A 28 6.058 -2.460 6.306 1.00 0.14 C ATOM 393 CZ TYR A 28 5.016 -1.701 6.894 1.00 0.14 C ATOM 394 OH TYR A 28 3.744 -2.225 6.809 1.00 0.16 O ATOM 0 H TYR A 28 10.793 -0.700 5.626 1.00 0.13 H new ATOM 0 HA TYR A 28 8.531 0.979 5.780 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.752 -1.251 7.181 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.235 -0.031 8.329 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.818 0.680 8.382 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.153 -2.545 5.939 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.517 -0.152 8.220 1.00 0.14 H new ATOM 0 HE2 TYR A 28 5.841 -3.373 5.772 1.00 0.14 H new ATOM 0 HH TYR A 28 3.743 -2.982 6.186 1.00 0.16 H new ATOM 404 N ASN A 29 10.460 2.896 6.289 1.00 0.13 N ATOM 405 CA ASN A 29 11.348 3.903 6.867 1.00 0.15 C ATOM 406 C ASN A 29 10.575 4.833 7.798 1.00 0.15 C ATOM 407 O ASN A 29 9.944 5.797 7.391 1.00 0.14 O ATOM 408 CB ASN A 29 12.038 4.743 5.755 1.00 0.15 C ATOM 409 CG ASN A 29 11.110 5.370 4.718 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.563 5.835 3.676 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.819 5.394 4.978 1.00 0.12 N ATOM 0 H ASN A 29 10.298 3.002 5.287 1.00 0.13 H new ATOM 0 HA ASN A 29 12.113 3.377 7.438 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.610 5.540 6.231 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.753 4.105 5.235 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.171 5.805 4.306 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.467 5.001 5.851 1.00 0.12 H new ATOM 418 N GLN A 30 10.650 4.533 9.084 1.00 0.18 N ATOM 419 CA GLN A 30 9.823 5.207 10.063 1.00 0.19 C ATOM 420 C GLN A 30 10.110 6.706 10.085 1.00 0.21 C ATOM 421 O GLN A 30 9.295 7.493 10.548 1.00 0.24 O ATOM 422 CB GLN A 30 10.017 4.600 11.451 1.00 0.23 C ATOM 423 CG GLN A 30 8.941 5.021 12.422 1.00 0.26 C ATOM 424 CD GLN A 30 7.575 4.508 12.045 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.426 3.423 11.484 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.576 5.314 12.321 1.00 0.29 N ATOM 0 H GLN A 30 11.276 3.827 9.471 1.00 0.18 H new ATOM 0 HA GLN A 30 8.782 5.067 9.773 1.00 0.19 H new ATOM 0 HB2 GLN A 30 10.024 3.513 11.371 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.990 4.897 11.841 1.00 0.23 H new ATOM 0 HG2 GLN A 30 9.197 4.660 13.418 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.913 6.109 12.475 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.752 6.204 12.788 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.623 5.051 12.069 1.00 0.29 H new ATOM 435 N SER A 31 11.249 7.093 9.539 1.00 0.20 N ATOM 436 CA SER A 31 11.611 8.496 9.456 1.00 0.21 C ATOM 437 C SER A 31 10.838 9.189 8.340 1.00 0.21 C ATOM 438 O SER A 31 10.483 10.354 8.470 1.00 0.30 O ATOM 439 CB SER A 31 13.115 8.649 9.240 1.00 0.23 C ATOM 440 OG SER A 31 13.841 8.064 10.308 1.00 1.11 O ATOM 0 H SER A 31 11.940 6.454 9.146 1.00 0.20 H new ATOM 0 HA SER A 31 11.347 8.972 10.400 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.401 8.178 8.299 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.369 9.706 9.158 1.00 0.23 H new ATOM 0 HG SER A 31 14.802 8.172 10.148 1.00 1.11 H new ATOM 446 N ALA A 32 10.555 8.468 7.252 1.00 0.15 N ATOM 447 CA ALA A 32 9.724 9.015 6.186 1.00 0.14 C ATOM 448 C ALA A 32 8.275 8.798 6.546 1.00 0.14 C ATOM 449 O ALA A 32 7.406 9.597 6.210 1.00 0.15 O ATOM 450 CB ALA A 32 10.033 8.379 4.834 1.00 0.12 C ATOM 0 H ALA A 32 10.886 7.517 7.090 1.00 0.15 H new ATOM 0 HA ALA A 32 9.938 10.080 6.091 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.390 8.817 4.070 1.00 0.12 H new ATOM 0 HB2 ALA A 32 11.077 8.560 4.577 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.853 7.305 4.887 1.00 0.12 H new ATOM 456 N ILE A 33 8.039 7.710 7.268 1.00 0.14 N ATOM 457 CA ILE A 33 6.711 7.357 7.737 1.00 0.16 C ATOM 458 C ILE A 33 6.197 8.422 8.690 1.00 0.19 C ATOM 459 O ILE A 33 5.049 8.858 8.614 1.00 0.22 O ATOM 460 CB ILE A 33 6.729 6.001 8.455 1.00 0.16 C ATOM 461 CG1 ILE A 33 7.035 4.873 7.469 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.418 5.756 9.166 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.154 3.508 8.118 1.00 0.15 C ATOM 0 H ILE A 33 8.765 7.049 7.544 1.00 0.14 H new ATOM 0 HA ILE A 33 6.052 7.289 6.871 1.00 0.16 H new ATOM 0 HB ILE A 33 7.521 6.020 9.204 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.249 4.839 6.715 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.966 5.100 6.949 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.452 4.789 9.669 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.251 6.542 9.902 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.604 5.760 8.441 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.372 2.760 7.355 1.00 0.15 H new ATOM 0 HD12 ILE A 33 7.960 3.523 8.852 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.216 3.258 8.614 1.00 0.15 H new ATOM 475 N ASP A 34 7.083 8.849 9.573 1.00 0.20 N ATOM 476 CA ASP A 34 6.770 9.856 10.560 1.00 0.24 C ATOM 477 C ASP A 34 6.882 11.231 9.928 1.00 0.25 C ATOM 478 O ASP A 34 6.426 12.238 10.467 1.00 0.29 O ATOM 479 CB ASP A 34 7.734 9.711 11.735 1.00 0.26 C ATOM 480 CG ASP A 34 7.557 10.773 12.799 1.00 0.78 C ATOM 481 OD1 ASP A 34 6.661 10.621 13.660 1.00 1.54 O ATOM 482 OD2 ASP A 34 8.322 11.757 12.793 1.00 1.41 O1- ATOM 0 H ASP A 34 8.041 8.503 9.622 1.00 0.20 H new ATOM 0 HA ASP A 34 5.751 9.730 10.925 1.00 0.24 H new ATOM 0 HB2 ASP A 34 7.597 8.729 12.187 1.00 0.26 H new ATOM 0 HB3 ASP A 34 8.757 9.750 11.361 1.00 0.26 H new ATOM 487 N ASP A 35 7.472 11.237 8.745 1.00 0.22 N ATOM 488 CA ASP A 35 7.625 12.437 7.940 1.00 0.24 C ATOM 489 C ASP A 35 6.367 12.639 7.107 1.00 0.24 C ATOM 490 O ASP A 35 6.364 13.363 6.116 1.00 0.25 O ATOM 491 CB ASP A 35 8.857 12.326 7.050 1.00 0.23 C ATOM 492 CG ASP A 35 9.395 13.673 6.619 1.00 0.29 C ATOM 493 OD1 ASP A 35 9.419 13.944 5.396 1.00 0.49 O ATOM 494 OD2 ASP A 35 9.770 14.478 7.491 1.00 0.48 O1- ATOM 0 H ASP A 35 7.862 10.400 8.312 1.00 0.22 H new ATOM 0 HA ASP A 35 7.764 13.300 8.591 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.637 11.783 7.584 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.608 11.740 6.165 1.00 0.23 H new ATOM 499 N SER A 36 5.330 11.905 7.508 1.00 0.25 N ATOM 500 CA SER A 36 4.015 11.847 6.861 1.00 0.27 C ATOM 501 C SER A 36 3.543 13.168 6.233 1.00 0.30 C ATOM 502 O SER A 36 2.806 13.157 5.244 1.00 0.37 O ATOM 503 CB SER A 36 3.007 11.371 7.903 1.00 0.35 C ATOM 504 OG SER A 36 3.068 12.179 9.065 1.00 1.47 O ATOM 0 H SER A 36 5.384 11.305 8.331 1.00 0.25 H new ATOM 0 HA SER A 36 4.099 11.158 6.021 1.00 0.27 H new ATOM 0 HB2 SER A 36 2.001 11.403 7.484 1.00 0.35 H new ATOM 0 HB3 SER A 36 3.210 10.333 8.165 1.00 0.35 H new ATOM 0 HG SER A 36 2.413 11.859 9.720 1.00 1.47 H new ATOM 510 N ASN A 37 3.967 14.294 6.783 1.00 0.29 N ATOM 511 CA ASN A 37 3.567 15.597 6.260 1.00 0.31 C ATOM 512 C ASN A 37 4.192 15.879 4.888 1.00 0.30 C ATOM 513 O ASN A 37 3.946 16.928 4.288 1.00 0.34 O ATOM 514 CB ASN A 37 3.953 16.707 7.245 1.00 0.34 C ATOM 515 CG ASN A 37 5.440 17.058 7.241 1.00 0.49 C ATOM 516 OD1 ASN A 37 6.309 16.115 6.889 1.00 0.97 O flip ATOM 517 ND2 ASN A 37 5.807 18.190 7.545 1.00 0.30 N flip ATOM 0 H ASN A 37 4.588 14.336 7.591 1.00 0.29 H new ATOM 0 HA ASN A 37 2.484 15.579 6.137 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.379 17.603 7.009 1.00 0.34 H new ATOM 0 HB3 ASN A 37 3.666 16.401 8.251 1.00 0.34 H new ATOM 0 HD21 ASN A 37 5.119 18.895 7.811 1.00 0.30 H new ATOM 0 HD22 ASN A 37 6.799 18.425 7.531 1.00 0.30 H new ATOM 524 N ASN A 38 5.005 14.940 4.405 1.00 0.26 N ATOM 525 CA ASN A 38 5.696 15.059 3.139 1.00 0.28 C ATOM 526 C ASN A 38 4.751 15.302 1.982 1.00 0.36 C ATOM 527 O ASN A 38 5.107 15.944 0.996 1.00 0.82 O ATOM 528 CB ASN A 38 6.436 13.762 2.888 1.00 0.21 C ATOM 529 CG ASN A 38 7.704 13.981 2.134 1.00 0.23 C ATOM 530 OD1 ASN A 38 7.749 13.951 0.907 1.00 0.25 O ATOM 531 ND2 ASN A 38 8.735 14.204 2.887 1.00 0.25 N ATOM 0 H ASN A 38 5.199 14.067 4.895 1.00 0.26 H new ATOM 0 HA ASN A 38 6.370 15.914 3.200 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.659 13.281 3.841 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.795 13.081 2.329 1.00 0.21 H new ATOM 0 HD21 ASN A 38 9.649 14.367 2.465 1.00 0.25 H new ATOM 0 HD22 ASN A 38 8.632 14.216 3.902 1.00 0.25 H new ATOM 538 N SER A 39 3.550 14.752 2.117 1.00 0.29 N ATOM 539 CA SER A 39 2.588 14.672 1.028 1.00 0.31 C ATOM 540 C SER A 39 3.102 13.738 -0.060 1.00 0.21 C ATOM 541 O SER A 39 2.423 13.511 -1.057 1.00 0.21 O ATOM 542 CB SER A 39 2.265 16.041 0.450 1.00 0.43 C ATOM 543 OG SER A 39 1.970 16.971 1.479 1.00 1.39 O ATOM 0 H SER A 39 3.216 14.347 2.991 1.00 0.29 H new ATOM 0 HA SER A 39 1.661 14.269 1.436 1.00 0.31 H new ATOM 0 HB2 SER A 39 3.110 16.400 -0.138 1.00 0.43 H new ATOM 0 HB3 SER A 39 1.415 15.962 -0.228 1.00 0.43 H new ATOM 0 HG SER A 39 1.767 17.844 1.083 1.00 1.39 H new ATOM 549 N ALA A 40 4.303 13.169 0.152 1.00 0.15 N ATOM 550 CA ALA A 40 4.752 12.034 -0.626 1.00 0.12 C ATOM 551 C ALA A 40 3.775 10.904 -0.410 1.00 0.11 C ATOM 552 O ALA A 40 3.713 9.964 -1.172 1.00 0.14 O ATOM 553 CB ALA A 40 6.151 11.606 -0.207 1.00 0.10 C ATOM 0 H ALA A 40 4.968 13.487 0.857 1.00 0.15 H new ATOM 0 HA ALA A 40 4.794 12.305 -1.681 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.465 10.752 -0.807 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.845 12.432 -0.361 1.00 0.10 H new ATOM 0 HB3 ALA A 40 6.146 11.327 0.847 1.00 0.10 H new ATOM 559 N TRP A 41 3.008 11.054 0.655 1.00 0.10 N ATOM 560 CA TRP A 41 2.044 10.074 1.091 1.00 0.10 C ATOM 561 C TRP A 41 0.674 10.291 0.454 1.00 0.12 C ATOM 562 O TRP A 41 -0.184 9.409 0.500 1.00 0.15 O ATOM 563 CB TRP A 41 1.931 10.175 2.602 1.00 0.10 C ATOM 564 CG TRP A 41 3.214 9.877 