USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 960 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 29 SER OG : rot 180:sc=-0.00337 USER MOD Set 2.2: A 49 ASN : amide:sc= -4.16! C(o=-8.6!,f=-14!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= -4.41! C(o=-8.6!,f=-9.9!) USER MOD Set 3.1: A 28 SER OG : rot 118:sc= -0.389 USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.751 USER MOD Set 4.1: A 24 ASN : amide:sc= -2.86 K(o=-4.3,f=-8.1!) USER MOD Set 4.2: A 26 SER OG : rot 180:sc= -1.44 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= -0.226 USER MOD Single : A 3 ASN : amide:sc=-0.00621 X(o=-0.0062,f=-0.066) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -0.94 (180deg=-1.22) USER MOD Single : A 23 ASN : amide:sc= -0.0667 X(o=-0.067,f=-0.18) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 148:sc= -8.52! (180deg=-11.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 110:sc= 0.444 USER MOD Single : A 52 MET CE :methyl -156:sc= -6.02! (180deg=-7.91!) USER MOD Single : A 53 ASN : amide:sc=-0.00197 X(o=-0.002,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.35 K(o=-2.3,f=-9.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 169:sc= -3.88 (180deg=-3.95) USER MOD Single : A 73 SER OG : rot 180:sc= -1.23 USER MOD Single : A 75 GLN : amide:sc= -8.96! C(o=-9!,f=-15!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.86 K(o=-1.9,f=-4.7!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 90 LYS NZ :NH3+ -138:sc= -0.87 (180deg=-2.67!) USER MOD Single : A 94 LYS NZ :NH3+ 137:sc= 1.23 (180deg=-0.833) USER MOD Single : A 95 ASN : amide:sc= -4.36! C(o=-4.4!,f=-7.2!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.137 USER MOD Single : A 106 LYS NZ :NH3+ -123:sc= 0.273 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00479 X(o=-0.0048,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -34:sc= 0.447 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.00018) USER MOD Single : A 125 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.69) USER MOD Single : A 126 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-1.7!) USER MOD Single : A 128 HIS : no HE2:sc= -0.912 K(o=-0.91,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.502 -4.671 -1.009 1.00 42.42 N ATOM 2 CA SER A 1 3.524 -4.880 -2.021 1.00 1.12 C ATOM 3 C SER A 1 3.383 -3.837 -3.131 1.00 53.31 C ATOM 4 O SER A 1 2.393 -3.832 -3.861 1.00 72.22 O ATOM 5 CB SER A 1 3.440 -6.291 -2.605 1.00 32.52 C ATOM 6 OG SER A 1 4.140 -6.400 -3.841 1.00 71.33 O ATOM 0 H1 SER A 1 2.605 -5.384 -0.259 1.00 42.42 H new ATOM 0 H2 SER A 1 2.607 -3.721 -0.600 1.00 42.42 H new ATOM 0 H3 SER A 1 1.561 -4.759 -1.443 1.00 42.42 H new ATOM 0 HA SER A 1 4.500 -4.769 -1.549 1.00 1.12 H new ATOM 0 HB2 SER A 1 3.852 -7.004 -1.891 1.00 32.52 H new ATOM 0 HB3 SER A 1 2.394 -6.559 -2.756 1.00 32.52 H new ATOM 0 HG SER A 1 4.064 -7.316 -4.180 1.00 71.33 H new ATOM 12 N SER A 2 4.387 -2.978 -3.223 1.00 43.24 N ATOM 13 CA SER A 2 4.387 -1.932 -4.232 1.00 65.24 C ATOM 14 C SER A 2 5.823 -1.612 -4.654 1.00 21.01 C ATOM 15 O SER A 2 6.775 -2.098 -4.046 1.00 24.12 O ATOM 16 CB SER A 2 3.691 -0.671 -3.718 1.00 45.51 C ATOM 17 OG SER A 2 3.607 0.339 -4.721 1.00 33.34 O ATOM 0 H SER A 2 5.206 -2.985 -2.615 1.00 43.24 H new ATOM 0 HA SER A 2 3.832 -2.292 -5.098 1.00 65.24 H new ATOM 0 HB2 SER A 2 2.688 -0.925 -3.374 1.00 45.51 H new ATOM 0 HB3 SER A 2 4.234 -0.282 -2.857 1.00 45.51 H new ATOM 0 HG SER A 2 3.155 1.127 -4.354 1.00 33.34 H new ATOM 23 N ASN A 3 5.933 -0.796 -5.692 1.00 30.20 N ATOM 24 CA ASN A 3 7.236 -0.405 -6.202 1.00 23.41 C ATOM 25 C ASN A 3 7.637 0.938 -5.589 1.00 22.11 C ATOM 26 O ASN A 3 6.871 1.533 -4.833 1.00 32.54 O ATOM 27 CB ASN A 3 7.206 -0.241 -7.723 1.00 11.43 C ATOM 28 CG ASN A 3 6.416 -1.374 -8.381 1.00 41.42 C ATOM 29 OD1 ASN A 3 6.541 -2.536 -8.033 1.00 33.22 O ATOM 30 ND2 ASN A 3 5.599 -0.971 -9.350 1.00 72.21 N ATOM 0 H ASN A 3 5.141 -0.395 -6.194 1.00 30.20 H new ATOM 0 HA ASN A 3 7.949 -1.186 -5.938 1.00 23.41 H new ATOM 0 HB2 ASN A 3 6.756 0.718 -7.980 1.00 11.43 H new ATOM 0 HB3 ASN A 3 8.224 -0.230 -8.111 1.00 11.43 H new ATOM 0 HD21 ASN A 3 5.029 -1.651 -9.852 1.00 72.21 H new ATOM 0 HD22 ASN A 3 5.543 0.018 -9.591 1.00 72.21 H new ATOM 37 N LEU A 4 8.838 1.377 -5.938 1.00 34.31 N ATOM 38 CA LEU A 4 9.350 2.639 -5.431 1.00 74.34 C ATOM 39 C LEU A 4 8.687 3.793 -6.187 1.00 21.24 C ATOM 40 O LEU A 4 8.727 3.840 -7.415 1.00 61.40 O ATOM 41 CB LEU A 4 10.878 2.660 -5.493 1.00 42.33 C ATOM 42 CG LEU A 4 11.594 1.494 -4.808 1.00 13.40 C ATOM 43 CD1 LEU A 4 13.082 1.480 -5.163 1.00 32.40 C ATOM 44 CD2 LEU A 4 11.366 1.524 -3.295 1.00 54.14 C ATOM 0 H LEU A 4 9.471 0.881 -6.566 1.00 34.31 H new ATOM 0 HA LEU A 4 9.095 2.759 -4.378 1.00 74.34 H new ATOM 0 HB2 LEU A 4 11.179 2.680 -6.540 1.00 42.33 H new ATOM 0 HB3 LEU A 4 11.227 3.589 -5.043 1.00 42.33 H new ATOM 0 HG LEU A 4 11.165 0.563 -5.180 1.00 13.40 H new ATOM 0 HD11 LEU A 4 13.567 0.642 -4.663 1.00 32.40 H new ATOM 0 HD12 LEU A 4 13.198 1.376 -6.242 1.00 32.40 H new ATOM 0 HD13 LEU A 4 13.543 2.413 -4.837 1.00 32.40 H new ATOM 0 HD21 LEU A 4 11.885 0.685 -2.832 1.00 54.14 H new ATOM 0 HD22 LEU A 4 11.751 2.459 -2.887 1.00 54.14 H new ATOM 0 HD23 LEU A 4 10.299 1.450 -3.086 1.00 54.14 H new ATOM 56 N THR A 5 8.093 4.696 -5.420 1.00 61.41 N ATOM 57 CA THR A 5 7.423 5.846 -6.001 1.00 51.44 C ATOM 58 C THR A 5 7.994 7.143 -5.425 1.00 13.43 C ATOM 59 O THR A 5 8.859 7.111 -4.551 1.00 64.35 O ATOM 60 CB THR A 5 5.920 5.687 -5.766 1.00 74.33 C ATOM 61 OG1 THR A 5 5.745 6.025 -4.393 1.00 41.22 O ATOM 62 CG2 THR A 5 5.465 4.228 -5.851 1.00 4.00 C ATOM 0 H THR A 5 8.062 4.654 -4.401 1.00 61.41 H new ATOM 0 HA THR A 5 7.594 5.901 -7.076 1.00 51.44 H new ATOM 0 HB THR A 5 5.374 6.281 -6.499 1.00 74.33 H new ATOM 0 HG1 THR A 5 4.797 5.950 -4.156 1.00 41.22 H new ATOM 0 HG21 THR A 5 4.391 4.171 -5.677 1.00 4.00 H new ATOM 0 HG22 THR A 5 5.693 3.833 -6.841 1.00 4.00 H new ATOM 0 HG23 THR A 5 5.987 3.640 -5.096 1.00 4.00 H new ATOM 70 N GLU A 6 7.486 8.255 -5.936 1.00 73.15 N ATOM 71 CA GLU A 6 7.934 9.561 -5.483 1.00 61.43 C ATOM 72 C GLU A 6 7.924 9.624 -3.955 1.00 11.24 C ATOM 73 O GLU A 6 8.820 10.209 -3.348 1.00 51.32 O ATOM 74 CB GLU A 6 7.074 10.675 -6.084 1.00 65.51 C ATOM 75 CG GLU A 6 5.636 10.596 -5.568 1.00 62.02 C ATOM 76 CD GLU A 6 4.755 11.652 -6.239 1.00 31.15 C ATOM 77 OE1 GLU A 6 3.789 12.132 -5.627 1.00 50.20 O ATOM 78 OE2 GLU A 6 5.104 11.972 -7.438 1.00 63.14 O ATOM 0 H GLU A 6 6.768 8.278 -6.660 1.00 73.15 H new ATOM 0 HA GLU A 6 8.957 9.712 -5.827 1.00 61.43 H new ATOM 0 HB2 GLU A 6 7.502 11.645 -5.832 1.00 65.51 H new ATOM 0 HB3 GLU A 6 7.079 10.597 -7.171 1.00 65.51 H new ATOM 0 HG2 GLU A 6 5.231 9.603 -5.761 1.00 62.02 H new ATOM 0 HG3 GLU A 6 5.625 10.741 -4.488 1.00 62.02 H new ATOM 86 N GLU A 7 6.900 9.014 -3.376 1.00 3.04 N ATOM 87 CA GLU A 7 6.762 8.994 -1.929 1.00 73.03 C ATOM 88 C GLU A 7 7.999 8.366 -1.286 1.00 65.51 C ATOM 89 O GLU A 7 8.752 9.043 -0.587 1.00 34.40 O ATOM 90 CB GLU A 7 5.490 8.253 -1.511 1.00 2.14 C ATOM 91 CG GLU A 7 4.240 9.018 -1.950 1.00 0.02 C ATOM 92 CD GLU A 7 4.373 10.510 -1.640 1.00 1.44 C ATOM 93 OE1 GLU A 7 4.145 11.350 -2.523 1.00 70.02 O ATOM 94 OE2 GLU A 7 4.727 10.786 -0.430 1.00 54.41 O ATOM 0 H GLU A 7 6.158 8.530 -3.882 1.00 3.04 H new ATOM 0 HA GLU A 7 6.677 10.022 -1.577 1.00 73.03 H new ATOM 0 HB2 GLU A 7 5.484 7.256 -1.952 1.00 2.14 H new ATOM 0 HB3 GLU A 7 5.480 8.123 -0.429 1.00 2.14 H new ATOM 0 HG2 GLU A 7 4.080 8.878 -3.019 1.00 0.02 H new ATOM 0 HG3 GLU A 7 3.365 8.614 -1.441 1.00 0.02 H new ATOM 102 N GLN A 8 8.173 7.078 -1.545 1.00 75.23 N ATOM 103 CA GLN A 8 9.306 6.350 -1.000 1.00 42.44 C ATOM 104 C GLN A 8 10.612 7.075 -1.334 1.00 72.22 C ATOM 105 O GLN A 8 11.377 7.428 -0.438 1.00 15.21 O ATOM 106 CB GLN A 8 9.332 4.910 -1.514 1.00 73.35 C ATOM 107 CG GLN A 8 8.033 4.180 -1.166 1.00 53.11 C ATOM 108 CD GLN A 8 8.191 3.361 0.117 1.00 51.33 C ATOM 109 OE1 GLN A 8 8.057 3.860 1.222 1.00 33.43 O ATOM 110 NE2 GLN A 8 8.483 2.081 -0.091 1.00 74.54 N ATOM 0 H GLN A 8 7.547 6.520 -2.126 1.00 75.23 H new ATOM 0 HA GLN A 8 9.201 6.311 0.084 1.00 42.44 H new ATOM 0 HB2 GLN A 8 9.476 4.908 -2.594 1.00 73.35 H new ATOM 0 HB3 GLN A 8 10.179 4.380 -1.079 1.00 73.35 H new ATOM 0 HG2 GLN A 8 7.227 4.903 -1.043 1.00 53.11 H new ATOM 0 HG3 GLN A 8 7.749 3.523 -1.988 1.00 53.11 H new ATOM 0 HE21 GLN A 8 8.581 1.728 -1.043 1.00 74.54 H new ATOM 0 HE22 GLN A 8 8.609 1.451 0.702 1.00 74.54 H new ATOM 119 N ILE A 9 10.827 7.275 -2.626 1.00 71.52 N ATOM 120 CA ILE A 9 12.027 7.950 -3.090 1.00 12.55 C ATOM 121 C ILE A 9 12.307 9.156 -2.190 1.00 43.01 C ATOM 122 O ILE A 9 13.409 9.297 -1.661 1.00 15.23 O ATOM 123 CB ILE A 9 11.903 8.305 -4.573 1.00 2.23 C ATOM 124 CG1 ILE A 9 11.778 7.044 -5.430 1.00 33.25 C ATOM 125 CG2 ILE A 9 13.066 9.191 -5.023 1.00 65.04 C ATOM 126 CD1 ILE A 