3.299 1.00 0.10 C ATOM 565 CD1 TRP A 41 4.041 10.776 3.898 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.833 8.600 3.448 1.00 0.09 C ATOM 567 NE1 TRP A 41 5.115 10.134 4.446 1.00 0.12 N ATOM 568 CE2 TRP A 41 5.015 8.794 4.177 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.498 7.309 3.049 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.862 7.746 4.512 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.337 6.271 3.380 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.507 6.494 4.112 1.00 0.12 C ATOM 0 H TRP A 41 3.043 11.881 1.251 1.00 0.10 H new ATOM 0 HA TRP A 41 2.382 9.084 0.784 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.602 11.179 2.871 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.164 9.484 2.951 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.873 11.842 3.935 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.868 10.579 4.970 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.593 7.126 2.488 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.770 7.918 5.070 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.088 5.267 3.069 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.141 5.657 4.365 1.00 0.12 H new ATOM 583 N ASP A 42 0.459 11.471 -0.113 1.00 0.11 N ATOM 584 CA ASP A 42 -0.812 11.778 -0.759 1.00 0.14 C ATOM 585 C ASP A 42 -0.853 11.148 -2.139 1.00 0.15 C ATOM 586 O ASP A 42 -0.245 11.650 -3.087 1.00 0.21 O ATOM 587 CB ASP A 42 -1.020 13.286 -0.861 1.00 0.21 C ATOM 588 CG ASP A 42 -2.333 13.643 -1.530 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.393 13.205 -1.036 1.00 0.50 O ATOM 590 OD2 ASP A 42 -2.318 14.379 -2.541 1.00 0.41 O1- ATOM 0 H ASP A 42 1.143 12.227 -0.139 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.618 11.365 -0.152 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -0.993 13.722 0.138 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.197 13.727 -1.423 1.00 0.21 H new ATOM 595 N PHE A 43 -1.568 10.024 -2.220 1.00 0.11 N ATOM 596 CA PHE A 43 -1.682 9.252 -3.453 1.00 0.10 C ATOM 597 C PHE A 43 -2.137 10.128 -4.629 1.00 0.12 C ATOM 598 O PHE A 43 -1.385 10.371 -5.573 1.00 0.14 O ATOM 599 CB PHE A 43 -2.757 8.169 -3.317 1.00 0.09 C ATOM 600 CG PHE A 43 -2.519 7.070 -2.341 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.263 7.394 -1.026 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.551 5.743 -2.709 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.049 6.420 -0.091 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.331 4.756 -1.775 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.075 4.970 -0.607 1.00 0.06 C ATOM 0 H PHE A 43 -2.082 9.627 -1.434 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.693 8.830 -3.633 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.693 8.659 -3.048 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.904 7.719 -4.299 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.231 8.432 -0.730 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.750 5.475 -3.736 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.872 6.654 0.948 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.390 3.728 -2.101 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.867 4.150 0.064 1.00 0.06 H new ATOM 615 N ALA A 44 -3.373 10.628 -4.501 1.00 0.13 N ATOM 616 CA ALA A 44 -4.050 11.454 -5.511 1.00 0.16 C ATOM 617 C ALA A 44 -5.560 11.429 -5.268 1.00 0.18 C ATOM 618 O ALA A 44 -6.038 11.893 -4.235 1.00 0.24 O ATOM 619 CB ALA A 44 -3.776 10.982 -6.936 1.00 0.16 C ATOM 0 H ALA A 44 -3.945 10.466 -3.672 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.655 12.465 -5.411 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.300 11.628 -7.640 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.705 11.024 -7.134 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.127 9.957 -7.053 1.00 0.16 H new ATOM 625 N ASP A 45 -6.303 10.859 -6.219 1.00 0.17 N ATOM 626 CA ASP A 45 -7.746 10.729 -6.102 1.00 0.20 C ATOM 627 C ASP A 45 -8.212 9.369 -6.595 1.00 0.16 C ATOM 628 O ASP A 45 -8.070 9.047 -7.773 1.00 0.19 O ATOM 629 CB ASP A 45 -8.407 11.788 -6.934 1.00 0.26 C ATOM 630 CG ASP A 45 -9.840 12.061 -6.522 1.00 1.04 C ATOM 631 OD1 ASP A 45 -10.764 11.721 -7.288 1.00 1.82 O ATOM 632 OD2 ASP A 45 -10.050 12.611 -5.419 1.00 1.18 O1- ATOM 0 H ASP A 45 -5.919 10.479 -7.084 1.00 0.17 H new ATOM 0 HA ASP A 45 -8.015 10.838 -5.051 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -7.832 12.711 -6.860 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -8.388 11.484 -7.980 1.00 0.26 H new ATOM 637 N GLY A 46 -8.767 8.585 -5.686 1.00 0.17 N ATOM 638 CA GLY A 46 -9.236 7.230 -6.008 1.00 0.16 C ATOM 639 C GLY A 46 -8.141 6.358 -6.586 1.00 0.12 C ATOM 640 O GLY A 46 -8.395 5.288 -7.126 1.00 0.16 O ATOM 0 H GLY A 46 -8.908 8.857 -4.713 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.630 6.762 -5.106 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.059 7.294 -6.720 1.00 0.16 H new ATOM 644 N VAL A 47 -6.922 6.819 -6.415 1.00 0.08 N ATOM 645 CA VAL A 47 -5.736 6.166 -6.921 1.00 0.06 C ATOM 646 C VAL A 47 -5.541 4.858 -6.193 1.00 0.05 C ATOM 647 O VAL A 47 -5.233 3.831 -6.786 1.00 0.06 O ATOM 648 CB VAL A 47 -4.530 7.097 -6.716 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.759 7.967 -5.509 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.239 6.308 -6.598 1.00 0.09 C ATOM 0 H VAL A 47 -6.723 7.681 -5.907 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.839 5.956 -7.986 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.429 7.739 -7.591 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.902 8.625 -5.367 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.657 8.567 -5.658 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.884 7.339 -4.627 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.405 6.995 -6.454 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.303 5.631 -5.746 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.081 5.731 -7.509 1.00 0.09 H new ATOM 660 N LEU A 48 -5.786 4.911 -4.903 1.00 0.06 N ATOM 661 CA LEU A 48 -5.688 3.759 -4.055 1.00 0.06 C ATOM 662 C LEU A 48 -6.842 2.834 -4.310 1.00 0.08 C ATOM 663 O LEU A 48 -6.682 1.629 -4.426 1.00 0.09 O ATOM 664 CB LEU A 48 -5.702 4.241 -2.630 1.00 0.08 C ATOM 665 CG LEU A 48 -5.709 3.161 -1.569 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.680 2.092 -1.899 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.457 3.776 -0.206 1.00 0.10 C ATOM 0 H LEU A 48 -6.060 5.764 -4.416 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.769 3.208 -4.257 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.829 4.874 -2.472 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.581 4.870 -2.488 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.688 2.681 -1.547 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.696 1.322 -1.128 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.917 1.644 -2.864 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.688 2.542 -1.942 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.463 2.994 0.553 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.488 4.274 -0.205 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.239 4.503 0.015 1.00 0.10 H new ATOM 679 N GLU A 49 -7.988 3.442 -4.454 1.00 0.09 N ATOM 680 CA GLU A 49 -9.231 2.740 -4.688 1.00 0.12 C ATOM 681 C GLU A 49 -9.165 1.983 -5.993 1.00 0.12 C ATOM 682 O GLU A 49 -9.922 1.054 -6.229 1.00 0.15 O ATOM 683 CB GLU A 49 -10.343 3.765 -4.724 1.00 0.17 C ATOM 684 CG GLU A 49 -10.670 4.323 -3.362 1.00 0.30 C ATOM 685 CD GLU A 49 -12.140 4.195 -3.040 1.00 0.99 C ATOM 686 OE1 GLU A 49 -12.829 5.227 -2.988 1.00 1.32 O ATOM 687 OE2 GLU A 49 -12.613 3.056 -2.856 1.00 1.49 O1- ATOM 0 H GLU A 49 -8.091 4.456 -4.412 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.415 2.016 -3.894 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -10.056 4.582 -5.387 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.237 3.309 -5.149 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -10.086 3.800 -2.605 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.379 5.373 -3.320 1.00 0.30 H new ATOM 694 N GLN A 50 -8.226 2.397 -6.812 1.00 0.10 N ATOM 695 CA GLN A 50 -7.957 1.789 -8.086 1.00 0.11 C ATOM 696 C GLN A 50 -7.170 0.537 -7.915 1.00 0.10 C ATOM 697 O GLN A 50 -7.524 -0.531 -8.406 1.00 0.12 O ATOM 698 CB GLN A 50 -7.136 2.741 -8.905 1.00 0.11 C ATOM 699 CG GLN A 50 -7.977 3.520 -9.884 1.00 0.14 C ATOM 700 CD GLN A 50 -8.188 2.761 -11.186 1.00 0.21 C ATOM 701 OE1 GLN A 50 -8.044 1.432 -11.151 1.00 0.37 O flip ATOM 702 NE2 GLN A 50 -8.432 3.365 -12.231 1.00 0.20 N flip ATOM 0 H GLN A 50 -7.615 3.186 -6.601 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.905 1.558 -8.572 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.617 3.434 -8.242 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.371 2.185 -9.447 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.944 3.743 -9.434 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.496 4.475 -10.095 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -8.536 4.380 -12.221 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -8.531 2.851 -13.106 1.00 0.20 H new ATOM 711 N ILE A 51 -6.082 0.711 -7.223 1.00 0.09 N ATOM 712 CA ILE A 51 -5.171 -0.354 -6.940 1.00 0.09 C ATOM 713 C ILE A 51 -5.880 -1.393 -6.116 1.00 0.11 C ATOM 714 O ILE A 51 -5.681 -2.585 -6.281 1.00 0.16 O ATOM 715 CB ILE A 51 -3.992 0.187 -6.150 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.480 1.456 -6.818 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.909 -0.867 -6.034 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.522 2.227 -5.962 1.00 0.06 C ATOM 0 H ILE A 51 -5.800 1.611 -6.835 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.815 -0.793 -7.872 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.307 