9 11.130 7.360 -6.779 1.00 33.20 C ATOM 0 H ILE A 9 10.190 6.981 -3.366 1.00 71.52 H new ATOM 0 HA ILE A 9 12.890 7.288 -3.016 1.00 12.55 H new ATOM 0 HB ILE A 9 10.987 8.880 -4.712 1.00 2.23 H new ATOM 0 HG12 ILE A 9 12.765 6.609 -5.589 1.00 33.25 H new ATOM 0 HG13 ILE A 9 11.183 6.299 -4.902 1.00 33.25 H new ATOM 0 HG21 ILE A 9 12.954 9.429 -6.081 1.00 65.04 H new ATOM 0 HG22 ILE A 9 13.067 10.113 -4.442 1.00 65.04 H new ATOM 0 HG23 ILE A 9 14.007 8.663 -4.868 1.00 65.04 H new ATOM 0 HD11 ILE A 9 11.053 6.446 -7.369 1.00 33.20 H new ATOM 0 HD12 ILE A 9 10.134 7.772 -6.617 1.00 33.20 H new ATOM 0 HD13 ILE A 9 11.741 8.087 -7.315 1.00 33.20 H new ATOM 138 N ALA A 10 11.292 9.995 -2.045 1.00 72.41 N ATOM 139 CA ALA A 10 11.415 11.184 -1.219 1.00 23.41 C ATOM 140 C ALA A 10 12.188 10.836 0.055 1.00 13.02 C ATOM 141 O ALA A 10 13.067 11.586 0.476 1.00 1.03 O ATOM 142 CB ALA A 10 10.024 11.746 -0.922 1.00 74.20 C ATOM 0 H ALA A 10 10.380 9.875 -2.486 1.00 72.41 H new ATOM 0 HA ALA A 10 11.974 11.959 -1.743 1.00 23.41 H new ATOM 0 HB1 ALA A 10 10.117 12.638 -0.302 1.00 74.20 H new ATOM 0 HB2 ALA A 10 9.528 12.004 -1.858 1.00 74.20 H new ATOM 0 HB3 ALA A 10 9.434 10.997 -0.394 1.00 74.20 H new ATOM 148 N GLU A 11 11.831 9.699 0.633 1.00 23.54 N ATOM 149 CA GLU A 11 12.480 9.242 1.851 1.00 41.41 C ATOM 150 C GLU A 11 13.956 8.939 1.585 1.00 51.45 C ATOM 151 O GLU A 11 14.828 9.374 2.335 1.00 32.15 O ATOM 152 CB GLU A 11 11.765 8.019 2.428 1.00 12.43 C ATOM 153 CG GLU A 11 10.310 8.346 2.770 1.00 13.05 C ATOM 154 CD GLU A 11 10.215 9.635 3.589 1.00 1.21 C ATOM 155 OE1 GLU A 11 9.596 10.611 3.139 1.00 20.05 O ATOM 156 OE2 GLU A 11 10.813 9.600 4.732 1.00 54.51 O ATOM 0 H GLU A 11 11.101 9.080 0.281 1.00 23.54 H new ATOM 0 HA GLU A 11 12.421 10.040 2.592 1.00 41.41 H new ATOM 0 HB2 GLU A 11 11.798 7.201 1.709 1.00 12.43 H new ATOM 0 HB3 GLU A 11 12.285 7.678 3.323 1.00 12.43 H new ATOM 0 HG2 GLU A 11 9.732 8.451 1.852 1.00 13.05 H new ATOM 0 HG3 GLU A 11 9.870 7.521 3.331 1.00 13.05 H new ATOM 164 N PHE A 12 14.190 8.196 0.513 1.00 4.11 N ATOM 165 CA PHE A 12 15.546 7.830 0.138 1.00 33.13 C ATOM 166 C PHE A 12 16.441 9.067 0.041 1.00 72.12 C ATOM 167 O PHE A 12 17.583 9.048 0.497 1.00 41.52 O ATOM 168 CB PHE A 12 15.465 7.164 -1.237 1.00 31.34 C ATOM 169 CG PHE A 12 14.597 5.904 -1.268 1.00 12.13 C ATOM 170 CD1 PHE A 12 14.233 5.300 -0.105 1.00 25.22 C ATOM 171 CD2 PHE A 12 14.189 5.389 -2.458 1.00 75.13 C ATOM 172 CE1 PHE A 12 13.428 4.131 -0.134 1.00 33.24 C ATOM 173 CE2 PHE A 12 13.383 4.220 -2.487 1.00 72.01 C ATOM 174 CZ PHE A 12 13.019 3.616 -1.324 1.00 64.43 C ATOM 0 H PHE A 12 13.464 7.838 -0.108 1.00 4.11 H new ATOM 0 HA PHE A 12 15.973 7.164 0.888 1.00 33.13 H new ATOM 0 HB2 PHE A 12 15.070 7.883 -1.955 1.00 31.34 H new ATOM 0 HB3 PHE A 12 16.472 6.907 -1.565 1.00 31.34 H new ATOM 0 HD1 PHE A 12 14.556 5.710 0.841 1.00 25.22 H new ATOM 0 HD2 PHE A 12 14.478 5.869 -3.381 1.00 75.13 H new ATOM 0 HE1 PHE A 12 13.140 3.651 0.790 1.00 33.24 H new ATOM 0 HE2 PHE A 12 13.059 3.811 -3.432 1.00 72.01 H new ATOM 0 HZ PHE A 12 12.405 2.728 -1.346 1.00 64.43 H new ATOM 184 N LYS A 13 15.888 10.112 -0.557 1.00 1.33 N ATOM 185 CA LYS A 13 16.622 11.356 -0.720 1.00 22.40 C ATOM 186 C LYS A 13 17.171 11.801 0.637 1.00 33.11 C ATOM 187 O LYS A 13 18.177 12.506 0.703 1.00 34.31 O ATOM 188 CB LYS A 13 15.748 12.408 -1.405 1.00 61.13 C ATOM 189 CG LYS A 13 15.923 12.361 -2.925 1.00 5.34 C ATOM 190 CD LYS A 13 14.904 11.417 -3.565 1.00 64.14 C ATOM 191 CE LYS A 13 13.601 12.152 -3.885 1.00 21.21 C ATOM 192 NZ LYS A 13 13.665 12.758 -5.234 1.00 20.42 N ATOM 0 H LYS A 13 14.941 10.123 -0.935 1.00 1.33 H new ATOM 0 HA LYS A 13 17.479 11.209 -1.378 1.00 22.40 H new ATOM 0 HB2 LYS A 13 14.702 12.239 -1.150 1.00 61.13 H new ATOM 0 HB3 LYS A 13 16.009 13.400 -1.036 1.00 61.13 H new ATOM 0 HG2 LYS A 13 15.807 13.362 -3.339 1.00 5.34 H new ATOM 0 HG3 LYS A 13 16.933 12.031 -3.168 1.00 5.34 H new ATOM 0 HD2 LYS A 13 15.320 10.992 -4.479 1.00 64.14 H new ATOM 0 HD3 LYS A 13 14.700 10.585 -2.891 1.00 64.14 H new ATOM 0 HE2 LYS A 13 12.762 11.458 -3.831 1.00 21.21 H new ATOM 0 HE3 LYS A 13 13.421 12.927 -3.140 1.00 21.21 H new ATOM 0 HZ1 LYS A 13 12.773 13.253 -5.435 1.00 20.42 H new ATOM 0 HZ2 LYS A 13 14.453 13.436 -5.273 1.00 20.42 H new ATOM 0 HZ3 LYS A 13 13.814 12.012 -5.943 1.00 20.42 H new ATOM 205 N GLU A 14 16.485 11.371 1.686 1.00 3.24 N ATOM 206 CA GLU A 14 16.891 11.717 3.038 1.00 22.21 C ATOM 207 C GLU A 14 17.803 10.631 3.612 1.00 5.04 C ATOM 208 O GLU A 14 18.972 10.885 3.901 1.00 51.53 O ATOM 209 CB GLU A 14 15.673 11.941 3.936 1.00 30.21 C ATOM 210 CG GLU A 14 14.520 12.568 3.150 1.00 41.12 C ATOM 211 CD GLU A 14 13.598 13.367 4.073 1.00 52.22 C ATOM 212 OE1 GLU A 14 13.007 12.798 5.003 1.00 53.15 O ATOM 213 OE2 GLU A 14 13.507 14.624 3.797 1.00 12.14 O ATOM 0 H GLU A 14 15.651 10.786 1.627 1.00 3.24 H new ATOM 0 HA GLU A 14 17.450 12.652 3.001 1.00 22.21 H new ATOM 0 HB2 GLU A 14 15.352 10.991 4.363 1.00 30.21 H new ATOM 0 HB3 GLU A 14 15.945 12.589 4.769 1.00 30.21 H new ATOM 0 HG2 GLU A 14 14.918 13.221 2.373 1.00 41.12 H new ATOM 0 HG3 GLU A 14 13.950 11.786 2.648 1.00 41.12 H new ATOM 221 N ALA A 15 17.235 9.443 3.761 1.00 3.44 N ATOM 222 CA ALA A 15 17.983 8.318 4.296 1.00 32.10 C ATOM 223 C ALA A 15 19.388 8.310 3.690 1.00 54.03 C ATOM 224 O ALA A 15 20.381 8.299 4.415 1.00 13.24 O ATOM 225 CB ALA A 15 17.221 7.021 4.019 1.00 73.45 C ATOM 0 H ALA A 15 16.266 9.235 3.521 1.00 3.44 H new ATOM 0 HA ALA A 15 18.091 8.408 5.377 1.00 32.10 H new ATOM 0 HB1 ALA A 15 17.782 6.177 4.420 1.00 73.45 H new ATOM 0 HB2 ALA A 15 16.242 7.065 4.496 1.00 73.45 H new ATOM 0 HB3 ALA A 15 17.096 6.895 2.944 1.00 73.45 H new ATOM 231 N PHE A 16 19.426 8.316 2.365 1.00 32.24 N ATOM 232 CA PHE A 16 20.692 8.309 1.653 1.00 4.42 C ATOM 233 C PHE A 16 21.591 9.456 2.122 1.00 31.42 C ATOM 234 O PHE A 16 22.804 9.289 2.241 1.00 12.42 O ATOM 235 CB PHE A 16 20.372 8.502 0.170 1.00 42.43 C ATOM 236 CG PHE A 16 21.458 7.981 -0.774 1.00 51.11 C ATOM 237 CD1 PHE A 16 22.669 8.598 -0.824 1.00 70.01 C ATOM 238 CD2 PHE A 16 21.212 6.901 -1.563 1.00 52.10 C ATOM 239 CE1 PHE A 16 23.676 8.114 -1.700 1.00 5.20 C ATOM 240 CE2 PHE A 16 22.219 6.417 -2.439 1.00 43.30 C ATOM 241 CZ PHE A 16 23.430 7.034 -2.489 1.00 4.20 C ATOM 0 H PHE A 16 18.600 8.326 1.767 1.00 32.24 H new ATOM 0 HA PHE A 16 21.217 7.372 1.837 1.00 4.42 H new ATOM 0 HB2 PHE A 16 19.434 7.996 -0.058 1.00 42.43 H new ATOM 0 HB3 PHE A 16 20.216 9.564 -0.022 1.00 42.43 H new ATOM 0 HD1 PHE A 16 22.865 9.456 -0.198 1.00 70.01 H new ATOM 0 HD2 PHE A 16 20.250 6.411 -1.523 1.00 52.10 H new ATOM 0 HE1 PHE A 16 24.638 8.604 -1.740 1.00 5.20 H new ATOM 0 HE2 PHE A 16 22.023 5.559 -3.065 1.00 43.30 H new ATOM 0 HZ PHE A 16 24.196 6.666 -3.155 1.00 4.20 H new ATOM 251 N ALA A 17 20.961 10.593 2.376 1.00 51.21 N ATOM 252 CA ALA A 17 21.688 11.767 2.829 1.00 22.42 C ATOM 253 C ALA A 17 22.164 11.543 4.266 1.00 63.41 C ATOM 254 O ALA A 17 23.215 12.045 4.661 1.00 64.03 O ATOM 255 CB ALA A 17 20.797 13.003 2.696 1.00 34.25 C ATOM 0 H ALA A 17 19.955 10.727 2.277 1.00 51.21 H new ATOM 0 HA ALA A 17 22.570 11.934 2.211 1.00 22.42 H new ATOM 0 HB1 ALA A 17 21.343 13.883 3.036 1.00 34.25 H new ATOM 0 HB2 ALA A 17 20.510 13.134 1.653 1.00 34.25 H new ATOM 0 HB3 ALA A 17 19.902 12.874 3.305 1.00 34.25 H new ATOM 261 N LEU A 18 21.368 10.788 5.008 1.00 31.14 N ATOM 262 CA LEU A 18 21.695 10.491 6.393 1.00 53.22 C ATOM 263 C LEU A 18 22.967 9.642 6.441 1.00 12.53 C ATOM 264 O LEU A 18 23.740 9.730 7.394 1.00 33.22 O ATOM 265 CB LEU A 18 20.500 9.849 7.100 1.00 75.12 C ATOM 266 CG LEU A 18 19.454 10.815 7.661 1.00 72.31 C ATOM 267 CD1 LEU A 18 18.880 11.704 6.556 1.00 31.20 C ATOM 268 CD2 LEU A 18 18.358 10.059 8.415 1.00 22.23 C ATOM 0 H LEU A 18 20.497 10.373 4.677 1.00 31.14 H new ATOM 0 HA LEU A 18 21.904 11.410 6.941 1.00 53.22 H new ATOM 0 HB2 LEU A 18 20.006 9.177 6.398 1.00 75.12 H new ATOM 0 HB3 LEU A 18 20.875 9.235 7.919 1.00 75.12 H new ATOM 0 HG LEU A 18 19.946 11.471 8.379 1.00 72.31 H new ATOM 0 HD11 LEU A 18 18.139 12.381 6.982 1.00 31.20 H new ATOM 0 HD12 LEU A 18 19.683 12.284 6.102 1.00 31.20 H new ATOM 0 HD13 LEU A 18 18.408 11.081 5.796 1.00 31.20 H new ATOM 0 HD21 LEU A 18 17.628 10.769 8.803 1.00 22.23 H new ATOM 0 HD22 LEU A 18 17.863 9.364 7.737 1.00 22.23 H new ATOM 0 HD23 LEU A 18 18.801 9.505 9.243 1.00 22.23 H new ATOM 280 N PHE A 19 23.145 8.840 5.402 1.00 53.41 N ATOM 281 CA PHE A 19 24.310 7.977 5.314 1.00 72.41 C ATOM 282 C PHE A 19 25.448 8.666 4.558 1.00 74.20 C ATOM 283 O PHE A 19 26.616 8.328 4.745 1.00 54.24 O ATOM 284 CB PHE A 19 23.883 6.727 4.541 1.00 51.33 C ATOM 285 CG PHE A 19 23.188 5.670 5.401 1.00 14.32 C ATOM 286 CD1 PHE A 19 21.949 5.913 5.908 1.00 2.20 C ATOM 287 CD2 PHE A 19 23.808 4.488 5.659 1.00 20.21 C ATOM 288 CE1 PHE A 19 