0.438 -5.137 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.990 1.193 -7.755 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.327 2.094 -7.070 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -2.070 -0.466 -5.465 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.308 -1.743 -5.523 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.569 -1.151 -7.030 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.195 3.119 -6.495 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -3.016 2.519 -5.035 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.658 1.604 -5.732 1.00 0.06 H new ATOM 730 N LEU A 52 -6.730 -0.900 -5.242 1.00 0.09 N ATOM 731 CA LEU A 52 -7.541 -1.732 -4.387 1.00 0.10 C ATOM 732 C LEU A 52 -8.613 -2.429 -5.183 1.00 0.11 C ATOM 733 O LEU A 52 -8.877 -3.617 -4.989 1.00 0.13 O ATOM 734 CB LEU A 52 -8.167 -0.859 -3.328 1.00 0.10 C ATOM 735 CG LEU A 52 -7.195 -0.390 -2.274 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.830 0.698 -1.444 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.788 -1.567 -1.427 1.00 0.10 C ATOM 0 H LEU A 52 -6.877 0.100 -5.105 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.918 -2.497 -3.924 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.617 0.011 -3.807 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.974 -1.411 -2.845 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.302 0.027 -2.739 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.125 1.034 -0.684 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.098 1.537 -2.087 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.727 0.310 -0.961 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -6.085 -1.239 -0.661 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.670 -1.994 -0.950 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.314 -2.321 -2.055 1.00 0.10 H new ATOM 749 N ALA A 53 -9.213 -1.679 -6.088 1.00 0.12 N ATOM 750 CA ALA A 53 -10.210 -2.223 -6.997 1.00 0.14 C ATOM 751 C ALA A 53 -9.575 -3.350 -7.781 1.00 0.15 C ATOM 752 O ALA A 53 -10.169 -4.400 -8.021 1.00 0.18 O ATOM 753 CB ALA A 53 -10.717 -1.143 -7.938 1.00 0.16 C ATOM 0 H ALA A 53 -9.027 -0.684 -6.215 1.00 0.12 H new ATOM 0 HA ALA A 53 -11.062 -2.598 -6.431 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.462 -1.567 -8.611 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.168 -0.338 -7.358 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.885 -0.748 -8.521 1.00 0.16 H new ATOM 759 N THR A 54 -8.330 -3.105 -8.138 1.00 0.15 N ATOM 760 CA THR A 54 -7.500 -4.074 -8.779 1.00 0.16 C ATOM 761 C THR A 54 -7.197 -5.230 -7.828 1.00 0.15 C ATOM 762 O THR A 54 -7.457 -6.372 -8.164 1.00 0.17 O ATOM 763 CB THR A 54 -6.212 -3.386 -9.270 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.433 -2.816 -10.565 1.00 0.24 O ATOM 765 CG2 THR A 54 -5.016 -4.336 -9.314 1.00 0.24 C ATOM 0 H THR A 54 -7.870 -2.208 -7.983 1.00 0.15 H new ATOM 0 HA THR A 54 -8.018 -4.495 -9.640 1.00 0.16 H new ATOM 0 HB THR A 54 -5.969 -2.603 -8.552 1.00 0.18 H new ATOM 0 HG1 THR A 54 -5.613 -2.378 -10.874 1.00 0.24 H new ATOM 0 HG21 THR A 54 -4.136 -3.798 -9.667 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.825 -4.727 -8.315 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.232 -5.162 -9.992 1.00 0.24 H new ATOM 773 N SER A 55 -6.704 -4.920 -6.627 1.00 0.13 N ATOM 774 CA SER A 55 -6.317 -5.926 -5.648 1.00 0.13 C ATOM 775 C SER A 55 -7.403 -6.984 -5.467 1.00 0.11 C ATOM 776 O SER A 55 -7.127 -8.180 -5.490 1.00 0.13 O ATOM 777 CB SER A 55 -6.022 -5.250 -4.317 1.00 0.18 C ATOM 778 OG SER A 55 -5.004 -4.283 -4.457 1.00 0.90 O ATOM 0 H SER A 55 -6.563 -3.961 -6.310 1.00 0.13 H new ATOM 0 HA SER A 55 -5.423 -6.431 -6.014 1.00 0.13 H new ATOM 0 HB2 SER A 55 -6.928 -4.778 -3.936 1.00 0.18 H new ATOM 0 HB3 SER A 55 -5.720 -5.998 -3.584 1.00 0.18 H new ATOM 0 HG SER A 55 -4.148 -4.731 -4.621 1.00 0.90 H new ATOM 784 N ARG A 56 -8.640 -6.535 -5.316 1.00 0.10 N ATOM 785 CA ARG A 56 -9.769 -7.439 -5.134 1.00 0.10 C ATOM 786 C ARG A 56 -9.991 -8.275 -6.390 1.00 0.12 C ATOM 787 O ARG A 56 -10.216 -9.481 -6.312 1.00 0.17 O ATOM 788 CB ARG A 56 -11.022 -6.634 -4.812 1.00 0.11 C ATOM 789 CG ARG A 56 -10.844 -5.678 -3.662 1.00 0.14 C ATOM 790 CD ARG A 56 -11.709 -4.445 -3.852 1.00 0.17 C ATOM 791 NE ARG A 56 -13.117 -4.767 -4.072 1.00 1.28 N ATOM 792 CZ ARG A 56 -14.113 -3.898 -3.894 1.00 1.63 C ATOM 793 NH1 ARG A 56 -13.855 -2.662 -3.478 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -15.366 -4.267 -4.130 1.00 2.73 N ATOM 0 H ARG A 56 -8.889 -5.546 -5.316 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.552 -8.113 -4.306 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.321 -6.073 -5.697 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.836 -7.321 -4.580 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.107 -6.173 -2.727 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.797 -5.386 -3.584 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.621 -3.806 -2.973 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -11.335 -3.873 -4.701 1.00 0.17 H new ATOM 0 HE ARG A 56 -13.352 -5.711 -4.379 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -12.893 -2.376 -3.294 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -14.619 -2.000 -3.343 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -15.567 -5.215 -4.447 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -16.128 -3.602 -3.994 1.00 2.73 H new ATOM 808 N SER A 57 -9.905 -7.618 -7.544 1.00 0.13 N ATOM 809 CA SER A 57 -10.037 -8.277 -8.836 1.00 0.17 C ATOM 810 C SER A 57 -8.940 -9.328 -9.023 1.00 0.18 C ATOM 811 O SER A 57 -9.178 -10.422 -9.532 1.00 0.22 O ATOM 812 CB SER A 57 -9.960 -7.225 -9.939 1.00 0.22 C ATOM 813 OG SER A 57 -10.087 -7.800 -11.227 1.00 0.55 O ATOM 0 H SER A 57 -9.742 -6.613 -7.607 1.00 0.13 H new ATOM 0 HA SER A 57 -10.999 -8.787 -8.883 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.748 -6.486 -9.792 1.00 0.22 H new ATOM 0 HB3 SER A 57 -9.010 -6.695 -9.870 1.00 0.22 H new ATOM 0 HG SER A 57 -10.034 -7.096 -11.906 1.00 0.55 H new ATOM 819 N ARG A 58 -7.740 -8.970 -8.595 1.00 0.18 N ATOM 820 CA ARG A 58 -6.574 -9.840 -8.671 1.00 0.21 C ATOM 821 C ARG A 58 -6.739 -11.042 -7.760 1.00 0.18 C ATOM 822 O ARG A 58 -6.218 -12.127 -8.020 1.00 0.22 O ATOM 823 CB ARG A 58 -5.367 -9.045 -8.223 1.00 0.24 C ATOM 824 CG ARG A 58 -5.183 -7.765 -9.002 1.00 0.27 C ATOM 825 CD ARG A 58 -4.189 -7.925 -10.131 1.00 0.37 C ATOM 826 NE ARG A 58 -4.419 -6.976 -11.220 1.00 1.25 N ATOM 827 CZ ARG A 58 -3.483 -6.603 -12.096 1.00 1.56 C ATOM 828 NH1 ARG A 58 -2.244 -7.074 -11.997 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -3.790 -5.760 -13.074 1.00 2.50 N ATOM 0 H ARG A 58 -7.545 -8.059 -8.181 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.454 -10.196 -9.694 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.467 -8.808 -7.164 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.474 -9.660 -8.329 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -6.143 -7.446 -9.407 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.844 -6.977 -8.329 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -3.179 -7.790 -9.743 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -4.248 -8.941 -10.521 1.00 0.37 H new ATOM 0 HE ARG A 58 -5.352 -6.575 -11.316 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -2.004 -7.724 -11.249 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -1.533 -6.785 -12.669 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -4.740 -5.398 -13.156 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -3.076 -5.474 -13.744 1.00 2.50 H new ATOM 843 N GLY A 59 -7.469 -10.823 -6.686 1.00 0.14 N ATOM 844 CA GLY A 59 -7.705 -11.866 -5.712 1.00 0.15 C ATOM 845 C GLY A 59 -6.851 -11.670 -4.485 1.00 0.18 C ATOM 846 O GLY A 59 -6.664 -12.588 -3.688 1.00 0.24 O ATOM 0 H GLY A 59 -7.910 -9.930 -6.466 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -8.758 -11.871 -5.429 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.490 -12.838 -6.157 1.00 0.15 H new ATOM 850 N TYR A 60 -6.335 -10.460 -4.340 1.00 0.16 N ATOM 851 CA TYR A 60 -5.524 -10.094 -3.197 1.00 0.17 C ATOM 852 C TYR A 60 -6.418 -9.931 -1.979 1.00 0.15 C ATOM 853 O TYR A 60 -6.165 -10.498 -0.916 1.00 0.18 O ATOM 854 CB TYR A 60 -4.795 -8.782 -3.483 1.00 0.16 C ATOM 855 CG TYR A 60 -3.589 -8.911 -4.388 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.579 -8.292 -5.619 1.00 0.27 C ATOM 857 CD2 TYR A 60 -2.461 -9.624 -4.010 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.495 -8.367 -6.457 1.00 0.26 C ATOM 859 CE2 TYR A 60 -1.362 -9.713 -4.843 1.00 0.51 C ATOM 860 CZ TYR A 60 -1.383 -9.080 -6.067 1.00 0.28 C ATOM 861 OH TYR A 60 -0.291 -9.161 -6.899 1.00 0.35 O ATOM 0 H TYR A 60 -6.469 -9.706 -5.014 1.00 0.16 H new ATOM 0 HA TYR A 60 -4.789 -10.876 -3.005 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.498 -8.083 -3.936 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.476 -8.346 -2.536 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -4.448 -7.733 -5.933 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -2.441 -10.117 -3.050 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.514 -7.870 -7.416 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -0.492 -10.275 -4.537 1.00 0.51 H new ATOM 0 HH TYR A 60 0.407 -9.700 -6.471 1.00 0.35 H new ATOM 871 N ILE A 61 -7.482 -9.162 -2.163 1.00 0.12 N ATOM 872 CA ILE A 61 -8.390 -8.823 -1.094 1.00 0.12 C ATOM 873 C ILE A 61 -9.828 -8.848 -1.553 1.00 0.11 C ATOM 874 O ILE A 61 -10.153 -9.269 -2.662 1.00 0.11 O ATOM 875 CB ILE A 61 -8.134 -7.402 -0.612 1.00 0.10 C ATOM 876 CG1 ILE A 61 -7.962 -6.505 -1.836 1.00 0.09 C ATOM 877 CG2 ILE A 61 -6.922 -7.351 0.304 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.096 -5.035 -1.542 1.00 0.11 C ATOM 0 H ILE A 61 -7.734 -8.758 -3.065 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.223 -9.559 -0.308 1.00 0.12 H new ATOM 0 HB ILE A 61 -8.980 -7.046 -0.024 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -6.981 -6.689 -2.274 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.703 -6.784 -2.585 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.759 -6.325 0.635 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.094 -7.989 1.171 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.043 -7.702 -0.236 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -7.961 -4.466 -2.462 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.086 -4.834 -1.133 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.338 -4.738 -0.817 1.00 0.11 H new ATOM 890 N THR A 62 -10.663 -8.367 -0.664 1.00 0.12 N ATOM 891 CA THR A 62 -12.061 -8.158 -0.914 1.00 0.12 C ATOM 892 C THR A 62 -12.480 -6.788 -0.389 1.00 0.13 C ATOM 893 O THR A 62 -11.996 -6.361 0.654 1.00 0.13 O ATOM 894 CB THR A 62 -12.882 -9.255 -0.225 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.016 -10.393 -1.081 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.239 -8.745 0.218 1.00 0.16 C ATOM 0 H THR A 62 -10.376 -8.104 0.279 1.00 0.12 H new ATOM 0 HA THR A 62 -12.243 -8.199 -1.988 1.00 0.12 H new ATOM 0 HB THR A 62 -12.343 -9.559 0.672 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.541 -11.084 -0.626 1.00 0.16 H new ATOM 0 HG21 THR A 62 -14.791 -9.551 0.702 1.00 0.16 H new ATOM 0 HG22 THR A 62 -14.107 -7.923 0.921 1.00 0.16 H new ATOM 0 HG23 THR A 62 -14.797 -8.394 -0.650 1.00 0.16 H new ATOM 904 N GLY A 63 -13.366 -6.122 -1.125 1.00 0.15 N ATOM 905 CA GLY A 63 -13.935 -4.854 -0.697 1.00 0.17 C ATOM 906 C GLY A 63 -12.927 -3.912 -0.072 1.00 0.17 C ATOM 907 O GLY A 63 -11.915 -3.567 -0.683 1.00 0.24 O ATOM 0 H GLY A 63 -13.706 -6.447 -2.030 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.393 -4.363 -1.556 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.731 -5.048 0.021 1.00 0.17 H new ATOM 911 N ASP A 64 -13.216 -3.508 1.155 1.00 0.14 N ATOM 912 CA ASP A 64 -12.319 -2.669 1.928 1.00 0.14 C ATOM 913 C ASP A 64 -11.671 -3.486 3.034 1.00 0.11 C ATOM 914 O ASP A 64 -11.137 -2.944 3.996 1.00 0.13 O ATOM 915 CB ASP A 64 -13.072 -1.502 2.548 1.00 0.19 C ATOM 916 CG ASP A 64 -13.672 -0.562 1.525 1.00 1.30 C ATOM 917 OD1 ASP A 64 -13.113 0.533 1.316 1.00 2.21 O ATOM 918 OD2 ASP A 64 -14.722 -0.904 0.938 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.079 -3.753 1.641 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.553 -2.281 1.256 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -13.867 -1.890 3.185 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -12.393 -0.942 3.191 1.00 0.19 H new ATOM 923 N GLN A 65 -11.738 -4.799 2.884 1.00 0.10 N ATOM 924 CA GLN A 65 -11.157 -5.740 3.822 1.00 0.10 C ATOM 925 C GLN A 65 -9.659 -5.851 3.618 1.00 0.08 C ATOM 926 O GLN A 65 -9.094 -6.929 3.690 1.00 0.09 O ATOM 927 CB GLN A 65 -11.795 -7.108 3.693 1.00 0.11 C ATOM 928 CG GLN A 65 -13.271 -7.057 3.377 1.00 0.16 C ATOM 929 CD GLN A 65 -14.146 -6.980 4.595 1.00 0.28 C ATOM 930 OE1 GLN A 65 -14.487 -7.995 5.205 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.556 -5.777 4.927 1.00 0.34 N ATOM 0 H GLN A 65 -12.205 -5.245 2.095 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.350 -5.361 4.826 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.283 -7.667 2.910 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.649 -7.657 4.623 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.468 -6.192 2.743 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.541 -7.942 2.801 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -14.246 -4.967 4.391 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.184 -5.653 5.721 1.00 0.34 H new ATOM 940 N TYR A 66 -9.041 -4.761 3.271 1.00 0.07 N ATOM 941 CA TYR A 66 -7.619 -4.743 3.035 1.00 0.06 C ATOM 942 C TYR A 66 -6.930 -4.012 4.157 1.00 0.05 C ATOM 943 O TYR A 66 -7.558 -3.263 4.893 1.00 0.05 O ATOM 944 CB TYR A 66 -7.301 -4.035 1.736 1.00 0.07 C ATOM 945 CG TYR A 66 -7.688 -2.575 1.740 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.742 -1.596 2.003 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.992 -2.180 1.485 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.086 -0.263 2.010 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.347 -0.847 1.496 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.391 0.106 1.761 1.00 0.09 C ATOM 951 OH TYR A 66 -8.734 1.434 1.756 1.00 0.11 O ATOM 0 H TYR A 66 -9.502 -3.860 3.143 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.270 -5.774 2.980 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.233 -4.120 1.536 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.819 -4.539 0.920 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.721 -1.883 2.205 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.742 -2.928 1.274 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.338 0.490 2.209 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.367 -0.554 1.298 1.00 0.09 H new ATOM 0 HH TYR A 66 -7.928 1.980 1.641 1.00 0.11 H new ATOM 961 N ILE A 67 -5.640 -4.198 4.266 1.00 0.05 N ATOM 962 CA ILE A 67 -4.872 -3.476 5.240 1.00 0.05 C ATOM 963 C ILE A 67 -3.722 -2.784 4.565 1.00 0.05 C ATOM 964 O ILE A 67 -2.729 -3.387 4.220 1.00 0.06 O ATOM 965 CB ILE A 67 -4.326 -4.393 6.347 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.465 -4.991 7.152 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.356 -3.634 7.241 1.00 0.06 C ATOM 968 CD1 ILE A 67 -5.017 -6.016 8.153 1.00 0.07 C ATOM 0 H ILE A 67 -5.101 -4.845 3.690 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.538 -2.749 5.704 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.778 -5.213 5.882 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -5.990 -4.191 7.673 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.180 -5.450 6.469 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.980 -4.300 8.018 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.522 -3.267 6.643 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.870 -2.791 7.703 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.883 -6.401 8.692 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.518 -6.835 7.636 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.325 -5.557 8.859 1.00 0.07 H new ATOM 980 N LEU A 68 -3.866 -1.523 4.365 1.00 0.05 N ATOM 981 CA LEU A 68 -2.830 -0.760 3.732 1.00 0.06 C ATOM 982 C LEU A 68 -1.977 -0.109 4.816 1.00 0.07 C ATOM 983 O LEU A 68 -2.467 0.134 5.921 1.00 0.11 O ATOM 984 CB LEU A 68 -3.480 0.266 2.831 1.00 0.06 C ATOM 985 CG LEU A 68 -2.558 1.288 2.202 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.988 0.763 0.901 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.304 2.591 2.003 1.00 0.10 C ATOM 0 H LEU A 68 -4.693 -0.988 4.629 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.180 -1.388 3.122 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -4.001 -0.262 2.032 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.237 0.798 3.408 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.716 1.476 2.869 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.328 1.512 0.464 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.424 -0.150 1.093 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.801 0.548 0.208 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.638 3.326 1.550 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.160 2.424 1.349 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.652 2.962 2.967 1.00 0.10 H new ATOM 999 N GLU A 69 -0.704 0.128 4.532 1.00 0.07 N ATOM 1000 CA GLU A 69 0.173 0.784 5.490 1.00 0.08 C ATOM 1001 C GLU A 69 1.196 1.670 4.811 1.00 0.08 C ATOM 1002 O GLU A 69 1.576 1.443 3.664 1.00 0.09 O ATOM 1003 CB GLU A 69 0.896 -0.242 6.354 1.00 0.11 C ATOM 1004 CG GLU A 69 0.142 -0.605 7.616 1.00 0.17 C ATOM 1005 CD GLU A 69 -0.134 0.603 8.497 1.00 0.42 C ATOM 1006 OE1 GLU A 69 -0.966 0.490 9.420 1.00 0.93 O ATOM 1007 OE2 GLU A 69 0.482 1.675 8.279 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.258 -0.123 3.650 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.462 1.410 6.117 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.064 -1.145 5.768 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.877 0.149 6.625 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.802 -1.078 7.348 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.717 -1.339 8.181 1.00 0.17 H new ATOM 1014 N ARG A 70 1.632 2.683 5.544 1.00 0.10 N ATOM 1015 CA ARG A 70 2.670 3.580 5.082 1.00 0.10 C ATOM 1016 C ARG A 70 4.016 2.942 5.304 1.00 0.09 C ATOM 1017 O ARG A 70 4.277 2.381 6.368 1.00 0.10 O ATOM 1018 CB ARG A 70 2.628 4.911 5.827 1.00 0.14 C ATOM 1019 CG ARG A 70 1.235 5.460 6.065 1.00 0.40 C ATOM 1020 CD ARG A 70 0.579 4.839 7.302 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.527 5.632 7.832 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.406 5.163 8.725 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -1.335 3.897 9.129 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.363 5.949 9.199 1.00 1.74 N ATOM 0 H ARG A 70 1.274 2.903 6.474 1.00 0.10 H new ATOM 0 HA ARG A 70 2.504 3.770 4.022 1.00 0.10 H new ATOM 0 HB2 ARG A 70 3.125 4.789 6.789 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.202 5.646 5.263 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.287 6.542 6.187 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.615 5.267 5.190 1.00 0.40 H new ATOM 0 HD2 ARG A 70 0.214 3.843 7.049 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.332 4.714 8.080 1.00 0.30 H new ATOM 0 HE ARG A 70 -0.635 6.592 7.505 1.00 0.84 H new ATOM 0 HH11 ARG A 70 -0.610 3.283 8.758 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -2.006 