21.304 4.932 6.707 1.00 52.25 C ATOM 289 CE2 PHE A 19 23.163 3.507 6.458 1.00 73.14 C ATOM 290 CZ PHE A 19 21.924 3.750 6.964 1.00 23.34 C ATOM 0 H PHE A 19 22.502 8.770 4.614 1.00 53.41 H new ATOM 0 HA PHE A 19 24.669 7.734 6.314 1.00 72.41 H new ATOM 0 HB2 PHE A 19 23.212 7.023 3.735 1.00 51.33 H new ATOM 0 HB3 PHE A 19 24.763 6.282 4.077 1.00 51.33 H new ATOM 0 HD1 PHE A 19 21.456 6.852 5.703 1.00 2.20 H new ATOM 0 HD2 PHE A 19 24.791 4.295 5.256 1.00 20.21 H new ATOM 0 HE1 PHE A 19 20.321 5.125 7.110 1.00 52.25 H new ATOM 0 HE2 PHE A 19 23.656 2.568 6.664 1.00 73.14 H new ATOM 0 HZ PHE A 19 21.433 3.003 7.570 1.00 23.34 H new ATOM 300 N ASP A 20 25.067 9.619 3.720 1.00 13.04 N ATOM 301 CA ASP A 20 26.040 10.359 2.935 1.00 24.34 C ATOM 302 C ASP A 20 26.698 11.422 3.817 1.00 24.34 C ATOM 303 O ASP A 20 26.020 12.103 4.585 1.00 45.22 O ATOM 304 CB ASP A 20 25.372 11.070 1.757 1.00 63.51 C ATOM 305 CG ASP A 20 26.238 11.195 0.502 1.00 64.41 C ATOM 306 OD1 ASP A 20 27.266 11.889 0.502 1.00 71.24 O ATOM 307 OD2 ASP A 20 25.814 10.533 -0.521 1.00 45.12 O ATOM 0 H ASP A 20 24.097 9.896 3.568 1.00 13.04 H new ATOM 0 HA ASP A 20 26.777 9.650 2.557 1.00 24.34 H new ATOM 0 HB2 ASP A 20 24.459 10.533 1.498 1.00 63.51 H new ATOM 0 HB3 ASP A 20 25.075 12.069 2.076 1.00 63.51 H new ATOM 313 N LYS A 21 28.012 11.530 3.678 1.00 15.13 N ATOM 314 CA LYS A 21 28.769 12.499 4.453 1.00 73.32 C ATOM 315 C LYS A 21 28.694 13.864 3.767 1.00 41.32 C ATOM 316 O LYS A 21 28.153 14.835 4.258 1.00 52.34 O ATOM 317 CB LYS A 21 30.198 12.003 4.681 1.00 31.53 C ATOM 318 CG LYS A 21 30.201 10.581 5.247 1.00 32.11 C ATOM 319 CD LYS A 21 30.440 10.593 6.758 1.00 21.23 C ATOM 320 CE LYS A 21 31.126 9.304 7.215 1.00 64.22 C ATOM 321 NZ LYS A 21 32.595 9.483 7.248 1.00 22.44 N ATOM 0 H LYS A 21 28.571 10.963 3.041 1.00 15.13 H new ATOM 0 HA LYS A 21 28.335 12.616 5.446 1.00 73.32 H new ATOM 0 HB2 LYS A 21 30.749 12.025 3.741 1.00 31.53 H new ATOM 0 HB3 LYS A 21 30.714 12.673 5.369 1.00 31.53 H new ATOM 0 HG2 LYS A 21 29.249 10.097 5.030 1.00 32.11 H new ATOM 0 HG3 LYS A 21 30.977 9.992 4.757 1.00 32.11 H new ATOM 0 HD2 LYS A 21 31.056 11.452 7.025 1.00 21.23 H new ATOM 0 HD3 LYS A 21 29.490 10.708 7.279 1.00 21.23 H new ATOM 0 HE2 LYS A 21 30.765 9.024 8.205 1.00 64.22 H new ATOM 0 HE3 LYS A 21 30.868 8.488 6.539 1.00 64.22 H new ATOM 0 HZ1 LYS A 21 33.056 8.554 7.326 1.00 22.44 H new ATOM 0 HZ2 LYS A 21 32.907 9.953 6.374 1.00 22.44 H new ATOM 0 HZ3 LYS A 21 32.855 10.068 8.067 1.00 22.44 H new ATOM 334 N ASP A 22 29.261 13.923 2.594 1.00 43.53 N ATOM 335 CA ASP A 22 29.251 15.197 1.821 1.00 41.34 C ATOM 336 C ASP A 22 27.919 15.349 1.080 1.00 54.44 C ATOM 337 O ASP A 22 27.696 16.416 0.509 1.00 72.12 O ATOM 338 CB ASP A 22 30.406 15.067 0.827 1.00 21.42 C ATOM 339 CG ASP A 22 30.200 13.821 -0.036 1.00 40.01 C ATOM 340 OD1 ASP A 22 29.132 13.692 -0.612 1.00 60.10 O ATOM 341 OD2 ASP A 22 31.115 13.016 -0.109 1.00 15.10 O ATOM 0 H ASP A 22 29.732 13.142 2.136 1.00 43.53 H new ATOM 0 HA ASP A 22 29.363 16.072 2.461 1.00 41.34 H new ATOM 0 HB2 ASP A 22 30.458 15.954 0.196 1.00 21.42 H new ATOM 0 HB3 ASP A 22 31.354 14.999 1.361 1.00 21.42 H new ATOM 346 N ASN A 23 27.087 14.318 1.095 1.00 53.32 N ATOM 347 CA ASN A 23 25.806 14.380 0.412 1.00 53.01 C ATOM 348 C ASN A 23 26.039 14.624 -1.080 1.00 64.55 C ATOM 349 O ASN A 23 25.495 15.567 -1.652 1.00 35.30 O ATOM 350 CB ASN A 23 24.950 15.528 0.950 1.00 54.22 C ATOM 351 CG ASN A 23 24.988 15.571 2.479 1.00 73.13 C ATOM 352 OD1 ASN A 23 25.717 16.337 3.086 1.00 4.12 O ATOM 353 ND2 ASN A 23 24.163 14.708 3.065 1.00 61.53 N ATOM 0 H ASN A 23 27.275 13.435 1.569 1.00 53.32 H new ATOM 0 HA ASN A 23 25.289 13.435 0.579 1.00 53.01 H new ATOM 0 HB2 ASN A 23 25.310 16.475 0.547 1.00 54.22 H new ATOM 0 HB3 ASN A 23 23.921 15.408 0.612 1.00 54.22 H new ATOM 0 HD21 ASN A 23 24.114 14.660 4.083 1.00 61.53 H new ATOM 0 HD22 ASN A 23 23.579 14.094 2.497 1.00 61.53 H new ATOM 360 N ASN A 24 26.850 13.757 -1.669 1.00 22.40 N ATOM 361 CA ASN A 24 27.163 13.866 -3.084 1.00 33.42 C ATOM 362 C ASN A 24 26.217 12.965 -3.881 1.00 65.13 C ATOM 363 O ASN A 24 25.967 13.211 -5.060 1.00 51.11 O ATOM 364 CB ASN A 24 28.597 13.415 -3.367 1.00 71.44 C ATOM 365 CG ASN A 24 28.850 12.012 -2.812 1.00 64.43 C ATOM 366 OD1 ASN A 24 28.219 11.566 -1.868 1.00 60.13 O ATOM 367 ND2 ASN A 24 29.807 11.343 -3.449 1.00 63.42 N ATOM 0 H ASN A 24 27.300 12.976 -1.192 1.00 22.40 H new ATOM 0 HA ASN A 24 27.050 14.910 -3.376 1.00 33.42 H new ATOM 0 HB2 ASN A 24 28.779 13.423 -4.442 1.00 71.44 H new ATOM 0 HB3 ASN A 24 29.298 14.119 -2.919 1.00 71.44 H new ATOM 0 HD21 ASN A 24 30.051 10.398 -3.154 1.00 63.42 H new ATOM 0 HD22 ASN A 24 30.297 11.775 -4.232 1.00 63.42 H new ATOM 374 N GLY A 25 25.718 11.940 -3.206 1.00 65.23 N ATOM 375 CA GLY A 25 24.806 11.001 -3.837 1.00 43.12 C ATOM 376 C GLY A 25 25.435 9.610 -3.940 1.00 2.13 C ATOM 377 O GLY A 25 24.726 8.611 -4.046 1.00 22.42 O ATOM 0 H GLY A 25 25.928 11.739 -2.228 1.00 65.23 H new ATOM 0 HA2 GLY A 25 23.882 10.944 -3.262 1.00 43.12 H new ATOM 0 HA3 GLY A 25 24.541 11.359 -4.832 1.00 43.12 H new ATOM 381 N SER A 26 26.760 9.590 -3.904 1.00 55.44 N ATOM 382 CA SER A 26 27.492 8.338 -3.992 1.00 10.50 C ATOM 383 C SER A 26 28.157 8.027 -2.650 1.00 23.50 C ATOM 384 O SER A 26 28.929 8.833 -2.133 1.00 14.30 O ATOM 385 CB SER A 26 28.541 8.391 -5.105 1.00 35.41 C ATOM 386 OG SER A 26 29.056 9.706 -5.291 1.00 63.12 O ATOM 0 H SER A 26 27.345 10.421 -3.815 1.00 55.44 H new ATOM 0 HA SER A 26 26.786 7.544 -4.233 1.00 10.50 H new ATOM 0 HB2 SER A 26 29.359 7.712 -4.865 1.00 35.41 H new ATOM 0 HB3 SER A 26 28.099 8.040 -6.037 1.00 35.41 H new ATOM 0 HG SER A 26 29.724 9.697 -6.008 1.00 63.12 H new ATOM 392 N ILE A 27 27.835 6.854 -2.124 1.00 54.02 N ATOM 393 CA ILE A 27 28.391 6.425 -0.852 1.00 43.43 C ATOM 394 C ILE A 27 29.606 5.531 -1.108 1.00 32.32 C ATOM 395 O ILE A 27 29.653 4.812 -2.105 1.00 21.11 O ATOM 396 CB ILE A 27 27.313 5.767 0.010 1.00 73.20 C ATOM 397 CG1 ILE A 27 26.010 6.568 -0.034 1.00 42.50 C ATOM 398 CG2 ILE A 27 27.808 5.557 1.442 1.00 23.42 C ATOM 399 CD1 ILE A 27 24.847 5.756 0.537 1.00 75.41 C ATOM 0 H ILE A 27 27.196 6.187 -2.556 1.00 54.02 H new ATOM 0 HA ILE A 27 28.742 7.284 -0.280 1.00 43.43 H new ATOM 0 HB ILE A 27 27.099 4.782 -0.405 1.00 73.20 H new ATOM 0 HG12 ILE A 27 26.127 7.491 0.534 1.00 42.50 H new ATOM 0 HG13 ILE A 27 25.789 6.853 -1.063 1.00 42.50 H new ATOM 0 HG21 ILE A 27 27.022 5.088 2.034 1.00 23.42 H new ATOM 0 HG22 ILE A 27 28.688 4.914 1.432 1.00 23.42 H new ATOM 0 HG23 ILE A 27 28.067 6.520 1.882 1.00 23.42 H new ATOM 0 HD11 ILE A 27 23.933 6.349 0.494 1.00 75.41 H new ATOM 0 HD12 ILE A 27 24.717 4.846 -0.048 1.00 75.41 H new ATOM 0 HD13 ILE A 27 25.060 5.494 1.573 1.00 75.41 H new ATOM 411 N SER A 28 30.558 5.604 -0.190 1.00 22.23 N ATOM 412 CA SER A 28 31.770 4.809 -0.303 1.00 14.41 C ATOM 413 C SER A 28 31.833 3.786 0.833 1.00 55.30 C ATOM 414 O SER A 28 31.355 4.048 1.936 1.00 71.21 O ATOM 415 CB SER A 28 33.015 5.698 -0.286 1.00 53.33 C ATOM 416 OG SER A 28 33.174 6.370 0.960 1.00 2.32 O ATOM 0 H SER A 28 30.515 6.201 0.636 1.00 22.23 H new ATOM 0 HA SER A 28 31.746 4.282 -1.257 1.00 14.41 H new ATOM 0 HB2 SER A 28 33.897 5.090 -0.485 1.00 53.33 H new ATOM 0 HB3 SER A 28 32.947 6.433 -1.088 1.00 53.33 H new ATOM 0 HG SER A 28 34.015 6.089 1.378 1.00 2.32 H new ATOM 422 N SER A 29 32.426 2.643 0.524 1.00 31.32 N ATOM 423 CA SER A 29 32.558 1.579 1.505 1.00 14.03 C ATOM 424 C SER A 29 33.072 2.149 2.829 1.00 65.33 C ATOM 425 O SER A 29 32.655 1.713 3.901 1.00 53.25 O ATOM 426 CB SER A 29 33.493 0.478 1.002 1.00 72.13 C ATOM 427 OG SER A 29 34.788 0.567 1.590 1.00 52.11 O ATOM 0 H SER A 29 32.821 2.430 -0.392 1.00 31.32 H new ATOM 0 HA SER A 29 31.574 1.137 1.664 1.00 14.03 H new ATOM 0 HB2 SER A 29 33.059 -0.496 1.226 1.00 72.13 H new ATOM 0 HB3 SER A 29 33.582 0.545 -0.082 1.00 72.13 H new ATOM 0 HG SER A 29 35.354 -0.154 1.244 1.00 52.11 H new ATOM 433 N SER A 30 33.972 3.114 2.710 1.00 23.14 N ATOM 434 CA SER A 30 34.549 3.748 3.884 1.00 33.30 C ATOM 435 C SER A 30 33.471 4.528 4.640 1.00 60.41 C ATOM 436 O SER A 30 33.186 4.234 5.800 1.00 75.13 O ATOM 437 CB SER A 30 35.703 4.675 3.498 1.00 32.03 C ATOM 438 OG SER A 30 35.281 5.716 2.622 1.00 52.51 O ATOM 0 H SER A 30 34.316 3.472 1.819 1.00 23.14 H new ATOM 0 HA SER A 30 34.947 2.968 4.533 1.00 33.30 H new ATOM 0 HB2 SER A 30 36.134 5.112 4.399 1.00 32.03 H new ATOM 0 HB3 SER A 30 36.490 4.094 3.018 1.00 32.03 H new ATOM 0 HG SER A 30 36.046 6.287 2.400 1.00 52.51 H new ATOM 444 N GLU A 31 32.902 5.506 3.952 1.00 50.42 N ATOM 445 CA GLU A 31 31.862 6.331 4.544 1.00 60.14 C ATOM 446 C GLU A 31 30.755 5.451 5.127 1.00 33.10 C ATOM 447 O GLU A 31 30.103 5.830 6.099 1.00 53.13 O ATOM 448 CB GLU A 31 31.296 7.318 3.521 1.00 62.23 C ATOM 449 CG GLU A 31 32.380 8.279 3.028 1.00 22.13 C ATOM 450 CD GLU A 31 31.948 8.978 1.738 1.00 40.12 C ATOM 451 OE1 GLU A 31 31.602 8.306 0.755 1.00 51.23 O ATOM 452 OE2 GLU A 31 31.979 10.267 1.779 1.00 1.03 O ATOM 0 H GLU A 31 33.141 5.746 2.990 1.00 50.42 H new ATOM 0 HA GLU A 31 32.303 6.912 5.354 1.00 60.14 H new ATOM 0 HB2 GLU A 31 30.878 6.771 2.676 1.00 62.23 H new ATOM 0 HB3 GLU A 31 30.480 7.884 3.970 1.00 62.23 H new ATOM 0 HG2 GLU A 31 32.588 9.023 3.797 1.00 22.13 H new ATOM 0 HG3 GLU A 31 33.306 7.731 2.856 1.00 22.13 H new ATOM 460 N LEU A 32 30.576 4.292 4.509 1.00 2.44 N ATOM 461 CA LEU A 32 29.559 3.355 4.955 1.00 0.43 C ATOM 462 C LEU A 32 30.036 2.661 6.232 1.00 1.25 C ATOM 463 O LEU A 32 29.281 2.537 7.195 1.00 15.11 O ATOM 464 CB LEU A 32 29.192 2.387 3.829 1.00 22.11 C ATOM 465 CG LEU A 32 27.899 1.593 4.022 1.00 34.22 C ATOM 466 CD1 LEU A 32 26.677 2.512 3.966 1.00 42.32 C ATOM 467 CD2 LEU A 32 27.802 0.448 3.011 1.00 12.44 C ATOM 0 H LEU A 32 31.118 3.981 3.703 1.00 2.44 H new ATOM 0 HA LEU A 32 28.638 3.882 5.204 1.00 0.43 H new ATOM 0 HB2 LEU A 32 29.112 2.954 2.901 1.00 22.11 H new ATOM 0 HB3 LEU A 32 30.013 1.681 3.702 1.00 22.11 H new ATOM 0 HG LEU A 32 27.919 1.145 5.015 1.00 34.22 H new ATOM 0 HD11 LEU A 32 25.771 1.922 4.106 1.00 42.32 H new ATOM 0 HD12 LEU A 32 26.748 3.260 4.755 1.00 42.32 H new ATOM 0 HD13 LEU A 32 26.640 3.009 2.997 1.00 42.32 H new ATOM 0 HD21 LEU A 32 26.874 -0.100 3.170 1.00 12.44 H new ATOM 0 HD22 LEU A 32 27.815 0.854 1.999 1.00 12.44 H new ATOM 0 HD23 LEU A 32 28.648 -0.226 3.142 1.00 12.44 H new ATOM 479 N ALA A 33 31.287 2.227 6.200 1.00 63.43 N ATOM 480 CA ALA A 33 31.874 1.548 7.343 1.00 41.02 C ATOM 481 C ALA A 33 31.819 2.471 8.562 1.00 44.23 C ATOM 482 O ALA A 33 31.509 2.029 9.667 1.00 72.35 O ATOM 483 CB ALA A 33 33.302 1.116 7.002 1.00 33.33 C ATOM 0 H ALA A 33 31.911 2.332 5.400 1.00 63.43 H new ATOM 0 HA ALA A 33 31.310 0.647 7.586 1.00 41.02 H new ATOM 0 HB1 ALA A 33 33.743 0.607 7.859 1.00 33.33 H new ATOM 0 HB2 ALA A 33 33.283 0.439 6.148 1.00 33.33 H new ATOM 0 HB3 ALA A 33 33.899 1.994 6.756 1.00 33.33 H new ATOM 489 N THR A 34 32.126 3.737 8.319 1.00 1.14 N ATOM 490 CA THR A 34 32.116 4.726 9.384 1.00 52.54 C ATOM 491 C THR A 34 30.786 4.683 10.139 1.00 1.21 C ATOM 492 O THR A 34 30.733 4.994 11.328 1.00 2.00 O ATOM 493 CB THR A 34 32.418 6.092 8.763 1.00 73.23 C ATOM 494 OG1 THR A 34 33.838 6.190 8.814 1.00 64.11 O ATOM 495 CG2 THR A 34 31.932 7.252 9.635 1.00 65.25 C ATOM 0 H THR A 34 32.383 4.100 7.401 1.00 1.14 H new ATOM 0 HA THR A 34 32.884 4.514 10.128 1.00 52.54 H new ATOM 0 HB THR A 34 31.950 6.156 7.781 1.00 73.23 H new ATOM 0 HG1 THR A 34 34.121 7.046 8.429 1.00 64.11 H new ATOM 0 HG21 THR A 34 32.171 8.198 9.149 1.00 65.25 H new ATOM 0 HG22 THR A 34 30.853 7.177 9.772 1.00 65.25 H new ATOM 0 HG23 THR A 34 32.425 7.209 10.606 1.00 65.25 H new ATOM 503 N VAL A 35 29.745 4.295 9.418 1.00 52.12 N ATOM 504 CA VAL A 35 28.419 4.207 10.005 1.00 14.11 C ATOM 505 C VAL A 35 28.265 2.856 10.707 1.00 40.30 C ATOM 506 O VAL A 35 27.581 2.756 11.724 1.00 23.45 O ATOM 507 CB VAL A 35 27.354 4.448 8.933 1.00 43.03 C ATOM 508 CG1 VAL A 35 25.947 4.310 9.516 1.00 32.42 C ATOM 509 CG2 VAL A 35 27.542 5.815 8.271 1.00 31.05 C ATOM 0 H VAL A 35 29.793 4.038 8.432 1.00 52.12 H new ATOM 0 HA VAL A 35 28.284 4.983 10.759 1.00 14.11 H new ATOM 0 HB VAL A 35 27.474 3.684 8.165 1.00 43.03 H new ATOM 0 HG11 VAL A 35 25.210 4.486 8.733 1.00 32.42 H new ATOM 0 HG12 VAL A 35 25.817 3.305 9.918 1.00 32.42 H new ATOM 0 HG13 VAL A 35 25.810 5.040 10.314 1.00 32.42 H new ATOM 0 HG21 VAL A 35 26.772 5.961 7.513 1.00 31.05 H new ATOM 0 HG22 VAL A 35 27.462 6.598 9.025 1.00 31.05 H new ATOM 0 HG23 VAL A 35 28.525 5.860 7.803 1.00 31.05 H new ATOM 519 N MET A 36 28.913 1.852 10.135 1.00 35.45 N ATOM 520 CA MET A 36 28.856 0.511 10.694 1.00 45.14 C ATOM 521 C MET A 36 29.441 0.481 12.107 1.00 23.21 C ATOM 522 O MET A 36 28.815 -0.036 13.031 1.00 71.11 O ATOM 523 CB MET A 36 29.640 -0.449 9.796 1.00 0.21 C ATOM 524 CG MET A 36 28.898 -0.700 8.482 1.00 52.31 C ATOM 525 SD MET A 36 27.812 -2.106 8.653 1.00 15.30 S ATOM 526 CE MET A 36 26.457 -1.346 9.534 1.00 45.04 C ATOM 0 H MET A 36 29.480 1.939 9.291 1.00 35.45 H new ATOM 0 HA MET A 36 27.812 0.203 10.747 1.00 45.14 H new ATOM 0 HB2 MET A 36 30.626 -0.034 9.587 1.00 0.21 H new ATOM 0 HB3 MET A 36 29.795 -1.394 10.316 1.00 0.21 H new ATOM 0 HG2 MET A 36 28.322 0.183 8.206 1.00 52.31 H new ATOM 0 HG3 MET A 36 29.613 -0.878 7.679 1.00 52.31 H new ATOM 0 HE1 MET A 36 25.522 -1.828 9.249 1.00 45.04 H new ATOM 0 HE2 MET A 36 26.611 -1.460 10.607 1.00 45.04 H new ATOM 0 HE3 MET A 36 26.410 -0.286 9.285 1.00 45.04 H new ATOM 536 N ARG A 37 30.635 1.041 12.231 1.00 3.53 N ATOM 537 CA ARG A 37 31.312 1.085 13.517 1.00 55.24 C ATOM 538 C ARG A 37 30.402 1.715 14.574 1.00 43.24 C ATOM 539 O ARG A 37 30.498 1.387 15.755 1.00 4.43 O ATOM 540 CB ARG A 37 32.611 1.887 13.428 1.00 3.51 C ATOM 541 CG ARG A 37 32.355 3.285 12.861 1.00 42.21 C ATOM 542 CD ARG A 37 33.649 4.101 12.807 1.00 72.50 C ATOM 543 NE ARG A 37 34.783 3.225 12.437 1.00 45.52 N ATOM 544 CZ ARG A 37 35.526 2.532 13.326 1.00 71.12 C ATOM 545 NH1 ARG A 37 35.259 2.606 14.647 1.00 33.11 N ATOM 546 NH2 ARG A 37 36.517 1.780 12.884 1.00 50.42 N ATOM 0 H ARG A 37 31.152 1.468 11.462 1.00 3.53 H new ATOM 0 HA ARG A 37 31.550 0.060 13.802 1.00 55.24 H new ATOM 0 HB2 ARG A 37 33.060 1.969 14.418 1.00 3.51 H new ATOM 0 HB3 ARG A 37 33.326 1.360 12.796 1.00 3.51 H new ATOM 0 HG2 ARG A 37 31.931 3.203 11.860 1.00 42.21 H new ATOM 0 HG3 ARG A 37 31.620 3.802 13.478 1.00 42.21 H new ATOM 0 HD2 ARG A 37 33.550 4.908 12.081 1.00 72.50 H new ATOM 0 HD3 ARG A 37 33.837 4.565 13.775 1.00 72.50 H new ATOM 0 HE ARG A 37 35.018 3.139 11.448 1.00 45.52 H new ATOM 0 HH11 ARG A 37 34.491 3.189 14.980 1.00 33.11 H new ATOM 0 HH12 ARG A 37 35.825 2.079 15.312 1.00 33.11 H new ATOM 0 HH21 ARG A 37 36.712 1.729 11.884 1.00 50.42 H new ATOM 0 HH22 ARG A 37 37.088 1.250 13.542 1.00 50.42 H new ATOM 559 N SER A 38 29.540 2.608 14.110 1.00 4.54 N ATOM 560 CA SER A 38 28.615 3.287 15.001 1.00 12.32 C ATOM 561 C SER A 38 27.406 2.392 15.282 1.00 65.33 C ATOM 562 O SER A 38 26.725 2.561 16.292 1.00 61.32 O ATOM 563 CB SER A 38 28.160 4.623 14.409 1.00 34.40 C ATOM 564 OG SER A 38 28.546 5.727 15.223 1.00 61.13 O ATOM 0 H SER A 38 29.463 2.877 13.129 1.00 4.54 H new ATOM 0 HA SER A 38 29.132 3.493 15.938 1.00 12.32 H new ATOM 0 HB2 SER A 38 28.585 4.741 13.412 1.00 34.40 H new ATOM 0 HB3 SER A 38 27.076 4.618 14.295 1.00 34.40 H new ATOM 0 HG SER A 38 28.239 6.561 14.810 1.00 61.13 H new ATOM 570 N LEU A 39 27.178 1.458 14.370 1.00 53.33 N ATOM 571 CA LEU A 39 26.063 0.536 14.506 1.00 25.32 C ATOM 572 C LEU A 39 26.353 -0.441 15.648 1.00 73.13 C ATOM 573 O LEU A 39 25.661 -0.435 16.665 1.00 70.12 O ATOM 574 CB LEU A 39 25.768 -0.149 13.170 1.00 25.53 C ATOM 575 CG LEU A 39 25.275 0.761 12.044 1.00 12.01 C ATOM 576 CD1 LEU A 39 24.367 -0.004 11.079 1.00 12.20 C ATOM 577 CD2 LEU A 39 24.591 2.008 12.607 1.00 0.45 C ATOM 0 H LEU A 39 27.746 1.320 13.534 1.00 53.33 H new ATOM 0 HA LEU A 39 25.152 1.074 14.769 1.00 25.32 H new ATOM 0 HB2 LEU A 39 26.675 -0.651 12.834 1.00 25.53 H new ATOM 0 HB3 LEU A 39 25.019 -0.923 13.339 1.00 25.53 H new ATOM 0 HG LEU A 39 26.140 1.098 11.473 1.00 12.01 H new ATOM 0 HD11 LEU A 39 24.030 0.666 10.288 1.00 12.20 H new ATOM 0 HD12 LEU A 39 24.920 -0.835 10.640 1.00 12.20 H new ATOM 0 HD13 LEU A 39 23.503 -0.389 11.620 1.00 12.20 H new ATOM 0 HD21 LEU A 39 24.250 2.638 11.786 1.00 0.45 H new ATOM 0 HD22 LEU A 39 23.737 1.711 13.216 1.00 0.45 H new ATOM 0 HD23 LEU A 39 25.298 2.565 13.222 1.00 0.45 H new ATOM 589 N GLY A 40 27.376 -1.257 15.441 1.00 51.12 N ATOM 590 CA GLY A 40 27.765 -2.238 16.440 1.00 41.51 C ATOM 591 C GLY A 40 28.989 -3.032 15.981 1.00 63.24 C ATOM 592 O GLY A 40 29.899 -3.288 16.768 1.00 33.41 O ATOM 0 H GLY A 40 27.947 -1.259 14.596 1.00 51.12 H new ATOM 0 HA2 GLY A 40 27.985 -1.735 17.382 1.00 41.51 H new ATOM 0 HA3 GLY A 40 26.935 -2.919 16.629 1.00 41.51 H new ATOM 596 N LEU A 41 28.973 -3.400 14.708 1.00 72.01 N ATOM 597 CA LEU A 41 30.070 -4.160 14.134 1.00 22.33 C ATOM 598 C LEU A 41 31.107 -3.195 13.556 1.00 13.43 C ATOM 599 O LEU A 41 30.827 -2.010 13.381 1.00 55.21 O ATOM 600 CB LEU A 41 29.544 -5.178 13.120 1.00 45.44 C ATOM 601 CG LEU A 41 28.998 -4.600 11.813 1.00 73.15 C ATOM 602 CD1 LEU A 41 29.101 -5.620 10.677 1.00 45.12 C ATOM 603 CD2 LEU A 41 27.567 -4.089 11.995 1.00 62.00 C ATOM 0 H LEU A 41 28.217 -3.186 14.058 1.00 72.01 H new ATOM 0 HA LEU A 41 30.573 -4.744 14.905 1.00 22.33 H new ATOM 0 HB2 LEU A 41 30.350 -5.871 12.879 1.00 45.44 H new ATOM 0 HB3 LEU A 41 28.754 -5.760 13.595 1.00 45.44 H new ATOM 0 HG LEU A 41 29.613 -3.744 11.535 1.00 73.15 H new ATOM 0 HD11 LEU A 41 28.706 -5.184 9.759 1.00 45.12 H new