3.541 9.810 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.432 6.916 8.883 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -3.030 5.586 9.880 1.00 1.74 H new ATOM 1038 N VAL A 71 4.868 3.031 4.309 1.00 0.07 N ATOM 1039 CA VAL A 71 6.117 2.319 4.340 1.00 0.07 C ATOM 1040 C VAL A 71 7.303 3.226 4.086 1.00 0.07 C ATOM 1041 O VAL A 71 8.121 3.415 4.971 1.00 0.08 O ATOM 1042 CB VAL A 71 6.093 1.197 3.303 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.365 0.382 3.357 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.875 0.318 3.511 1.00 0.11 C ATOM 0 H VAL A 71 4.716 3.590 3.470 1.00 0.07 H new ATOM 0 HA VAL A 71 6.234 1.904 5.341 1.00 0.07 H new ATOM 0 HB VAL A 71 6.030 1.645 2.311 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.322 -0.410 2.609 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.220 1.027 3.154 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.472 -0.060 4.348 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.869 -0.478 2.766 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.908 -0.119 4.509 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.971 0.918 3.408 1.00 0.11 H new ATOM 1054 N ASN A 72 7.394 3.798 2.895 1.00 0.06 N ATOM 1055 CA ASN A 72 8.606 4.507 2.502 1.00 0.07 C ATOM 1056 C ASN A 72 8.295 5.716 1.653 1.00 0.07 C ATOM 1057 O ASN A 72 7.214 5.823 1.084 1.00 0.08 O ATOM 1058 CB ASN A 72 9.493 3.555 1.722 1.00 0.10 C ATOM 1059 CG ASN A 72 10.903 4.057 1.465 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.143 4.856 0.566 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.853 3.541 2.221 1.00 0.14 N ATOM 0 H ASN A 72 6.656 3.787 2.191 1.00 0.06 H new ATOM 0 HA ASN A 72 9.111 4.856 3.403 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.553 2.611 2.264 1.00 0.10 H new ATOM 0 HB3 ASN A 72 9.019 3.343 0.764 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.826 3.804 2.067 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.614 2.879 2.959 1.00 0.14 H new ATOM 1068 N ILE A 73 9.245 6.627 1.576 1.00 0.08 N ATOM 1069 CA ILE A 73 9.142 7.735 0.640 1.00 0.08 C ATOM 1070 C ILE A 73 10.302 7.700 -0.337 1.00 0.09 C ATOM 1071 O ILE A 73 11.443 7.980 0.021 1.00 0.11 O ATOM 1072 CB ILE A 73 9.094 9.121 1.317 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.812 9.293 2.125 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.178 10.212 0.263 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.748 10.605 2.873 1.00 0.10 C ATOM 0 H ILE A 73 10.092 6.625 2.145 1.00 0.08 H new ATOM 0 HA ILE A 73 8.192 7.602 0.122 1.00 0.08 H new ATOM 0 HB ILE A 73 9.943 9.197 1.996 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.956 9.223 1.454 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.727 8.472 2.837 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.144 11.188 0.746 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.113 10.113 -0.289 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.338 10.118 -0.425 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.811 10.663 3.427 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.585 10.669 3.568 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.802 11.431 2.164 1.00 0.10 H new ATOM 1087 N VAL A 74 9.997 7.347 -1.570 1.00 0.10 N ATOM 1088 CA VAL A 74 11.008 7.282 -2.617 1.00 0.13 C ATOM 1089 C VAL A 74 10.780 8.408 -3.603 1.00 0.15 C ATOM 1090 O VAL A 74 9.806 8.376 -4.348 1.00 0.15 O ATOM 1091 CB VAL A 74 10.972 5.943 -3.387 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.022 5.929 -4.485 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.170 4.764 -2.453 1.00 0.24 C ATOM 0 H VAL A 74 9.056 7.099 -1.876 1.00 0.10 H new ATOM 0 HA VAL A 74 11.981 7.370 -2.134 1.00 0.13 H new ATOM 0 HB VAL A 74 9.987 5.849 -3.843 1.00 0.15 H new ATOM 0 HG11 VAL A 74 11.981 4.978 -5.016 1.00 0.18 H new ATOM 0 HG12 VAL A 74 11.829 6.743 -5.184 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.011 6.056 -4.044 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.139 3.837 -3.026 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.136 4.852 -1.956 1.00 0.24 H new ATOM 0 HG23 VAL A 74 10.377 4.755 -1.705 1.00 0.24 H new ATOM 1103 N ASN A 75 11.643 9.421 -3.571 1.00 0.20 N ATOM 1104 CA ASN A 75 11.524 10.574 -4.470 1.00 0.25 C ATOM 1105 C ASN A 75 10.252 11.378 -4.152 1.00 0.20 C ATOM 1106 O ASN A 75 9.924 12.362 -4.811 1.00 0.25 O ATOM 1107 CB ASN A 75 11.512 10.043 -5.925 1.00 0.29 C ATOM 1108 CG ASN A 75 10.861 10.961 -6.942 1.00 0.33 C ATOM 1109 OD1 ASN A 75 9.538 10.922 -7.012 1.00 0.39 O flip ATOM 1110 ND2 ASN A 75 11.537 11.717 -7.639 1.00 0.31 N flip ATOM 0 H ASN A 75 12.436 9.470 -2.931 1.00 0.20 H new ATOM 0 HA ASN A 75 12.367 11.252 -4.336 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.540 9.855 -6.235 1.00 0.29 H new ATOM 0 HB3 ASN A 75 10.994 9.084 -5.941 1.00 0.29 H new ATOM 0 HD21 ASN A 75 12.553 11.716 -7.554 1.00 0.31 H new ATOM 0 HD22 ASN A 75 11.081 12.345 -8.301 1.00 0.31 H new ATOM 1117 N GLY A 76 9.603 11.028 -3.059 1.00 0.13 N ATOM 1118 CA GLY A 76 8.313 11.606 -2.767 1.00 0.10 C ATOM 1119 C GLY A 76 7.173 10.807 -3.379 1.00 0.09 C ATOM 1120 O GLY A 76 6.068 11.316 -3.534 1.00 0.11 O ATOM 0 H GLY A 76 9.943 10.357 -2.370 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.177 11.660 -1.687 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.281 12.628 -3.144 1.00 0.10 H new ATOM 1124 N ASN A 77 7.444 9.554 -3.726 1.00 0.09 N ATOM 1125 CA ASN A 77 6.445 8.672 -4.326 1.00 0.10 C ATOM 1126 C ASN A 77 5.838 7.744 -3.286 1.00 0.09 C ATOM 1127 O ASN A 77 5.573 6.588 -3.590 1.00 0.10 O ATOM 1128 CB ASN A 77 7.053 7.839 -5.457 1.00 0.14 C ATOM 1129 CG ASN A 77 7.229 8.619 -6.743 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.491 9.560 -7.020 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.203 8.224 -7.545 1.00 0.36 N ATOM 0 H ASN A 77 8.359 9.120 -3.601 1.00 0.09 H new ATOM 0 HA ASN A 77 5.660 9.307 -4.736 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.022 7.455 -5.137 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.415 6.976 -5.647 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.362 8.706 -8.430 1.00 0.36 H new ATOM 0 HD22 ASN A 77 8.795 7.437 -7.279 1.00 0.36 H new ATOM 1138 N GLY A 78 5.636 8.279 -2.072 1.00 0.07 N ATOM 1139 CA GLY A 78 5.244 7.496 -0.886 1.00 0.07 C ATOM 1140 C GLY A 78 4.674 6.119 -1.174 1.00 0.06 C ATOM 1141 O GLY A 78 3.614 5.979 -1.783 1.00 0.08 O ATOM 0 H GLY A 78 5.741 9.276 -1.883 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.116 7.382 -0.242 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.505 8.066 -0.323 1.00 0.07 H new ATOM 1145 N TYR A 79 5.378 5.107 -0.709 1.00 0.06 N ATOM 1146 CA TYR A 79 5.016 3.730 -0.988 1.00 0.05 C ATOM 1147 C TYR A 79 4.197 3.160 0.143 1.00 0.06 C ATOM 1148 O TYR A 79 4.498 3.358 1.324 1.00 0.06 O ATOM 1149 CB TYR A 79 6.253 2.864 -1.242 1.00 0.06 C ATOM 1150 CG TYR A 79 6.862 3.071 -2.613 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.968 2.021 -3.518 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.313 4.321 -3.014 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.499 2.204 -4.763 1.00 0.13 C ATOM 1154 CE2 TYR A 79 7.852 4.521 -4.266 1.00 0.15 C ATOM 1155 CZ TYR A 79 7.945 3.456 -5.144 1.00 0.15 C ATOM 1156 OH TYR A 79 8.473 3.640 -6.404 1.00 0.19 O ATOM 0 H TYR A 79 6.212 5.213 -0.131 1.00 0.06 H new ATOM 0 HA TYR A 79 4.414 3.723 -1.897 1.00 0.05 H new ATOM 0 HB2 TYR A 79 7.003 3.084 -0.483 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.982 1.814 -1.128 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.623 1.039 -3.230 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.240 5.154 -2.330 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.570 1.372 -5.448 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.199 5.501 -4.559 1.00 0.15 H new ATOM 0 HH TYR A 79 8.738 4.577 -6.514 1.00 0.19 H new ATOM 1166 N TYR A 80 3.158 2.463 -0.245 1.00 0.07 N ATOM 1167 CA TYR A 80 2.218 1.882 0.679 1.00 0.07 C ATOM 1168 C TYR A 80 2.128 0.395 0.448 1.00 0.09 C ATOM 1169 O TYR A 80 2.083 -0.052 -0.690 1.00 0.13 O ATOM 1170 CB TYR A 80 0.844 2.504 0.478 1.00 0.07 C ATOM 1171 CG TYR A 80 0.692 3.890 1.045 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.212 5.001 0.393 1.00 0.09 C ATOM 1173 CD2 TYR A 80 0.003 4.085 2.232 1.00 0.09 C ATOM 1174 CE1 TYR A 80 1.045 6.270 0.910 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.165 5.350 2.755 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.356 6.436 2.091 1.00 0.11 C ATOM 1177 OH TYR A 80 0.172 7.696 2.605 1.00 0.16 O ATOM 0 H TYR A 80 2.939 2.281 -1.225 1.00 0.07 H new ATOM 0 HA TYR A 80 2.559 2.073 1.697 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.628 2.537 -0.590 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.096 1.855 0.934 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.755 4.870 -0.532 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.408 3.234 2.755 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.452 7.126 0.392 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.703 5.487 3.681 1.00 0.11 H new ATOM 0 HH TYR A 80 -0.068 8.312 1.882 1.00 0.16 H new ATOM 1187 N ASN A 81 2.090 -0.372 1.508 1.00 0.10 N ATOM 1188 CA ASN A 81 1.923 -1.803 1.355 1.00 0.14 C ATOM 1189 C ASN A 81 0.471 -2.149 1.514 1.00 0.08 C ATOM 1190 O ASN A 81 -0.232 -1.572 2.340 1.00 0.11 O ATOM 1191 CB ASN A 81 2.734 -2.623 2.363 1.00 0.32 C ATOM 1192 CG ASN A 81 4.222 -2.527 2.159 1.00 0.60 C ATOM 1193 OD1 ASN A 81 4.689 -2.211 1.075 1.00 1.56 O ATOM 1194 ND2 ASN A 81 4.980 -2.819 3.200 1.00 0.33 N ATOM 0 H ASN A 81 2.170 -0.043 2.470 1.00 0.10 H new ATOM 0 HA ASN A 81 2.292 -2.057 0.361 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.491 -2.287 3.371 1.00 0.32 H new ATOM 0 HB3 ASN A 81 2.433 -3.668 