ATOM 0 HD12 LEU A 41 30.145 -5.895 10.528 1.00 45.12 H new ATOM 0 HD13 LEU A 41 28.525 -6.509 10.933 1.00 45.12 H new ATOM 0 HD21 LEU A 41 27.203 -3.683 11.051 1.00 62.00 H new ATOM 0 HD22 LEU A 41 26.924 -4.911 12.309 1.00 62.00 H new ATOM 0 HD23 LEU A 41 27.554 -3.308 12.755 1.00 62.00 H new ATOM 615 N SER A 42 32.283 -3.737 13.276 1.00 35.14 N ATOM 616 CA SER A 42 33.362 -2.938 12.722 1.00 63.32 C ATOM 617 C SER A 42 33.868 -3.571 11.423 1.00 15.25 C ATOM 618 O SER A 42 34.820 -4.349 11.437 1.00 3.53 O ATOM 619 CB SER A 42 34.510 -2.793 13.723 1.00 11.20 C ATOM 620 OG SER A 42 34.084 -2.183 14.938 1.00 10.34 O ATOM 0 H SER A 42 32.512 -4.720 13.423 1.00 35.14 H new ATOM 0 HA SER A 42 32.975 -1.942 12.507 1.00 63.32 H new ATOM 0 HB2 SER A 42 34.930 -3.776 13.938 1.00 11.20 H new ATOM 0 HB3 SER A 42 35.306 -2.197 13.278 1.00 11.20 H new ATOM 0 HG SER A 42 34.845 -2.110 15.551 1.00 10.34 H new ATOM 626 N PRO A 43 33.189 -3.204 10.303 1.00 11.14 N ATOM 627 CA PRO A 43 33.559 -3.727 8.999 1.00 11.33 C ATOM 628 C PRO A 43 34.837 -3.062 8.484 1.00 1.35 C ATOM 629 O PRO A 43 35.038 -1.863 8.676 1.00 60.43 O ATOM 630 CB PRO A 43 32.353 -3.462 8.113 1.00 40.13 C ATOM 631 CG PRO A 43 31.540 -2.392 8.823 1.00 2.22 C ATOM 632 CD PRO A 43 32.056 -2.285 10.249 1.00 35.22 C ATOM 0 HA PRO A 43 33.793 -4.791 9.023 1.00 11.33 H new ATOM 0 HB2 PRO A 43 32.662 -3.125 7.124 1.00 40.13 H new ATOM 0 HB3 PRO A 43 31.765 -4.369 7.972 1.00 40.13 H new ATOM 0 HG2 PRO A 43 31.636 -1.436 8.309 1.00 2.22 H new ATOM 0 HG3 PRO A 43 30.481 -2.651 8.818 1.00 2.22 H new ATOM 0 HD2 PRO A 43 32.362 -1.265 10.484 1.00 35.22 H new ATOM 0 HD3 PRO A 43 31.287 -2.562 10.970 1.00 35.22 H new ATOM 640 N SER A 44 35.668 -3.869 7.841 1.00 1.33 N ATOM 641 CA SER A 44 36.921 -3.374 7.297 1.00 2.53 C ATOM 642 C SER A 44 36.716 -2.901 5.857 1.00 71.14 C ATOM 643 O SER A 44 35.986 -3.530 5.091 1.00 3.44 O ATOM 644 CB SER A 44 38.009 -4.448 7.354 1.00 52.03 C ATOM 645 OG SER A 44 37.871 -5.288 8.497 1.00 41.40 O ATOM 0 H SER A 44 35.498 -4.862 7.685 1.00 1.33 H new ATOM 0 HA SER A 44 37.249 -2.531 7.906 1.00 2.53 H new ATOM 0 HB2 SER A 44 37.966 -5.056 6.450 1.00 52.03 H new ATOM 0 HB3 SER A 44 38.989 -3.971 7.371 1.00 52.03 H new ATOM 0 HG SER A 44 37.584 -6.181 8.214 1.00 41.40 H new ATOM 651 N GLU A 45 37.373 -1.798 5.530 1.00 13.33 N ATOM 652 CA GLU A 45 37.271 -1.234 4.195 1.00 45.30 C ATOM 653 C GLU A 45 37.305 -2.346 3.145 1.00 30.10 C ATOM 654 O GLU A 45 36.739 -2.200 2.062 1.00 5.05 O ATOM 655 CB GLU A 45 38.382 -0.211 3.946 1.00 30.20 C ATOM 656 CG GLU A 45 39.680 -0.903 3.525 1.00 71.04 C ATOM 657 CD GLU A 45 40.842 0.092 3.480 1.00 72.42 C ATOM 658 OE1 GLU A 45 41.620 0.180 4.441 1.00 31.52 O ATOM 659 OE2 GLU A 45 40.922 0.788 2.397 1.00 53.11 O ATOM 0 H GLU A 45 37.978 -1.280 6.167 1.00 13.33 H new ATOM 0 HA GLU A 45 36.317 -0.713 4.114 1.00 45.30 H new ATOM 0 HB2 GLU A 45 38.070 0.488 3.170 1.00 30.20 H new ATOM 0 HB3 GLU A 45 38.554 0.372 4.851 1.00 30.20 H new ATOM 0 HG2 GLU A 45 39.911 -1.706 4.224 1.00 71.04 H new ATOM 0 HG3 GLU A 45 39.551 -1.361 2.544 1.00 71.04 H new ATOM 667 N ALA A 46 37.973 -3.433 3.502 1.00 44.02 N ATOM 668 CA ALA A 46 38.088 -4.570 2.604 1.00 40.41 C ATOM 669 C ALA A 46 36.775 -5.354 2.611 1.00 75.11 C ATOM 670 O ALA A 46 36.226 -5.663 1.554 1.00 0.12 O ATOM 671 CB ALA A 46 39.283 -5.430 3.019 1.00 42.20 C ATOM 0 H ALA A 46 38.440 -3.551 4.401 1.00 44.02 H new ATOM 0 HA ALA A 46 38.267 -4.235 1.582 1.00 40.41 H new ATOM 0 HB1 ALA A 46 39.369 -6.283 2.345 1.00 42.20 H new ATOM 0 HB2 ALA A 46 40.195 -4.835 2.969 1.00 42.20 H new ATOM 0 HB3 ALA A 46 39.138 -5.786 4.039 1.00 42.20 H new ATOM 677 N GLU A 47 36.308 -5.654 3.814 1.00 20.12 N ATOM 678 CA GLU A 47 35.069 -6.397 3.973 1.00 42.32 C ATOM 679 C GLU A 47 33.913 -5.650 3.303 1.00 25.43 C ATOM 680 O GLU A 47 33.024 -6.270 2.721 1.00 3.32 O ATOM 681 CB GLU A 47 34.771 -6.657 5.451 1.00 41.43 C ATOM 682 CG GLU A 47 35.913 -7.429 6.113 1.00 65.51 C ATOM 683 CD GLU A 47 35.600 -7.719 7.582 1.00 31.51 C ATOM 684 OE1 GLU A 47 34.424 -7.720 7.977 1.00 64.23 O ATOM 685 OE2 GLU A 47 36.630 -7.951 8.324 1.00 74.10 O ATOM 0 H GLU A 47 36.765 -5.396 4.688 1.00 20.12 H new ATOM 0 HA GLU A 47 35.183 -7.365 3.484 1.00 42.32 H new ATOM 0 HB2 GLU A 47 34.621 -5.709 5.968 1.00 41.43 H new ATOM 0 HB3 GLU A 47 33.843 -7.222 5.545 1.00 41.43 H new ATOM 0 HG2 GLU A 47 36.080 -8.366 5.581 1.00 65.51 H new ATOM 0 HG3 GLU A 47 36.836 -6.853 6.041 1.00 65.51 H new ATOM 693 N VAL A 48 33.964 -4.331 3.408 1.00 14.43 N ATOM 694 CA VAL A 48 32.932 -3.493 2.820 1.00 32.33 C ATOM 695 C VAL A 48 33.024 -3.573 1.295 1.00 22.11 C ATOM 696 O VAL A 48 32.023 -3.808 0.620 1.00 20.55 O ATOM 697 CB VAL A 48 33.052 -2.064 3.353 1.00 55.15 C ATOM 698 CG1 VAL A 48 31.745 -1.293 3.153 1.00 32.52 C ATOM 699 CG2 VAL A 48 33.472 -2.060 4.824 1.00 75.13 C ATOM 0 H VAL A 48 34.704 -3.821 3.891 1.00 14.43 H new ATOM 0 HA VAL A 48 31.942 -3.849 3.105 1.00 32.33 H new ATOM 0 HB VAL A 48 33.830 -1.558 2.782 1.00 55.15 H new ATOM 0 HG11 VAL A 48 31.857 -0.280 3.540 1.00 32.52 H new ATOM 0 HG12 VAL A 48 31.506 -1.251 2.090 1.00 32.52 H new ATOM 0 HG13 VAL A 48 30.939 -1.798 3.686 1.00 32.52 H new ATOM 0 HG21 VAL A 48 33.550 -1.032 5.177 1.00 75.13 H new ATOM 0 HG22 VAL A 48 32.728 -2.592 5.416 1.00 75.13 H new ATOM 0 HG23 VAL A 48 34.438 -2.553 4.928 1.00 75.13 H new ATOM 709 N ASN A 49 34.235 -3.372 0.796 1.00 21.43 N ATOM 710 CA ASN A 49 34.471 -3.419 -0.637 1.00 4.43 C ATOM 711 C ASN A 49 33.745 -4.627 -1.230 1.00 61.42 C ATOM 712 O ASN A 49 33.356 -4.611 -2.397 1.00 11.11 O ATOM 713 CB ASN A 49 35.963 -3.565 -0.945 1.00 32.14 C ATOM 714 CG ASN A 49 36.631 -2.196 -1.085 1.00 12.11 C ATOM 715 OD1 ASN A 49 36.120 -1.290 -1.723 1.00 3.33 O ATOM 716 ND2 ASN A 49 37.798 -2.096 -0.455 1.00 60.43 N ATOM 0 H ASN A 49 35.063 -3.176 1.359 1.00 21.43 H new ATOM 0 HA ASN A 49 34.103 -2.489 -1.070 1.00 4.43 H new ATOM 0 HB2 ASN A 49 36.448 -4.131 -0.150 1.00 32.14 H new ATOM 0 HB3 ASN A 49 36.094 -4.133 -1.866 1.00 32.14 H new ATOM 0 HD21 ASN A 49 38.322 -1.222 -0.488 1.00 60.43 H new ATOM 0 HD22 ASN A 49 38.169 -2.894 0.061 1.00 60.43 H new ATOM 723 N ASP A 50 33.584 -5.647 -0.400 1.00 25.32 N ATOM 724 CA ASP A 50 32.912 -6.862 -0.828 1.00 32.12 C ATOM 725 C ASP A 50 31.399 -6.638 -0.804 1.00 14.54 C ATOM 726 O ASP A 50 30.699 -7.000 -1.748 1.00 15.21 O ATOM 727 CB ASP A 50 33.232 -8.028 0.109 1.00 32.24 C ATOM 728 CG ASP A 50 32.709 -9.390 -0.351 1.00 75.21 C ATOM 729 OD1 ASP A 50 32.777 -9.732 -1.541 1.00 52.52 O ATOM 730 OD2 ASP A 50 32.207 -10.125 0.583 1.00 74.44 O ATOM 0 H ASP A 50 33.908 -5.657 0.567 1.00 25.32 H new ATOM 0 HA ASP A 50 33.258 -7.102 -1.833 1.00 32.12 H new ATOM 0 HB2 ASP A 50 34.314 -8.092 0.228 1.00 32.24 H new ATOM 0 HB3 ASP A 50 32.816 -7.809 1.092 1.00 32.24 H new ATOM 736 N LEU A 51 30.938 -6.041 0.286 1.00 24.23 N ATOM 737 CA LEU A 51 29.521 -5.764 0.446 1.00 70.01 C ATOM 738 C LEU A 51 29.089 -4.724 -0.590 1.00 3.23 C ATOM 739 O LEU A 51 27.902 -4.588 -0.880 1.00 51.33 O ATOM 740 CB LEU A 51 29.213 -5.360 1.889 1.00 4.51 C ATOM 741 CG LEU A 51 29.672 -6.338 2.972 1.00 33.22 C ATOM 742 CD1 LEU A 51 28.990 -6.036 4.308 1.00 30.11 C ATOM 743 CD2 LEU A 51 29.452 -7.787 2.531 1.00 14.41 C ATOM 0 H LEU A 51 31.522 -5.741 1.067 1.00 24.23 H new ATOM 0 HA LEU A 51 28.934 -6.663 0.260 1.00 70.01 H new ATOM 0 HB2 LEU A 51 29.677 -4.392 2.081 1.00 4.51 H new ATOM 0 HB3 LEU A 51 28.136 -5.222 1.985 1.00 4.51 H new ATOM 0 HG LEU A 51 30.744 -6.205 3.120 1.00 33.22 H new ATOM 0 HD11 LEU A 51 29.334 -6.746 5.061 1.00 30.11 H new ATOM 0 HD12 LEU A 51 29.240 -5.023 4.623 1.00 30.11 H new ATOM 0 HD13 LEU A 51 27.910 -6.124 4.193 1.00 30.11 H new ATOM 0 HD21 LEU A 51 29.787 -8.462 3.319 1.00 14.41 H new ATOM 0 HD22 LEU A 51 28.392 -7.952 2.338 1.00 14.41 H new ATOM 0 HD23 LEU A 51 30.021 -7.981 1.622 1.00 14.41 H new ATOM 755 N MET A 52 30.077 -4.016 -1.118 1.00 62.41 N ATOM 756 CA MET A 52 29.814 -2.993 -2.115 1.00 44.41 C ATOM 757 C MET A 52 29.860 -3.578 -3.528 1.00 24.31 C ATOM 758 O MET A 52 29.407 -2.947 -4.481 1.00 15.43 O ATOM 759 CB MET A 52 30.856 -1.879 -1.990 1.00 11.20 C ATOM 760 CG MET A 52 30.893 -1.320 -0.566 1.00 54.01 C ATOM 761 SD MET A 52 29.678 -0.024 -0.387 1.00 60.23 S ATOM 762 CE MET A 52 30.220 1.088 -1.673 1.00 43.54 C ATOM 0 H MET A 52 31.061 -4.131 -0.874 1.00 62.41 H new ATOM 0 HA MET A 52 28.816 -2.591 -1.941 1.00 44.41 H new ATOM 0 HB2 MET A 52 31.840 -2.264 -2.259 1.00 11.20 H new ATOM 0 HB3 MET A 52 30.624 -1.079 -2.693 1.00 11.20 H new ATOM 0 HG2 MET A 52 30.696 -2.117 0.151 1.00 54.01 H new ATOM 0 HG3 MET A 52 31.887 -0.931 -0.345 1.00 54.01 H new ATOM 0 HE1 MET A 52 29.880 2.099 -1.447 1.00 43.54 H new ATOM 0 HE2 MET A 52 31.308 1.075 -1.730 1.00 43.54 H new ATOM 0 HE3 MET A 52 29.803 0.770 -2.629 1.00 43.54 H new ATOM 772 N ASN A 53 30.413 -4.779 -3.618 1.00 74.24 N ATOM 773 CA ASN A 53 30.524 -5.457 -4.899 1.00 32.33 C ATOM 774 C ASN A 53 29.130 -5.877 -5.371 1.00 64.03 C ATOM 775 O ASN A 53 28.875 -5.953 -6.572 1.00 60.01 O ATOM 776 CB ASN A 53 31.383 -6.718 -4.782 1.00 11.23 C ATOM 777 CG ASN A 53 32.097 -7.019 -6.101 1.00 33.41 C ATOM 778 OD1 ASN A 53 31.510 -7.495 -7.059 1.00 42.13 O ATOM 779 ND2 ASN A 53 33.392 -6.717 -6.097 1.00 32.34 N ATOM 0 H ASN A 53 30.789 -5.300 -2.825 1.00 74.24 H new ATOM 0 HA ASN A 53 30.988 -4.769 -5.606 1.00 32.33 H new ATOM 0 HB2 ASN A 53 32.118 -6.589 -3.988 1.00 11.23 H new ATOM 0 HB3 ASN A 53 30.756 -7.565 -4.502 1.00 11.23 H new ATOM 0 HD21 ASN A 53 33.957 -6.881 -6.930 1.00 32.34 H new ATOM 0 HD22 ASN A 53 33.821 -6.321 -5.261 1.00 32.34 H new ATOM 786 N GLU A 54 28.266 -6.139 -4.402 1.00 53.41 N ATOM 787 CA GLU A 54 26.905 -6.549 -4.704 1.00 12.31 C ATOM 788 C GLU A 54 26.057 -5.334 -5.087 1.00 31.05 C ATOM 789 O GLU A 54 25.187 -5.427 -5.951 1.00 34.43 O ATOM 790 CB GLU A 54 26.285 -7.301 -3.525 1.00 14.12 C ATOM 791 CG GLU A 54 25.807 -6.329 -2.444 1.00 54.45 C ATOM 792 CD GLU A 54 25.609 -7.047 -1.108 1.00 71.54 C ATOM 793 OE1 GLU A 54 25.592 -6.399 -0.052 1.00 3.32 O ATOM 794 OE2 GLU A 54 25.468 -8.327 -1.193 1.00 41.04 O ATOM 0 H GLU A 54 28.482 -6.075 -3.407 1.00 53.41 H new ATOM 0 HA GLU A 54 26.932 -7.231 -5.554 1.00 12.31 H new ATOM 0 HB2 GLU A 54 25.446 -7.903 -3.874 1.00 14.12 H new ATOM 0 HB3 GLU A 54 27.017 -7.989 -3.102 1.00 14.12 H new ATOM 0 HG2 GLU A 54 26.534 -5.526 -2.325 1.00 54.45 H new ATOM 0 HG3 GLU A 54 24.870 -5.867 -2.755 1.00 54.45 H new ATOM 802 N ILE A 55 26.340 -4.222 -4.424 1.00 65.12 N ATOM 803 CA ILE A 55 25.615 -2.990 -4.684 1.00 73.41 C ATOM 804 C ILE A 55 26.226 -2.290 -5.899 1.00 60.03 C ATOM 805 O ILE A 55 25.589 -1.436 -6.514 1.00 34.30 O ATOM 806 CB ILE A 55 25.573 -2.118 -3.428 1.00 11.01 C ATOM 807 CG1 ILE A 55 25.011 -2.898 -2.237 1.00 51.44 C ATOM 808 CG2 ILE A 55 24.796 -0.825 -3.684 1.00 45.32 C ATOM 809 CD1 ILE A 55 25.510 -2.313 -0.914 1.00 54.34 C ATOM 0 H ILE A 55 27.062 -4.149 -3.707 1.00 65.12 H new ATOM 0 HA ILE A 55 24.575 -3.205 -4.930 1.00 73.41 H new ATOM 0 HB ILE A 55 26.595 -1.835 -3.174 1.00 11.01 H new ATOM 0 HG12 ILE A 55 23.922 -2.872 -2.262 1.00 51.44 H new ATOM 0 HG13 ILE A 55 25.307 -3.944 -2.311 1.00 51.44 H new ATOM 0 HG21 ILE A 55 24.781 -0.223 -2.775 1.00 45.32 H new ATOM 0 HG22 ILE A 55 25.278 -0.263 -4.484 1.00 45.32 H new ATOM 0 HG23 ILE A 55 23.774 -1.066 -3.976 1.00 45.32 H new ATOM 0 HD11 ILE A 55 25.096 -2.885 -0.084 1.00 54.34 H new ATOM 0 HD12 ILE A 55 26.598 -2.362 -0.882 1.00 54.34 H new ATOM 0 HD13 ILE A 55 25.192 -1.274 -0.833 1.00 54.34 H new ATOM 821 N ASP A 56 27.455 -2.677 -6.209 1.00 74.13 N ATOM 822 CA ASP A 56 28.159 -2.097 -7.340 1.00 2.01 C ATOM 823 C ASP A 56 27.758 -2.836 -8.618 1.00 45.35 C ATOM 824 O ASP A 56 27.845 -4.061 -8.685 1.00 15.13 O ATOM 825 CB ASP A 56 29.674 -2.230 -7.172 1.00 60.11 C ATOM 826 CG ASP A 56 30.350 -1.061 -6.454 1.00 2.25 C ATOM 827 OD1 ASP A 56 30.086 0.113 -6.755 1.00 23.31 O ATOM 828 OD2 ASP A 56 31.192 -1.398 -5.536 1.00 70.10 O ATOM 0 H ASP A 56 27.981 -3.385 -5.697 1.00 74.13 H new ATOM 0 HA ASP A 56 27.894 -1.041 -7.397 1.00 2.01 H new ATOM 0 HB2 ASP A 56 29.884 -3.146 -6.620 1.00 60.11 H new ATOM 0 HB3 ASP A 56 30.125 -2.341 -8.158 1.00 60.11 H new ATOM 834 N VAL A 57 27.329 -2.059 -9.602 1.00 61.35 N ATOM 835 CA VAL A 57 26.915 -2.625 -10.875 1.00 52.44 C ATOM 836 C VAL A 57 28.110 -2.649 -11.831 1.00 13.23 C ATOM 837 O VAL A 57 28.223 -3.440 -12.746 1.00 42.44 O ATOM 838 CB VAL A 57 25.721 -1.845 -11.431 1.00 2.24 C ATOM 839 CG1 VAL A 57 25.469 -2.200 -12.897 1.00 52.32 C ATOM 840 CG2 VAL A 57 24.469 -2.084 -10.585 1.00 72.20 C ATOM 0 H VAL A 57 27.259 -1.043 -9.544 1.00 61.35 H new ATOM 0 HA VAL A 57 26.582 -3.655 -10.745 1.00 52.44 H new ATOM 0 HB VAL A 57 25.961 -0.783 -11.381 1.00 2.24 H new ATOM 0 HG11 VAL A 57 24.616 -1.632 -13.267 1.00 52.32 H new ATOM 0 HG12 VAL A 57 26.352 -1.955 -13.488 1.00 52.32 H new ATOM 0 HG13 VAL A 57 25.260 -3.266 -12.982 1.00 52.32 H new ATOM 0 HG21 VAL A 57 23.635 -1.519 -11.001 1.00 72.20 H new ATOM 0 HG22 VAL A 57 24.225 -3.146 -10.589 1.00 72.20 H new ATOM 0 HG23 VAL A 57 24.654 -1.758 -9.562 1.00 72.20 H new ATOM 850 N ASP A 58 29.022 -1.746 -11.596 1.00 35.10 N ATOM 851 CA ASP A 58 30.238 -1.670 -12.453 1.00 71.22 C ATOM 852 C ASP A 58 31.493 -1.888 -11.602 1.00 0.33 C ATOM 853 O ASP A 58 32.527 -2.227 -12.176 1.00 13.41 O ATOM 854 CB ASP A 58 30.223 -0.257 -13.037 1.00 2.12 C ATOM 855 CG ASP A 58 30.053 0.761 -11.908 1.00 22.01 C ATOM 856 OD1 ASP A 58 30.980 0.914 -11.129 1.00 14.05 O ATOM 857 OD2 ASP A 58 28.999 1.373 -11.841 1.00 63.15 O ATOM 0 H ASP A 58 28.977 -1.056 -10.846 1.00 35.10 H new ATOM 0 HA ASP A 58 30.245 -2.431 -13.233 1.00 71.22 H new ATOM 0 HB2 ASP A 58 31.150 -0.066 -13.577 1.00 2.12 H new ATOM 0 HB3 ASP A 58 29.410 -0.158 -13.756 1.00 2.12 H new ATOM 862 N GLY A 59 31.390 -1.693 -10.295 1.00 53.43 N ATOM 863 CA GLY A 59 32.535 -1.873 -9.419 1.00 14.21 C ATOM 864 C GLY A 59 33.411 -0.619 -9.397 1.00 64.04 C ATOM 865 O GLY A 59 34.638 -0.714 -9.412 1.00 34.41 O ATOM 0 H GLY A 59 30.531 -1.412 -9.822 1.00 53.43 H new ATOM 0 HA2 GLY A 59 32.193 -2.100 -8.409 1.00 14.21 H new ATOM 0 HA3 GLY A 59 33.124 -2.726 -9.755 1.00 14.21 H new ATOM 869 N ASN A 60 32.748 0.527 -9.363 1.00 42.52 N ATOM 870 CA ASN A 60 33.452 1.799 -9.340 1.00 32.45 C ATOM 871 C ASN A 60 33.686 2.220 -7.887 1.00 64.25 C ATOM 872 O ASN A 60 34.378 3.203 -7.627 1.00 23.34 O ATOM 873 CB ASN A 60 32.632 2.895 -10.023 1.00 60.42 C ATOM 874 CG ASN A 60 31.321 3.146 -9.276 1.00 30.25 C ATOM 875 OD1 ASN A 60 30.909 2.382 -8.418 1.00 3.13 O ATOM 876 ND2 ASN A 60 30.690 4.256 -9.648 1.00 22.15 N ATOM 0 H ASN A 60 31.731 0.602 -9.351 1.00 42.52 H new ATOM 0 HA ASN A 60 34.396 1.672 -9.870 1.00 32.45 H new ATOM 0 HB2 ASN A 60 33.213 3.816 -10.064 1.00 60.42 H new ATOM 0 HB3 ASN A 60 32.419 2.606 -11.052 1.00 60.42 H new ATOM 0 HD21 ASN A 60 29.806 4.512 -9.208 1.00 22.15 H new ATOM 0 HD22 ASN A 60 31.090 4.852 -10.373 1.00 22.15 H new ATOM 883 N HIS A 61 33.097 1.455 -6.980 1.00 53.14 N ATOM 884 CA HIS A 61 33.233 1.737 -5.561 1.00 72.34 C ATOM 885 C HIS A 61 32.394 2.964 -5.199 1.00 62.00 C ATOM 886 O HIS A 61 32.854 3.841 -4.469 1.00 51.14 O ATOM 887 CB HIS A 61 34.706 1.890 -5.177 1.00 14.31 C ATOM 888 CG HIS A 61 34.966 1.798 -3.692 1.00 74.12 C ATOM 889 ND1 HIS A 61 35.318 2.893 -2.923 1.00 53.32 N ATOM 890 CD2 HIS A 61 34.920 0.731 -2.844 1.00 61.42 C ATOM 891 CE1 HIS A 61 35.475 2.492 -1.671 1.00 25.44 C ATOM 892 NE2 HIS A 61 35.229 1.151 -1.624 1.00 21.13 N ATOM 0 H HIS A 61 32.524 0.640 -7.200 1.00 53.14 H new ATOM 0 HA HIS A 61 32.852 0.897 -4.981 1.00 72.34 H new ATOM 0 HB2 HIS A 61 35.285 1.119 -5.685 1.00 14.31 H new ATOM 0 HB3 HIS A 61 35.068 2.852 -5.540 1.00 14.31 H new ATOM 0 HD1 HIS A 61 35.436 3.847 -3.263 1.00 53.32 H new ATOM 0 HD2 HIS A 61 34.674 -0.284 -3.119 1.00 61.42 H new ATOM 0 HE1 HIS A 61 35.750 3.117 -0.834 1.00 25.44 H new ATOM 900 N GLN A 62 31.179 2.987 -5.726 1.00 33.33 N ATOM 901 CA GLN A 62 30.272 4.092 -5.467 1.00 35.10 C ATOM 902 C GLN A 62 28.819 3.630 -5.604 1.00 44.03 C ATOM 903 O GLN A 62 28.408 3.172 -6.669 1.00 40.12 O ATOM 904 CB GLN A 62 30.563 5.270 -6.399 1.00 34.11 C ATOM 905 CG GLN A 62 31.956 5.845 -6.137 1.00 12.45 C ATOM 906 CD GLN A 62 32.091 7.247 -6.734 1.00 44.23 C ATOM 907 OE1 GLN A 62 32.104 8.249 -6.038 1.00 34.34 O ATOM 908 NE2 GLN A 62 32.192 7.262 -8.060 1.00 44.54 N ATOM 0 H GLN A 62 30.801 2.258 -6.331 1.00 33.33 H new ATOM 0 HA GLN A 62 30.429 4.433 -4.444 1.00 35.10 H new ATOM 0 HB2 GLN A 62 30.489 4.944 -7.437 1.00 34.11 H new ATOM 0 HB3 GLN A 62 29.812 6.047 -6.255 1.00 34.11 H new ATOM 0 HG2 GLN A 62 32.142 5.883 -5.064 1.00 12.45 H new ATOM 0 HG3 GLN A 62 32.712 5.188 -6.568 1.00 12.45 H new ATOM 0 HE21 GLN A 62 32.174 6.386 -8.583 1.00 44.54 H new ATOM 0 HE22 GLN A 62 32.287 8.149 -8.554 1.00 44.54 H new ATOM 917 N ILE A 63 28.083 3.766 -4.512 1.00 13.35 N ATOM 918 CA ILE A 63 26.685 3.369 -4.497 1.00 22.43 C ATOM 919 C ILE A 63 25.821 4.540 -4.968 1.00 1.14 C ATOM 920 O ILE A 63 25.801 5.595 -4.335 1.00 34.22 O ATOM 921 CB ILE A 63 26.295 2.832 -3.118 1.00 4.22 C ATOM 922 CG1 ILE A 63 27.260 1.735 -2.663 1.00 44.25 C ATOM 923 CG2 ILE A 63 24.841 2.357 -3.105 1.00 50.43 C ATOM 924 CD1 ILE A 63 27.641 0.822 -3.831 1.00 21.05 C ATOM 0 H ILE A 63 28.428 4.146 -3.630 1.00 13.35 H new ATOM 0 HA ILE A 63 26.515 2.548 -5.193 1.00 22.43 H new ATOM 0 HB ILE A 63 26.374 3.648 -2.400 1.00 4.22 H new ATOM 0 HG12 ILE A 63 28.158 2.187 -2.242 1.00 44.25 H new ATOM 0 HG13 ILE A 63 26.799 1.145 -1.871 1.00 44.25 H new ATOM 0 HG21 ILE A 63 24.590 1.980 -2.113 1.00 50.43 H new ATOM 0 HG22 ILE A 63 24.184 3.190 -3.354 1.00 50.43 H new ATOM 0 HG23 ILE A 63 24.712 1.561 -3.839 1.00 50.43 H new ATOM 0 HD11 ILE A 63 28.327 0.051 -3.481 1.00 21.05 H new ATOM 0 HD12 ILE A 63 26.743 0.353 -4.234 1.00 21.05 H new ATOM 0 HD13 ILE A 63 28.124 1.411 -4.611 1.00 21.05 H new ATOM 936 N GLU A 64 25.128 4.316 -6.075 1.00 25.45 N ATOM 937 CA GLU A 64 24.265 5.339 -6.638 1.00 13.45 C ATOM 938 C GLU A 64 22.848 5.207 -6.074 1.00 42.44 C ATOM 939 O GLU A 64 22.477 4.154 -5.559 1.00 70.02 O ATOM 940 CB GLU A 64 24.256 5.270 -8.166 1.00 32.42 C ATOM 941 CG GLU A 64 25.311 6.202 -8.764 1.00 4.05 C ATOM 942 CD GLU A 64 25.850 5.646 -10.083 1.00 60.12 C ATOM 943 OE1 GLU A 64 26.636 4.686 -10.077 1.00 54.51 O ATOM 944 OE2 GLU A 64 25.423 6.246 -11.142 1.00 44.24 O ATOM 0 H GLU A 64 25.147 3.440 -6.597 1.00 25.45 H new ATOM 0 HA GLU A 64 24.659 6.315 -6.354 1.00 13.45 H new ATOM 0 HB2 GLU A 64 24.446 4.246 -8.488 1.00 32.42 H new ATOM 0 HB3 GLU A 64 23.270 5.544 -8.540 1.00 32.42 H new ATOM 0 HG2 GLU A 64 24.877 7.188 -8.931 1.00 4.05 H new ATOM 0 HG3 GLU A 64 26.131 6.330 -8.057 1.00 4.05 H new ATOM 952 N PHE A 65 22.096 6.292 -6.192 1.00 33.54 N ATOM 953 CA PHE A 65 20.728 6.310 -5.701 1.00 2.04 C ATOM 954 C PHE A 65 19.890 5.220 -6.372 1.00 11.14 C ATOM 955 O PHE A 65 18.875 4.789 -5.827 1.00 22.45 O ATOM 956 CB PHE A 65 20.144 7.678 -6.057 1.00 13.32 C ATOM 957 CG PHE A 65 19.044 8.152 -5.104 1.00 52.15 C ATOM 958 CD1 PHE A 65 19.374 8.738 -3.923 1.00 11.45 C ATOM 959 CD2 PHE A 65 17.736 7.987 -5.440 1.00 23.12 C ATOM 960 CE1 PHE A 65 18.353 9.178 -3.039 1.00 2.03 C ATOM 961 CE2 PHE A 65 16.716 8.427 -4.556 1.00 35.51 C ATOM 962 CZ PHE A 65 17.046 9.013 -3.374 1.00 34.21 C ATOM 0 H PHE A 65 22.408 7.164 -6.620 1.00 33.54 H new ATOM 0 HA PHE A 65 20.716 6.129 -4.626 1.00 2.04 H new ATOM 0 HB2 PHE A 65 20.948 8.414 -6.063 1.00 13.32 H new ATOM 0 HB3 PHE A 65 19.741 7.638 -7.069 1.00 13.32 H new ATOM 0 HD1 PHE A 65 20.412 8.869 -3.657 1.00 11.45 H new ATOM 0 HD2 PHE A 65 17.474 7.522 -6.379 1.00 23.12 H new ATOM 0 HE1 PHE A 65 18.615 9.644 -2.101 1.00 2.03 H new ATOM 0 HE2 PHE A 65 15.678 8.296 -4.822 1.00 35.51 H new ATOM 0 HZ PHE A 65 16.270 9.347 -2.702 1.00 34.21 H new ATOM 972 N SER A 66 20.345 4.806 -7.545 1.00 2.20 N ATOM 973 CA SER A 66 19.650 3.775 -8.296 1.00 72.11 C ATOM 974 C SER A 66 19.970 2.397 -7.713 1.00 11.11 C ATOM 975 O SER A 66 19.081 1.559 -7.567 1.00 44.10 O ATOM 976 CB SER A 66 20.026 3.824 -9.778 1.00 44.41 C ATOM 977 OG SER A 66 19.792 2.579 -10.431 1.00 15.54 O ATOM 0 H SER A 66 21.187 5.166 -7.994 1.00 2.20 H new ATOM 0 HA SER A 66 18.578 3.957 -8.215 1.00 72.11 H new ATOM 0 HB2 SER A 66 19.450 4.606 -10.272 1.00 44.41 H new ATOM 0 HB3 SER A 66 21.078 4.093 -9.876 1.00 44.41 H new ATOM 0 HG SER A 66 20.043 2.653 -11.375 1.00 15.54 H new ATOM 983 N GLU A 67 21.242 2.205 -7.395 1.00 52.41 N ATOM 984 CA GLU A 67 21.690 0.944 -6.831 1.00 62.41 C ATOM 985 C GLU A 67 21.077 0.734 -5.445 1.00 74.43 C ATOM 986 O GLU A 67 20.359 -0.240 -5.221 1.00 63.13 O ATOM 987 CB GLU A 67 23.218 0.883 -6.769 1.00 73.22 C ATOM 988 CG GLU A 67 23.827 0.972 -8.170 1.00 22.23 C ATOM 989 CD GLU A 67 25.318 0.628 -8.142 1.00 10.43 C ATOM 990 OE1 GLU A 67 25.810 -0.070 -9.040 1.00 63.13 O ATOM 991 OE2 GLU A 67 25.971 1.116 -7.142 1.00 21.13 O ATOM 0 H GLU A 67 21.976 2.902 -7.517 1.00 52.41 H new ATOM 0 HA GLU A 67 21.353 0.138 -7.482 1.00 62.41 H new ATOM 0 HB2 GLU A 67 23.594 1.700 -6.153 1.00 73.22 H new ATOM 0 HB3 GLU A 67 23.529 -0.046 -6.291 1.00 73.22 H new ATOM 0 HG2 GLU A 67 23.305 0.290 -8.841 1.00 22.23 H new ATOM 0 HG3 GLU A 67 23.689 1.978 -8.567 1.00 22.23 H new ATOM 999 N PHE A 68 21.381 1.663 -4.551 1.00 51.05 N ATOM 1000 CA PHE A 68 20.868 1.592 -3.194 1.00 22.03 C ATOM 1001 C PHE A 68 19.393 1.186 -3.185 1.00 51.42 C ATOM 1002 O PHE A 68 18.992 0.305 -2.427 1.00 1.15 O ATOM 1003 CB PHE A 68 21.004 2.992 -2.591 1.00 34.42 C ATOM 1004 CG PHE A 68 20.763 3.044 -1.081 1.00 5.44 C ATOM 1005 CD1 PHE A 68 21.596 2.378 -0.236 1.00 53.11 C ATOM 1006 CD2 PHE A 68 19.718 3.758 -0.583 1.00 30.52 C ATOM 1007 CE1 PHE A 68 21.373 2.427 1.165 1.00 12.04 C ATOM 1008 CE2 PHE A 68 19.495 3.806 0.819 1.00 41.52 C ATOM 1009 CZ PHE A 68 20.327 3.140 1.663 1.00 3.13 C ATOM 0 H PHE A 68 21.976 2.469 -4.740 1.00 51.05 H new ATOM 0 HA PHE A 68 21.424 0.848 -2.624 1.00 22.03 H new ATOM 0 HB2 PHE A 68 22.003 3.372 -2.803 1.00 34.42 H new ATOM 0 HB3 PHE A 68 20.298 3.660 -3.085 1.00 34.42 H new ATOM 0 HD1 PHE A 68 22.427 1.812 -0.631 1.00 53.11 H new ATOM 0 HD2 PHE A 68 19.058 4.288 -1.253 1.00 30.52 H new ATOM 0 HE1 PHE A 68 22.034 1.898 1.836 1.00 12.04 H new ATOM 0 HE2 PHE A 68 18.664 4.372 1.215 1.00 41.52 H new ATOM 0 HZ PHE A 68 20.158 3.177 2.729 1.00 3.13 H new ATOM 1019 N LEU A 69 18.625 1.849 -4.038 1.00 22.02 N ATOM 1020 CA LEU A 69 17.203 1.568 -4.138 1.00 50.51 C ATOM 1021 C LEU A 69 17.003 0.110 -4.557 1.00 3.54 C ATOM 1022 O LEU A 69 16.136 -0.579 -4.022 1.00 63.33 O ATOM 1023 CB LEU A 69 16.523 2.574 -5.069 1.00 52.21 C ATOM 1024 CG LEU A 69 15.981 3.842 -4.406 1.00 2.21 C ATOM 1025 CD1 LEU A 69 17.122 4.725 -3.897 1.00 44.12 C ATOM 1026 CD2 LEU A 69 15.048 4.600 -5.352 1.00 42.34 C ATOM 0 H LEU A 69 18.961 2.580 -4.666 1.00 22.02 H new ATOM 0 HA LEU A 69 16.722 1.690 -3.168 1.00 50.51 H new ATOM 0 HB2 LEU A 69 17.237 2.867 -5.838 1.00 52.21 H new ATOM 0 HB3 LEU A 69 15.698 2.071 -5.574 1.00 52.21 H new ATOM 0 HG LEU A 69 15.390 3.548 -3.539 1.00 2.21 H new ATOM 0 HD11 LEU A 69 16.709 5.619 -3.430 1.00 44.12 H new ATOM 0 HD12 LEU A 69 17.711 4.172 -3.165 1.00 44.12 H new ATOM 0 HD13 LEU A 69 17.760 5.013 -4.733 1.00 44.12 H new ATOM 0 HD21 LEU A 69 14.677 5.497 -4.856 1.00 42.34 H new ATOM 0 HD22 LEU A 69 15.594 4.883 -6.252 1.00 42.34 H new ATOM 0 HD23 LEU A 69 14.207 3.961 -5.623 1.00 42.34 H new ATOM 1038 N ALA A 70 17.820 -0.316 -5.509 1.00 3.34 N ATOM 1039 CA ALA A 70 17.744 -1.679 -6.005 1.00 24.20 C ATOM 1040 C ALA A 70 17.862 -2.652 -4.830 1.00 62.32 C ATOM 1041 O ALA A 70 17.280 -3.736 -4.856 1.00 40.51 O ATOM 1042 CB ALA A 70 18.833 -1.901 -7.057 1.00 52.11 C ATOM 0 H ALA A 70 18.538 0.259 -5.950 1.00 3.34 H new ATOM 0 HA ALA A 70 16.783 -1.859 -6.487 1.00 24.20 H new ATOM 0 HB1 ALA A 70 18.776 -2.924 -7.429 1.00 52.11 H new ATOM 0 HB2 ALA A 70 18.688 -1.205 -7.883 1.00 52.11 H new ATOM 0 HB3 ALA A 70 19.812 -1.732 -6.609 1.00 52.11 H new ATOM 1048 N LEU A 71 18.619 -2.231 -3.828 1.00 3.01 N ATOM 1049 CA LEU A 71 18.821 -3.052 -2.646 1.00 11.31 C ATOM 1050 C LEU A 71 17.469 -3.327 -1.985 1.00 32.11 C ATOM 1051 O LEU A 71 17.264 -4.391 -1.402 1.00 10.31 O ATOM 1052 CB LEU A 71 19.842 -2.402 -1.710 1.00 51.30 C ATOM 1053 CG LEU A 71 21.168 -1.985 -2.350 1.00 12.44 C ATOM 1054 CD1 LEU A 71 22.168 -1.525 -1.287 1.00 41.55 C ATOM 1055 CD2 LEU A 71 21.733 -3.108 -3.221 1.00 42.33 C ATOM 0 H LEU A 71 19.100 -1.332 -3.810 1.00 3.01 H new ATOM 0 HA LEU A 71 19.245 -4.018 -2.921 1.00 11.31 H new ATOM 0 HB2 LEU A 71 19.384 -1.520 -1.262 1.00 51.30 H new ATOM 0 HB3 LEU A 71 20.056 -3.098 -0.898 1.00 51.30 H new ATOM 0 HG LEU A 71 20.980 -1.134 -3.005 1.00 12.44 H new ATOM 0 HD11 LEU A 71 23.102 -1.234 -1.768 1.00 41.55 H new ATOM 0 HD12 LEU A 71 21.757 -0.672 -0.746 1.00 41.55 H new ATOM 0 HD13 LEU A 71 22.358 -2.340 -0.589 1.00 41.55 H new ATOM 0 HD21 LEU A 71 22.675 -2.786 -3.664 1.00 42.33 H new ATOM 0 HD22 LEU A 71 21.904 -3.993 -2.608 1.00 42.33 H new ATOM 0 HD23 LEU A 71 21.023 -3.347 -4.013 1.00 42.33 H new ATOM 1067 N MET A 72 16.581 -2.350 -2.098 1.00 71.31 N ATOM 1068 CA MET A 72 15.254 -2.474 -1.519 1.00 21.13 C ATOM 1069 C MET A 72 14.237 -2.925 -2.569 1.00 60.20 C ATOM 1070 O MET A 72 13.038 -2.974 -2.297 1.00 5.11 O ATOM 1071 CB MET A 72 14.823 -1.126 -0.937 1.00 23.34 C ATOM 1072 CG MET A 72 15.945 -0.507 -0.100 1.00 35.25 C ATOM 1073 SD MET A 72 15.611 1.223 0.183 1.00 42.53 S ATOM 1074 CE MET A 72 17.201 1.918 -0.239 1.00 14.01 C ATOM 0 H MET A 72 16.755 -1.469 -2.582 1.00 71.31 H new ATOM 0 HA MET A 72 15.291 -3.226 -0.730 1.00 21.13 H new ATOM 0 HB2 MET A 72 14.550 -0.447 -1.745 1.00 23.34 H new ATOM 0 HB3 MET A 72 13.935 -1.260 -0.319 1.00 23.34 H new ATOM 0 HG2 MET A 72 16.030 -1.030 0.852 1.00 35.25 H new ATOM 0 HG3 MET A 72 16.899 -0.622 -0.614 1.00 35.25 H new ATOM 0 HE1 MET A 72 17.117 3.003 -0.307 1.00 14.01 H new ATOM 0 HE2 MET A 72 17.928 1.658 0.530 1.00 14.01 H new ATOM 0 HE3 MET A 72 17.530 1.519 -1.198 1.00 14.01 H new ATOM 1084 N SER A 73 14.753 -3.244 -3.747 1.00 53.22 N ATOM 1085 CA SER A 73 13.904 -3.689 -4.840 1.00 24.34 C ATOM 1086 C SER A 73 14.418 -5.020 -5.392 1.00 23.53 C ATOM 1087 O SER A 73 13.904 -5.523 -6.389 1.00 54.05 O ATOM 1088 CB SER A 73 13.844 -2.641 -5.952 1.00 74.24 C ATOM 1089 OG SER A 73 14.869 -2.833 -6.923 1.00 71.33 O ATOM 0 H SER A 73 15.748 -3.203 -3.969 1.00 53.22 H new ATOM 0 HA SER A 73 12.894 -3.828 -4.454 1.00 24.34 H new ATOM 0 HB2 SER A 73 12.870 -2.685 -6.439 1.00 74.24 H new ATOM 0 HB3 SER