2.294 1.00 0.32 H new ATOM 0 HD21 ASN A 81 5.996 -2.785 3.117 1.00 0.33 H new ATOM 0 HD22 ASN A 81 4.550 -3.078 4.088 1.00 0.33 H new ATOM 1201 N LEU A 82 0.031 -3.085 0.720 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.317 -3.568 0.804 1.00 0.06 C ATOM 1203 C LEU A 82 -1.277 -4.936 1.439 1.00 0.06 C ATOM 1204 O LEU A 82 -0.500 -5.801 1.038 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.928 -3.644 -0.588 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.398 -3.218 -0.711 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.196 -4.269 -1.465 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -4.019 -2.959 0.654 1.00 0.08 C ATOM 0 H LEU A 82 0.596 -3.533 -0.002 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.930 -2.895 1.403 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.334 -3.021 -1.257 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.838 -4.670 -0.945 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.426 -2.285 -1.273 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.235 -3.950 -1.543 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.779 -4.395 -2.464 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.146 -5.217 -0.930 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -5.060 -2.660 0.529 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -3.972 -3.868 1.253 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.470 -2.163 1.158 1.00 0.08 H new ATOM 1220 N TYR A 83 -2.068 -5.091 2.460 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.103 -6.301 3.238 1.00 0.06 C ATOM 1222 C TYR A 83 -3.498 -6.871 3.251 1.00 0.06 C ATOM 1223 O TYR A 83 -4.475 -6.182 2.963 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.663 -5.994 4.670 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.222 -5.584 4.786 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.802 -6.506 4.602 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.119 -4.282 5.084 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.125 -6.129 4.710 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.435 -3.899 5.195 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.438 -4.831 4.992 1.00 0.16 C ATOM 1231 OH TYR A 83 3.750 -4.430 5.106 1.00 0.19 O ATOM 0 H TYR A 83 -2.717 -4.373 2.782 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.427 -7.031 2.793 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.291 -5.198 5.071 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.831 -6.875 5.289 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.558 -7.533 4.371 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.661 -3.550 5.233 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.910 -6.858 4.572 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.685 -2.877 5.439 1.00 0.15 H new ATOM 0 HH TYR A 83 4.340 -5.201 4.973 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.569 -8.141 3.548 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.826 -8.806 3.776 1.00 0.08 C ATOM 1243 C LYS A 84 -5.317 -8.466 5.171 1.00 0.08 C ATOM 1244 O LYS A 84 -4.544 -7.949 5.966 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.614 -10.308 3.635 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.307 -10.731 2.219 1.00 0.10 C ATOM 1247 CD LYS A 84 -4.111 -12.232 2.110 1.00 0.11 C ATOM 1248 CE LYS A 84 -4.193 -12.692 0.670 1.00 0.17 C ATOM 1249 NZ LYS A 84 -4.283 -14.170 0.549 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.754 -8.747 3.639 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.572 -8.481 3.051 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.796 -10.616 4.286 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.508 -10.829 3.978 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.121 -10.422 1.563 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.408 -10.221 1.874 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -3.142 -12.506 2.527 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.869 -12.744 2.702 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -5.063 -12.238 0.196 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.315 -12.339 0.129 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -4.337 -14.433 -0.456 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -3.441 -14.605 0.976 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -5.135 -14.507 1.041 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.590 -8.748 5.502 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.109 -8.547 6.859 1.00 0.09 C ATOM 1265 C PRO A 85 -6.307 -9.325 7.887 1.00 0.10 C ATOM 1266 O PRO A 85 -6.369 -9.058 9.087 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.525 -9.100 6.818 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.893 -9.206 5.378 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.616 -9.246 4.577 1.00 0.10 C ATOM 0 HA PRO A 85 -7.058 -7.496 7.144 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.576 -10.074 7.305 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.214 -8.443 7.348 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.484 -10.105 5.200 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.506 -8.357 5.077 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.390 -10.258 4.240 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.686 -8.621 3.687 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.559 -10.294 7.398 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.728 -11.117 8.249 1.00 0.13 C ATOM 1279 C ASP A 86 -3.359 -10.484 8.395 1.00 0.11 C ATOM 1280 O ASP A 86 -2.529 -10.932 9.176 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.599 -12.514 7.661 1.00 0.20 C ATOM 1282 CG ASP A 86 -3.897 -13.495 8.581 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -2.674 -13.702 8.428 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -4.573 -14.078 9.453 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.511 -10.531 6.407 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.191 -11.194 9.233 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -5.593 -12.895 7.428 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -4.052 -12.455 6.720 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.149 -9.415 7.643 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.881 -8.729 7.651 1.00 0.10 C ATOM 1291 C GLY A 87 -0.951 -9.266 6.583 1.00 0.10 C ATOM 1292 O GLY A 87 0.182 -8.821 6.455 1.00 0.11 O ATOM 0 H GLY A 87 -3.847 -9.008 7.020 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -2.042 -7.663 7.492 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.414 -8.838 8.630 1.00 0.10 H new ATOM 1296 N THR A 88 -1.436 -10.210 5.793 1.00 0.10 N ATOM 1297 CA THR A 88 -0.619 -10.827 4.765 1.00 0.10 C ATOM 1298 C THR A 88 -0.236 -9.828 3.678 1.00 0.08 C ATOM 1299 O THR A 88 -1.101 -9.227 3.043 1.00 0.09 O ATOM 1300 CB THR A 88 -1.351 -12.021 4.137 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.383 -13.121 5.053 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.696 -12.434 2.832 1.00 0.13 C ATOM 0 H THR A 88 -2.391 -10.565 5.845 1.00 0.10 H new ATOM 0 HA THR A 88 0.295 -11.177 5.244 1.00 0.10 H new ATOM 0 HB THR A 88 -2.375 -11.718 3.919 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.854 -13.876 4.642 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.234 -13.282 2.407 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.723 -11.599 2.131 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.340 -12.718 3.019 1.00 0.13 H new ATOM 1310 N TYR A 89 1.068 -9.644 3.500 1.00 0.08 N ATOM 1311 CA TYR A 89 1.597 -8.791 2.445 1.00 0.08 C ATOM 1312 C TYR A 89 1.111 -9.212 1.072 1.00 0.08 C ATOM 1313 O TYR A 89 1.231 -10.368 0.666 1.00 0.11 O ATOM 1314 CB TYR A 89 3.123 -8.818 2.488 1.00 0.09 C ATOM 1315 CG TYR A 89 3.790 -8.045 1.371 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.161 -8.689 0.196 1.00 0.11 C ATOM 1317 CD2 TYR A 89 4.051 -6.682 1.485 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.770 -8.002 -0.830 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.662 -5.989 0.456 1.00 0.15 C ATOM 1320 CZ TYR A 89 5.019 -6.657 -0.699 1.00 0.16 C ATOM 1321 OH TYR A 89 5.628 -5.978 -1.729 1.00 0.20 O ATOM 0 H TYR A 89 1.784 -10.080 4.081 1.00 0.08 H new ATOM 0 HA TYR A 89 1.234 -7.778 2.621 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.455 -8.413 3.444 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.458 -9.854 2.448 1.00 0.09 H new ATOM 0 HD1 TYR A 89 3.968 -9.746 0.086 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.773 -6.160 2.388 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.051 -8.519 -1.736 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.859 -4.932 0.555 1.00 0.15 H new ATOM 0 HH TYR A 89 5.719 -5.032 -1.489 1.00 0.20 H new ATOM 1331 N LEU A 90 0.555 -8.244 0.381 1.00 0.07 N ATOM 1332 CA LEU A 90 0.083 -8.413 -0.973 1.00 0.07 C ATOM 1333 C LEU A 90 1.052 -7.757 -1.953 1.00 0.06 C ATOM 1334 O LEU A 90 1.568 -8.410 -2.860 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.294 -7.783 -1.061 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.328 -8.421 -0.138 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.555 -7.544 -0.043 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.698 -9.809 -0.627 1.00 0.12 C ATOM 0 H LEU A 90 0.416 -7.303 0.750 1.00 0.07 H new ATOM 0 HA LEU A 90 0.024 -9.470 -1.234 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.213 -6.723 -0.821 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.649 -7.851 -2.089 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.893 -8.517 0.857 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.285 -8.010 0.618 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.275 -6.569 0.355 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.991 -7.419 -1.034 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.436 -10.247 0.045 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -3.116 -9.741 -1.631 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.808 -10.437 -0.646 1.00 0.12 H new ATOM 1350 N PHE A 91 1.305 -6.465 -1.750 1.00 0.06 N ATOM 1351 CA PHE A 91 2.290 -5.730 -2.552 1.00 0.06 C ATOM 1352 C PHE A 91 2.620 -4.384 -1.940 1.00 0.05 C ATOM 1353 O PHE A 91 2.017 -3.964 -0.953 1.00 0.07 O ATOM 1354 CB PHE A 91 1.818 -5.487 -3.989 1.00 0.07 C ATOM 1355 CG PHE A 91 0.433 -4.928 -4.123 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.625 -5.756 -4.441 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.190 -3.570 -3.947 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.896 -5.249 -4.580 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.075 -3.062 -4.085 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.123 -3.901 -4.401 1.00 0.13 C ATOM 0 H PHE A 91 0.842 -5.902 -1.036 1.00 0.06 H new ATOM 0 HA PHE A 91 3.176 -6.365 -2.566 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.516 -4.804 -4.473 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.866 -6.430 -4.534 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.453 -6.813 -4.582 1.00 0.12 H new ATOM 0 HD2 PHE A 91 1.007 -2.909 -3.699 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.716 -5.907 -4.829 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.251 -2.006 -3.946 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.121 -3.502 -4.508 1.00 0.13 H new ATOM 1370 N THR A 92 3.585 -3.727 -2.556 1.00 0.05 N ATOM 1371 CA THR A 92 3.922 -2.356 -2.250 1.00 0.05 C ATOM 1372 C THR A 92 3.513 -1.485 -3.417 1.00 0.05 C ATOM 1373 O THR A 92 3.922 -1.725 -4.544 1.00 0.09 O ATOM 1374 CB THR A 92 5.426 -2.172 -2.027 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.906 -3.027 -0.982 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.725 -0.720 -1.713 1.00 0.09 C ATOM 0 H THR A 92 4.161 -4.138 -3.291 1.00 0.05 H new ATOM 0 HA THR A 92 3.399 -2.079 -1.334 1.00 0.05 H new ATOM 0 HB THR A 92 5.947 -2.452 -2.943 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.255 -3.045 -0.249 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.796 -0.595 -1.555 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.405 -0.094 -2.546 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.189 -0.425 -0.811 1.00 0.09 H new ATOM 1384 N LEU A 93 2.710 -0.491 -3.158 1.00 0.05 N ATOM 1385 CA LEU A 93 2.218 0.360 -4.206 1.00 0.05 C ATOM 1386 C LEU A 93 2.793 1.752 -4.081 1.00 0.06 C ATOM 1387 O LEU A 93 3.312 2.145 -3.037 1.00 0.06 O ATOM 1388 CB LEU A 93 0.705 0.399 -4.164 1.00 0.05 C ATOM 1389 CG LEU A 93 0.121 1.177 -3.000 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.256 2.596 -3.426 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.069 0.428 -2.444 1.00 0.06 C ATOM 0 H LEU A 93 2.380 -0.249 -2.224 1.00 0.05 H new ATOM 0 HA LEU A 93 2.534 -0.046 -5.167 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.341 0.836 -5.094 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.330 -0.624 -4.124 1.00 0.05 H new ATOM 0 HG LEU A 93 0.872 1.270 -2.215 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.672 3.133 -2.574 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.632 3.116 -3.784 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.997 2.552 -4.224 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.491 0.985 -1.607 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.824 0.315 -3.222 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.751 -0.557 -2.101 1.00 0.06 H new ATOM 1403 N ASN A 94 2.682 2.477 -5.160 1.00 0.06 N ATOM 1404 CA ASN A 94 3.096 3.856 -5.223 1.00 0.08 C ATOM 1405 C ASN A 94 1.849 4.692 -5.127 1.00 0.09 C ATOM 1406 O ASN A 94 0.936 4.516 -5.915 1.00 0.15 O ATOM 1407 CB ASN A 94 3.785 4.127 -6.557 1.00 0.09 C ATOM 1408 CG ASN A 94 4.504 5.462 -6.611 1.00 0.19 C ATOM 1409 OD1 ASN A 94 4.059 6.453 -6.033 1.00 1.15 O ATOM 1410 ND2 ASN A 94 5.624 5.496 -7.316 1.00 0.87 N ATOM 0 H ASN A 94 2.296 2.123 -6.035 1.00 0.06 H new ATOM 0 HA ASN A 94 3.793 4.090 -4.419 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.502 3.330 -6.754 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.042 4.092 -7.354 1.00 0.09 H new ATOM 0 HD21 ASN A 94 6.151 6.366 -7.395 1.00 0.87 H new ATOM 0 HD22 ASN A 94 5.960 4.652 -7.781 1.00 0.87 H new ATOM 1417 N CYS A 95 1.783 5.569 -4.162 1.00 0.07 N ATOM 1418 CA CYS A 95 0.602 6.375 -3.983 1.00 0.07 C ATOM 1419 C CYS A 95 0.562 7.446 -5.052 1.00 0.08 C ATOM 1420 O CYS A 95 -0.482 7.727 -5.630 1.00 0.10 O ATOM 1421 CB CYS A 95 0.614 7.005 -2.598 1.00 0.09 C ATOM 1422 SG CYS A 95 1.886 8.250 -2.357 1.00 0.18 S ATOM 0 H CYS A 95 2.529 5.745 -3.489 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.287 5.751 -4.072 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.360 7.457 -2.410 1.00 0.09 H new ATOM 0 HB3 CYS A 95 0.748 6.218 -1.856 1.00 0.09 H new ATOM 0 HG CYS A 95 3.039 7.669 -2.207 1.00 0.18 H new ATOM 1428 N LYS A 96 1.729 7.983 -5.358 1.00 0.09 N ATOM 1429 CA LYS A 96 1.840 9.135 -6.218 1.00 0.10 C ATOM 1430 C LYS A 96 1.574 8.779 -7.665 1.00 0.11 C ATOM 1431 O LYS A 96 1.201 9.633 -8.470 1.00 0.17 O ATOM 1432 CB LYS A 96 3.212 9.764 -6.042 1.00 0.10 C ATOM 1433 CG LYS A 96 3.313 10.541 -4.769 1.00 0.11 C ATOM 1434 CD LYS A 96 2.615 11.871 -4.871 1.00 0.18 C ATOM 1435 CE LYS A 96 3.264 12.846 -3.931 1.00 0.22 C ATOM 1436 NZ LYS A 96 2.661 14.203 -4.016 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.622 7.630 -5.015 1.00 0.09 H new ATOM 0 HA LYS A 96 1.079 9.861 -5.933 1.00 0.10 H new ATOM 0 HB2 LYS A 96 3.973 8.983 -6.051 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.420 10.422 -6.886 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.877 9.963 -3.954 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.363 10.699 -4.522 1.00 0.11 H new ATOM 0 HD2 LYS A 96 2.667 12.245 -5.894 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.559 11.760 -4.626 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.176 12.476 -2.910 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.329 12.910 -4.156 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.362 14.872 -4.393 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 1.834 14.177 -4.646 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.364 14.511 -3.068 1.00 0.31 H new ATOM 1450 N THR A 97 1.753 7.516 -7.994 1.00 0.11 N ATOM 1451 CA THR A 97 1.522 7.062 -9.346 1.00 0.11 C ATOM 1452 C THR A 97 0.393 6.041 -9.387 1.00 0.11 C ATOM 1453 O THR A 97 -0.265 5.862 -10.415 1.00 0.12 O ATOM 1454 CB THR A 97 2.803 6.455 -9.930 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.027 5.152 -9.380 1.00 0.11 O ATOM 1456 CG2 THR A 97 3.985 7.353 -9.601 1.00 0.15 C ATOM 0 H THR A 97 2.057 6.790 -7.345 1.00 0.11 H new ATOM 0 HA THR A 97 1.232 7.922 -9.950 1.00 0.11 H new ATOM 0 HB THR A 97 2.695 6.371 -11.011 1.00 0.12 H new ATOM 0 HG1 THR A 97 3.920 4.839 -9.634 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.896 6.922 -10.016 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.822 8.341 -10.032 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.085 7.441 -8.519 1.00 0.15 H new ATOM 1464 N GLY A 98 0.167 5.386 -8.250 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.855 4.372 -8.159 1.00 0.10 C ATOM 1466 C GLY A 98 -0.396 3.058 -8.754 1.00 0.10 C ATOM 1467 O GLY A 98 -1.207 2.186 -9.071 1.00 0.13 O ATOM 0 H GLY A 98 0.683 5.547 -7.385 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.127 4.223 -7.114 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.752 4.712 -8.677 1.00 0.10 H new ATOM 1471 N TYR A 99 0.914 2.934 -8.931 1.00 0.10 N ATOM 1472 CA TYR A 99 1.521 1.699 -9.371 1.00 0.12 C ATOM 1473 C TYR A 99 1.623 0.743 -8.195 1.00 0.09 C ATOM 1474 O TYR A 99 1.397 1.136 -7.056 1.00 0.09 O ATOM 1475 CB TYR A 99 2.914 1.986 -9.928 1.00 0.18 C ATOM 1476 CG TYR A 99 3.334 1.015 -10.997 1.00 0.33 C ATOM 1477 CD1 TYR A 99 2.790 1.102 -12.264 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.257 0.014 -10.741 1.00 0.48 C ATOM 1479 CE1 TYR A 99 3.151 0.215 -13.259 1.00 0.60 C ATOM 1480 CE2 TYR A 99 4.629 -0.877 -11.728 1.00 0.64 C ATOM 1481 CZ TYR A 99 4.073 -0.774 -12.985 1.00 0.69 C ATOM 1482 OH TYR A 99 4.438 -1.663 -13.971 1.00 0.85 O ATOM 0 H TYR A 99 1.579 3.691 -8.772 1.00 0.10 H new ATOM 0 HA TYR A 99 0.910 1.247 -10.152 1.00 0.12 H new ATOM 0 HB2 TYR A 99 2.935 2.997 -10.335 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.638 1.956 -9.113 1.00 0.18 H new ATOM 0 HD1 TYR A 99 2.070 1.877 -12.480 1.00 0.43 H new ATOM 0 HD2 TYR A 99 4.692 -0.071 -9.756 1.00 0.48 H new ATOM 0 HE1 TYR A 99 2.715 0.295 -14.244 1.00 0.60 H new ATOM 0 HE2 TYR A 99 5.352 -1.651 -11.516 1.00 0.64 H new ATOM 0 HH TYR A 99 5.097 -2.295 -13.614 1.00 0.85 H new ATOM 1492 N PHE A 100 1.956 -0.502 -8.467 1.00 0.10 N ATOM 1493 CA PHE A 100 2.180 -1.470 -7.412 1.00 0.09 C ATOM 1494 C PHE A 100 3.193 -2.517 -7.824 1.00 0.10 C ATOM 1495 O PHE A 100 3.223 -2.974 -8.967 1.00 0.13 O ATOM 1496 CB PHE A 100 0.873 -2.114 -6.943 1.00 0.10 C ATOM 1497 CG PHE A 100 0.034 -2.696 -8.040 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.889 -1.914 -8.714 1.00 0.13 C ATOM 1499 CD2 PHE A 100 0.177 -4.022 -8.400 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.656 -2.446 -9.730 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.588 -4.562 -9.415 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.536 -3.771 -10.060 1.00 0.20 C ATOM 0 H PHE A 100 2.078 -0.868 -9.411 1.00 0.10 H new ATOM 0 HA PHE A 100 2.595 -0.926 -6.563 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.108 -2.901 -6.227 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.285 -1.366 -6.412 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -1.010 -0.876 -8.441 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.894 -4.642 -7.883 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.352 -1.818 -10.266 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.452 -5.593 -9.707 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.175 -4.200 -10.818 1.00 0.20 H new ATOM 1512 N VAL A 101 4.023 -2.870 -6.865 1.00 0.08 N ATOM 1513 CA VAL A 101 5.147 -3.751 -7.082 1.00 0.09 C ATOM 1514 C VAL A 101 4.913 -5.069 -6.357 1.00 0.10 C ATOM 1515 O VAL A 101 4.386 -5.093 -5.243 1.00 0.12 O ATOM 1516 CB VAL A 101 6.463 -3.094 -6.578 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.407 -1.584 -6.740 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.764 -3.465 -5.137 1.00 0.10 C ATOM 0 H VAL A 101 3.933 -2.548 -5.901 1.00 0.08 H new ATOM 0 HA VAL A 101 5.243 -3.939 -8.151 1.00 0.09 H new ATOM 0 HB VAL A 101 7.275 -3.481 -7.193 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.338 -1.145 -6.381 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.271 -1.336 -7.793 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.572 -1.187 -6.163 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.691 -2.985 -4.824 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.948 -3.130 -4.497 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.869 -4.547 -5.054 1.00 0.10 H new ATOM 1528 N GLY A 102 5.282 -6.157 -6.992 1.00 0.11 N ATOM 1529 CA GLY A 102 5.148 -7.451 -6.360 1.00 0.16 C ATOM 1530 C GLY A 102 6.438 -7.852 -5.684 1.00 0.23 C ATOM 1531 O GLY A 102 7.427 -7.120 -5.758 1.00 0.49 O ATOM 0 H GLY A 102 5.673 -6.175 -7.934 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.342 -7.421 -5.627 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.875 -8.198 -7.105 1.00 0.16 H new ATOM 1535 N ASN A 103 6.451 -8.999 -5.028 1.00 0.28 N ATOM 1536 CA ASN A 103 7.644 -9.436 -4.321 1.00 0.34 C ATOM 1537 C ASN A 103 8.086 -10.815 -4.790 1.00 0.52 C ATOM 1538 O ASN A 103 7.422 -11.451 -5.614 1.00 1.18 O ATOM 1539 CB ASN A 103 7.424 -9.429 -2.800 1.00 0.57 C ATOM 1540 CG ASN A 103 6.521 -10.546 -2.303 1.00 0.56 C ATOM 1541 OD1 ASN A 103 5.624 -11.007 -3.009 1.00 1.18 O ATOM 1542 ND2 ASN A 103 6.747 -10.977 -1.072 1.00 0.52 N ATOM 0 H ASN A 103 5.659 -9.639 -4.969 1.00 0.28 H new ATOM 0 HA ASN A 103 8.439 -8.727 -4.552 1.00 0.34 H new ATOM 0 HB2 ASN A 103 8.391 -9.508 -2.303 1.00 0.57 H new ATOM 0 HB3 ASN A 103 6.994 -8.471 -2.509 1.00 0.57 H new ATOM 0 HD21 ASN A 103 6.168 -11.717 -0.676 1.00 0.52 H new ATOM 0 HD22 ASN A 103 7.501 -10.569 -0.519 1.00 0.52 H new ATOM 1549 N GLY A 104 9.213 -11.261 -4.266 1.00 1.34 N ATOM 1550 CA GLY A 104 9.779 -12.529 -4.660 1.00 1.58 C ATOM 1551 C GLY A 104 11.251 -12.592 -4.326 1.00 1.94 C ATOM 1552 O GLY A 104 11.965 -11.595 -4.462 1.00 2.58 O ATOM 0 H GLY A 104 9.754 -10.757 -3.563 1.00 1.34 H new ATOM 0 HA2 GLY A 104 9.253 -13.339 -4.155 1.00 1.58 H new ATOM 0 HA3 GLY A 104 9.639 -12.677 -5.731 1.00 1.58 H new ATOM 1556 N ALA A 105 11.704 -13.745 -3.872 1.00 2.18 N ATOM 1557 CA ALA A 105 13.094 -13.913 -3.486 1.00 2.72 C ATOM 1558 C ALA A 105 13.989 -14.019 -4.712 1.00 2.38 C ATOM 1559 O ALA A 105 13.909 -14.989 -5.470 1.00 2.80 O ATOM 1560 CB ALA A 105 13.251 -15.141 -2.602 1.00 3.51 C ATOM 0 H ALA A 105 11.130 -14.581 -3.761 1.00 2.18 H new ATOM 0 HA ALA A 105 13.401 -13.034 -2.920 1.00 2.72 H new ATOM 0 HB1 ALA A 105 14.298 -15.255 -2.320 1.00 3.51 H new ATOM 0 HB2 ALA A 105 12.644 -15.023 -1.704 1.00 3.51 H new ATOM 0 HB3 ALA A 105 12.924 -16.026 -3.147 1.00 3.51 H new ATOM 1566 N GLY A 106 14.825 -13.014 -4.920 1.00 2.15 N ATOM 1567 CA GLY A 106 15.769 -13.058 -6.012 1.00 2.11 C ATOM 1568 C GLY A 106 15.976 -11.708 -6.664 1.00 1.71 C ATOM 1569 O GLY A 106 16.989 -11.050 -6.436 1.00 2.30 O ATOM 0 H GLY A 106 14.865 -12.169 -4.351 1.00 2.15 H new ATOM 0 HA2 GLY A 106 16.726 -13.429 -5.644 1.00 2.11 H new ATOM 0 HA3 GLY A 106 15.418 -13.768 -6.761 1.00 2.11 H new ATOM 1573 N HIS A 107 15.013 -11.289 -7.464 1.00 1.52 N ATOM 1574 CA HIS A 107 15.150 -10.069 -8.247 1.00 1.72 C ATOM 1575 C HIS A 107 14.067 -9.063 -7.875 1.00 1.44 C ATOM 1576 O HIS A 107 12.889 -9.407 -7.812 1.00 1.91 O ATOM 1577 CB HIS A 107 15.072 -10.408 -9.740 1.00 2.56 C ATOM 1578 CG HIS A 107 15.332 -9.250 -10.656 1.00 3.15 C ATOM 1579 ND1 HIS A 107 16.595 -8.880 -11.064 1.00 3.92 N ATOM 1580 CD2 HIS A 107 14.479 -8.391 -11.262 1.00 3.70 C ATOM 1581 CE1 HIS A 107 16.507 -7.844 -11.879 1.00 4.69 C ATOM 1582 NE2 HIS A 107 15.234 -7.529 -12.015 1.00 4.59 N ATOM 0 H HIS A 107 14.125 -11.775 -7.591 1.00 1.52 H new ATOM 0 HA HIS A 107 16.118 -9.618 -8.030 1.00 1.72 H new ATOM 0 HB2 HIS A 107 15.792 -11.196 -9.959 1.00 2.56 H new ATOM 0 HB3 HIS A 107 14.083 -10.811 -9.957 1.00 2.56 H new ATOM 0 HD2 HIS A 107 13.403 -8.386 -11.169 1.00 3.70 H new ATOM 0 HE1 HIS A 107 17.337 -7.341 -12.353 1.00 4.69 H new ATOM 0 HE2 HIS A 107 14.870 -6.767 -12.588 1.00 4.59 H new ATOM 1591 N ALA A 108 14.475 -7.823 -7.631 1.00 0.96 N ATOM 1592 CA ALA A 108 13.537 -6.747 -7.344 1.00 0.74 C ATOM 1593 C ALA A 108 12.680 -6.462 -8.553 1.00 0.74 C ATOM 1594 O ALA A 108 13.173 -6.074 -9.613 1.00 0.95 O ATOM 1595 CB ALA A 108 14.272 -5.488 -6.934 1.00 0.75 C ATOM 0 H ALA A 108 15.454 -7.538 -7.627 1.00 0.96 H new ATOM 0 HA ALA A 108 12.900 -7.066 -6.519 1.00 0.74 H new ATOM 0 HB1 ALA A 108 13.551 -4.698 -6.725 1.00 0.75 H new ATOM 0 HB2 ALA A 108 14.863 -5.687 -6.040 1.00 0.75 H new ATOM 0 HB3 ALA A 108 14.932 -5.172 -7.742 1.00 0.75 H new ATOM 1601 N ASP A 109 11.389 -6.663 -8.367 1.00 0.65 N ATOM 1602 CA ASP A 109 10.407 -6.466 -9.411 1.00 0.72 C ATOM 1603 C ASP A 109 10.462 -5.057 -9.981 1.00 0.71 C ATOM 1604 O ASP A 109 10.722 -4.868 -11.166 1.00 0.84 O ATOM 1605 CB ASP A 109 9.013 -6.754 -8.863 1.00 0.74 C ATOM 1606 CG ASP A 109 8.796 -8.230 -8.591 1.00 1.42 C ATOM 1607 OD1 ASP A 109 9.196 -8.709 -7.511 1.00 2.21 O ATOM 1608 OD2 ASP A 109 8.209 -8.916 -9.451 1.00 1.59 O1- ATOM 0 H ASP A 109 10.991 -6.970 -7.479 1.00 0.65 H new ATOM 0 HA ASP A 109 10.636 -7.157 -10.222 1.00 0.72 H new ATOM 0 HB2 ASP A 109 8.864 -6.191 -7.942 1.00 0.74 H new ATOM 0 HB3 ASP A 109 8.266 -6.404 -9.575 1.00 0.74 H new ATOM 1613 N ASP A 110 10.220 -4.071 -9.139 1.00 0.62 N ATOM 1614 CA ASP A 110 10.151 -2.689 -9.597 1.00 0.66 C ATOM 1615 C ASP A 110 11.237 -1.841 -8.990 1.00 0.64 C ATOM 1616 O ASP A 110 11.460 -0.705 -9.402 1.00 0.78 O ATOM 1617 CB ASP A 110 8.810 -2.087 -9.231 1.00 0.68 C ATOM 1618 CG ASP A 110 7.689 -2.594 -10.109 1.00 1.43 C ATOM 1619 OD1 ASP A 110 7.391 -1.954 -11.138 1.00 1.49 O ATOM 1620 OD2 ASP A 110 7.089 -3.634 -9.762 1.00 2.37 O1- ATOM 0 H ASP A 110 10.068 -4.196 -8.138 1.00 0.62 H new ATOM 0 HA ASP A 110 10.283 -2.703 -10.679 1.00 0.66 H new ATOM 0 HB2 ASP A 110 8.584 -2.317 -8.190 1.00 0.68 H new ATOM 0 HB3 ASP A 110 8.868 -1.002 -9.312 1.00 0.68 H new ATOM 1625 N LEU A 111 11.909 -2.389 -8.007 1.00 0.56 N ATOM 1626 CA LEU A 111 12.763 -1.589 -7.165 1.00 0.60 C ATOM 1627 C LEU A 111 14.160 -1.487 -7.739 1.00 0.75 C ATOM 1628 O LEU A 111 14.598 -2.334 -8.525 1.00 0.81 O ATOM 1629 CB LEU A 111 12.821 -2.146 -5.747 1.00 0.58 C ATOM 1630 CG LEU A 111 11.481 -2.282 -5.011 1.00 0.47 C ATOM 1631 CD1 LEU A 111 10.618 -1.055 -5.205 1.00 0.51 C ATOM 1632 CD2 LEU A 111 10.735 -3.518 -5.467 1.00 0.55 C ATOM 0 H LEU A 111 11.881 -3.381 -7.771 1.00 0.56 H new ATOM 0 HA LEU A 111 12.331 -0.589 -7.126 1.00 0.60 H new ATOM 0 HB2 LEU A 111 13.291 -3.129 -5.785 1.00 0.58 H new ATOM 0 HB3 LEU A 111 13.473 -1.504 -5.154 1.00 0.58 H new ATOM 0 HG LEU A 111 11.703 -2.380 -3.948 1.00 0.47 H new ATOM 0 HD11 LEU A 111 9.677 -1.184 -4.671 1.00 0.51 H new ATOM 0 HD12 LEU A 111 11.138 -0.179 -4.817 1.00 0.51 H new ATOM 0 HD13 LEU A 111 10.416 -0.916 -6.267 1.00 0.51 H new ATOM 0 HD21 LEU A 111 9.789 -3.591 -4.930 1.00 0.55 H new ATOM 0 HD22 LEU A 111 10.541 -3.451 -6.537 1.00 0.55 H new ATOM 0 HD23 LEU A 111 11.338 -4.403 -5.262 1.00 0.55 H new ATOM 1644 N ASP A 112 14.847 -0.457 -7.307 1.00 0.86 N ATOM 1645 CA ASP A 112 16.147 -0.092 -7.844 1.00 1.05 C ATOM 1646 C ASP A 112 16.861 0.846 -6.884 1.00 1.03 C ATOM 1647 O ASP A 112 18.092 0.917 -6.858 1.00 1.16 O ATOM 1648 CB ASP A 112 15.953 0.594 -9.190 1.00 1.26 C ATOM 1649 CG ASP A 112 17.257 0.941 -9.884 1.00 1.52 C ATOM 1650 OD1 ASP A 112 17.857 0.049 -10.521 1.00 1.68 O ATOM 1651 OD2 ASP A 112 17.699 2.104 -9.785 1.00 1.61 O1- ATOM 0 H ASP A 112 14.520 0.162 -6.565 1.00 0.86 H new ATOM 0 HA ASP A 112 16.754 -0.988 -7.973 1.00 1.05 H new ATOM 0 HB2 ASP A 112 15.366 -0.056 -9.839 1.00 1.26 H new ATOM 0 HB3 ASP A 112 15.374 1.506 -9.044 1.00 1.26 H new ATOM 1656 N TYR A 113 16.066 1.551 -6.084 1.00 0.96 N ATOM 1657 CA TYR A 113 16.564 2.553 -5.158 1.00 1.04 C ATOM 1658 C TYR A 113 17.611 1.975 -4.204 1.00 1.23 C ATOM 1659 O TYR A 113 18.724 2.536 -4.140 1.00 1.72 O ATOM 1660 CB TYR A 113 15.391 3.171 -4.384 1.00 0.90 C ATOM 1661 CG TYR A 113 14.691 2.239 -3.414 1.00 1.26 C ATOM 1662 CD1 TYR A 113 14.732 2.449 -2.036 1.00 2.09 C ATOM 1663 CD2 TYR A 113 13.990 1.135 -3.886 1.00 1.41 C ATOM 1664 CE1 TYR A 113 14.090 1.586 -1.167 1.00 2.87 C ATOM 1665 CE2 TYR A 113 13.349 0.273 -3.022 1.00 2.14 C ATOM 1666 CZ TYR A 113 13.412 0.559 -1.603 1.00 2.88 C ATOM 1667 OH TYR A 113 12.757 -0.357 -0.808 1.00 3.71 O ATOM 1668 OXT TYR A 113 17.337 0.946 -3.549 1.00 1.79 O ATOM 0 H TYR A 113 15.052 1.439 -6.063 1.00 0.96 H new ATOM 0 HA TYR A 113 17.060 3.334 -5.734 1.00 1.04 H new ATOM 0 HB2 TYR A 113 15.758 4.036 -3.831 1.00 0.90 H new ATOM 0 HB3 TYR A 113 14.658 3.539 -5.101 1.00 0.90 H new ATOM 0 HD1 TYR A 113 15.272 3.297 -1.642 1.00 2.09 H new ATOM 0 HD2 TYR A 113 13.947 0.949 -4.949 1.00 1.41 H new ATOM 0 HE1 TYR A 113 14.151 1.766 -0.104 1.00 2.87 H new ATOM 0 HE2 TYR A 113 12.816 -0.590 -3.392 1.00 2.14 H new ATOM 0 HH TYR A 113 13.224 -0.439 0.049 1.00 3.71 H new TER 1678 TYR A 113