A 73 13.938 -1.646 -5.518 1.00 74.24 H new ATOM 0 HG SER A 73 14.795 -2.145 -7.617 1.00 71.33 H new ATOM 1095 N ARG A 74 15.427 -5.554 -4.718 1.00 42.35 N ATOM 1096 CA ARG A 74 16.016 -6.817 -5.129 1.00 44.12 C ATOM 1097 C ARG A 74 15.190 -7.987 -4.593 1.00 72.41 C ATOM 1098 O ARG A 74 15.431 -9.139 -4.953 1.00 40.41 O ATOM 1099 CB ARG A 74 17.455 -6.944 -4.624 1.00 11.42 C ATOM 1100 CG ARG A 74 17.485 -7.227 -3.120 1.00 50.05 C ATOM 1101 CD ARG A 74 18.920 -7.421 -2.628 1.00 24.33 C ATOM 1102 NE ARG A 74 19.652 -8.324 -3.544 1.00 22.21 N ATOM 1103 CZ ARG A 74 20.993 -8.321 -3.698 1.00 63.32 C ATOM 1104 NH1 ARG A 74 21.762 -7.461 -2.997 1.00 32.01 N ATOM 1105 NH2 ARG A 74 21.542 -9.172 -4.545 1.00 70.13 N ATOM 0 H ARG A 74 15.851 -5.135 -3.890 1.00 42.35 H new ATOM 0 HA ARG A 74 16.022 -6.841 -6.219 1.00 44.12 H new ATOM 0 HB2 ARG A 74 17.963 -7.747 -5.159 1.00 11.42 H new ATOM 0 HB3 ARG A 74 18.001 -6.025 -4.836 1.00 11.42 H new ATOM 0 HG2 ARG A 74 17.021 -6.401 -2.581 1.00 50.05 H new ATOM 0 HG3 ARG A 74 16.898 -8.119 -2.902 1.00 50.05 H new ATOM 0 HD2 ARG A 74 19.427 -6.458 -2.572 1.00 24.33 H new ATOM 0 HD3 ARG A 74 18.915 -7.838 -1.621 1.00 24.33 H new ATOM 0 HE ARG A 74 19.109 -8.990 -4.093 1.00 22.21 H new ATOM 0 HH11 ARG A 74 21.330 -6.806 -2.345 1.00 32.01 H new ATOM 0 HH12 ARG A 74 22.775 -7.466 -3.120 1.00 32.01 H new ATOM 0 HH21 ARG A 74 20.954 -9.819 -5.071 1.00 70.13 H new ATOM 0 HH22 ARG A 74 22.554 -9.183 -4.673 1.00 70.13 H new ATOM 1118 N GLN A 75 14.232 -7.653 -3.741 1.00 52.33 N ATOM 1119 CA GLN A 75 13.368 -8.662 -3.152 1.00 42.21 C ATOM 1120 C GLN A 75 12.112 -8.011 -2.569 1.00 5.24 C ATOM 1121 O GLN A 75 12.187 -6.942 -1.964 1.00 31.31 O ATOM 1122 CB GLN A 75 14.114 -9.467 -2.086 1.00 71.22 C ATOM 1123 CG GLN A 75 14.288 -8.651 -0.804 1.00 50.20 C ATOM 1124 CD GLN A 75 15.326 -7.543 -0.996 1.00 22.41 C ATOM 1125 OE1 GLN A 75 16.510 -7.720 -0.761 1.00 44.15 O ATOM 1126 NE2 GLN A 75 14.818 -6.395 -1.434 1.00 72.33 N ATOM 0 H GLN A 75 14.035 -6.697 -3.444 1.00 52.33 H new ATOM 0 HA GLN A 75 13.063 -9.355 -3.936 1.00 42.21 H new ATOM 0 HB2 GLN A 75 13.565 -10.383 -1.867 1.00 71.22 H new ATOM 0 HB3 GLN A 75 15.091 -9.764 -2.467 1.00 71.22 H new ATOM 0 HG2 GLN A 75 13.333 -8.213 -0.515 1.00 50.20 H new ATOM 0 HG3 GLN A 75 14.597 -9.307 0.010 1.00 50.20 H new ATOM 0 HE21 GLN A 75 13.817 -6.315 -1.611 1.00 72.33 H new ATOM 0 HE22 GLN A 75 15.430 -5.594 -1.593 1.00 72.33 H new ATOM 1135 N LEU A 76 10.988 -8.682 -2.771 1.00 23.25 N ATOM 1136 CA LEU A 76 9.718 -8.182 -2.272 1.00 62.30 C ATOM 1137 C LEU A 76 9.039 -9.270 -1.438 1.00 21.24 C ATOM 1138 O LEU A 76 9.036 -9.204 -0.209 1.00 65.54 O ATOM 1139 CB LEU A 76 8.857 -7.664 -3.425 1.00 54.12 C ATOM 1140 CG LEU A 76 9.147 -6.235 -3.890 1.00 62.40 C ATOM 1141 CD1 LEU A 76 8.763 -6.048 -5.359 1.00 63.21 C ATOM 1142 CD2 LEU A 76 8.459 -5.213 -2.983 1.00 64.10 C ATOM 0 H LEU A 76 10.930 -9.568 -3.273 1.00 23.25 H new ATOM 0 HA LEU A 76 9.876 -7.328 -1.614 1.00 62.30 H new ATOM 0 HB2 LEU A 76 8.983 -8.334 -4.275 1.00 54.12 H new ATOM 0 HB3 LEU A 76 7.811 -7.722 -3.125 1.00 54.12 H new ATOM 0 HG LEU A 76 10.220 -6.062 -3.813 1.00 62.40 H new ATOM 0 HD11 LEU A 76 8.979 -5.024 -5.664 1.00 63.21 H new ATOM 0 HD12 LEU A 76 9.337 -6.739 -5.976 1.00 63.21 H new ATOM 0 HD13 LEU A 76 7.699 -6.247 -5.485 1.00 63.21 H new ATOM 0 HD21 LEU A 76 8.681 -4.206 -3.336 1.00 64.10 H new ATOM 0 HD22 LEU A 76 7.381 -5.375 -3.004 1.00 64.10 H new ATOM 0 HD23 LEU A 76 8.823 -5.329 -1.962 1.00 64.10 H new ATOM 1154 N LYS A 77 8.479 -10.246 -2.138 1.00 45.42 N ATOM 1155 CA LYS A 77 7.799 -11.346 -1.477 1.00 74.14 C ATOM 1156 C LYS A 77 8.769 -12.038 -0.518 1.00 61.33 C ATOM 1157 O LYS A 77 8.347 -12.766 0.380 1.00 44.35 O ATOM 1158 CB LYS A 77 7.177 -12.289 -2.510 1.00 10.23 C ATOM 1159 CG LYS A 77 8.193 -13.329 -2.984 1.00 64.42 C ATOM 1160 CD LYS A 77 9.291 -12.679 -3.829 1.00 55.20 C ATOM 1161 CE LYS A 77 8.749 -12.248 -5.194 1.00 30.53 C ATOM 1162 NZ LYS A 77 9.858 -12.057 -6.155 1.00 22.33 N ATOM 0 H LYS A 77 8.483 -10.297 -3.157 1.00 45.42 H new ATOM 0 HA LYS A 77 6.968 -10.975 -0.877 1.00 74.14 H new ATOM 0 HB2 LYS A 77 6.313 -12.791 -2.075 1.00 10.23 H new ATOM 0 HB3 LYS A 77 6.816 -11.713 -3.362 1.00 10.23 H new ATOM 0 HG2 LYS A 77 8.639 -13.826 -2.122 1.00 64.42 H new ATOM 0 HG3 LYS A 77 7.687 -14.097 -3.568 1.00 64.42 H new ATOM 0 HD2 LYS A 77 9.695 -11.813 -3.304 1.00 55.20 H new ATOM 0 HD3 LYS A 77 10.114 -13.381 -3.965 1.00 55.20 H new ATOM 0 HE2 LYS A 77 8.058 -13.002 -5.572 1.00 30.53 H new ATOM 0 HE3 LYS A 77 8.185 -11.321 -5.092 1.00 30.53 H new ATOM 0 HZ1 LYS A 77 9.473 -11.765 -7.076 1.00 22.33 H new ATOM 0 HZ2 LYS A 77 10.502 -11.322 -5.800 1.00 22.33 H new ATOM 0 HZ3 LYS A 77 10.379 -12.950 -6.265 1.00 22.33 H new ATOM 1175 N SER A 78 10.051 -11.788 -0.741 1.00 51.41 N ATOM 1176 CA SER A 78 11.085 -12.378 0.092 1.00 12.41 C ATOM 1177 C SER A 78 11.145 -13.889 -0.140 1.00 43.44 C ATOM 1178 O SER A 78 11.362 -14.656 0.796 1.00 30.20 O ATOM 1179 CB SER A 78 10.837 -12.078 1.572 1.00 43.32 C ATOM 1180 OG SER A 78 12.042 -12.112 2.332 1.00 21.23 O ATOM 0 H SER A 78 10.397 -11.185 -1.487 1.00 51.41 H new ATOM 0 HA SER A 78 12.042 -11.936 -0.186 1.00 12.41 H new ATOM 0 HB2 SER A 78 10.374 -11.096 1.670 1.00 43.32 H new ATOM 0 HB3 SER A 78 10.133 -12.805 1.976 1.00 43.32 H new ATOM 0 HG SER A 78 11.842 -11.914 3.271 1.00 21.23 H new ATOM 1186 N ASN A 79 10.950 -14.270 -1.394 1.00 32.41 N ATOM 1187 CA ASN A 79 10.979 -15.676 -1.761 1.00 43.14 C ATOM 1188 C ASN A 79 11.924 -15.868 -2.950 1.00 31.24 C ATOM 1189 O ASN A 79 11.531 -16.418 -3.977 1.00 55.22 O ATOM 1190 CB ASN A 79 9.591 -16.166 -2.177 1.00 51.21 C ATOM 1191 CG ASN A 79 8.610 -16.094 -1.005 1.00 23.12 C ATOM 1192 OD1 ASN A 79 7.568 -15.464 -1.072 1.00 13.04 O ATOM 1193 ND2 ASN A 79 9.001 -16.773 0.070 1.00 44.02 N ATOM 0 H ASN A 79 10.771 -13.630 -2.168 1.00 32.41 H new ATOM 0 HA ASN A 79 11.317 -16.244 -0.894 1.00 43.14 H new ATOM 0 HB2 ASN A 79 9.220 -15.560 -3.004 1.00 51.21 H new ATOM 0 HB3 ASN A 79 9.657 -17.192 -2.538 1.00 51.21 H new ATOM 0 HD21 ASN A 79 8.416 -16.787 0.905 1.00 44.02 H new ATOM 0 HD22 ASN A 79 9.886 -17.280 0.059 1.00 44.02 H new ATOM 1200 N ASP A 80 13.152 -15.405 -2.769 1.00 51.33 N ATOM 1201 CA ASP A 80 14.156 -15.519 -3.814 1.00 13.33 C ATOM 1202 C ASP A 80 15.170 -16.596 -3.425 1.00 31.31 C ATOM 1203 O ASP A 80 15.208 -17.032 -2.275 1.00 74.44 O ATOM 1204 CB ASP A 80 14.912 -14.202 -3.997 1.00 1.53 C ATOM 1205 CG ASP A 80 15.916 -14.188 -5.151 1.00 3.50 C ATOM 1206 OD1 ASP A 80 15.741 -14.889 -6.158 1.00 64.22 O ATOM 1207 OD2 ASP A 80 16.928 -13.404 -4.984 1.00 73.22 O ATOM 0 H ASP A 80 13.475 -14.950 -1.915 1.00 51.33 H new ATOM 0 HA ASP A 80 13.648 -15.775 -4.744 1.00 13.33 H new ATOM 0 HB2 ASP A 80 14.187 -13.404 -4.156 1.00 1.53 H new ATOM 0 HB3 ASP A 80 15.441 -13.973 -3.072 1.00 1.53 H new ATOM 1213 N SER A 81 15.967 -16.995 -4.405 1.00 42.42 N ATOM 1214 CA SER A 81 16.979 -18.013 -4.180 1.00 10.11 C ATOM 1215 C SER A 81 18.213 -17.389 -3.525 1.00 51.42 C ATOM 1216 O SER A 81 18.992 -18.082 -2.873 1.00 33.02 O ATOM 1217 CB SER A 81 17.365 -18.704 -5.489 1.00 22.52 C ATOM 1218 OG SER A 81 17.511 -17.776 -6.560 1.00 70.23 O ATOM 0 H SER A 81 15.932 -16.631 -5.357 1.00 42.42 H new ATOM 0 HA SER A 81 16.563 -18.767 -3.511 1.00 10.11 H new ATOM 0 HB2 SER A 81 18.300 -19.247 -5.350 1.00 22.52 H new ATOM 0 HB3 SER A 81 16.604 -19.440 -5.748 1.00 22.52 H new ATOM 0 HG SER A 81 17.759 -18.256 -7.377 1.00 70.23 H new ATOM 1224 N GLU A 82 18.353 -16.086 -3.722 1.00 54.12 N ATOM 1225 CA GLU A 82 19.479 -15.360 -3.159 1.00 75.31 C ATOM 1226 C GLU A 82 19.375 -15.321 -1.633 1.00 40.01 C ATOM 1227 O GLU A 82 20.126 -16.004 -0.939 1.00 33.54 O ATOM 1228 CB GLU A 82 19.566 -13.947 -3.739 1.00 73.33 C ATOM 1229 CG GLU A 82 20.955 -13.346 -3.513 1.00 75.53 C ATOM 1230 CD GLU A 82 22.050 -14.303 -3.989 1.00 32.22 C ATOM 1231 OE1 GLU A 82 22.719 -14.940 -3.161 1.00 40.34 O ATOM 1232 OE2 GLU A 82 22.194 -14.374 -5.269 1.00 31.02 O ATOM 0 H GLU A 82 17.705 -15.514 -4.264 1.00 54.12 H new ATOM 0 HA GLU A 82 20.396 -15.884 -3.428 1.00 75.31 H new ATOM 0 HB2 GLU A 82 19.347 -13.974 -4.806 1.00 73.33 H new ATOM 0 HB3 GLU A 82 18.811 -13.312 -3.275 1.00 73.33 H new ATOM 0 HG2 GLU A 82 21.037 -12.399 -4.047 1.00 75.53 H new ATOM 0 HG3 GLU A 82 21.093 -13.128 -2.454 1.00 75.53 H new ATOM 1240 N GLN A 83 18.439 -14.514 -1.156 1.00 32.01 N ATOM 1241 CA GLN A 83 18.227 -14.377 0.275 1.00 4.41 C ATOM 1242 C GLN A 83 19.570 -14.331 1.008 1.00 53.31 C ATOM 1243 O GLN A 83 19.662 -14.732 2.167 1.00 61.00 O ATOM 1244 CB GLN A 83 17.349 -15.509 0.811 1.00 53.23 C ATOM 1245 CG GLN A 83 15.948 -15.453 0.197 1.00 64.53 C ATOM 1246 CD GLN A 83 15.019 -14.569 1.030 1.00 32.01 C ATOM 1247 OE1 GLN A 83 14.416 -14.998 2.000 1.00 22.22 O ATOM 1248 NE2 GLN A 83 14.937 -13.313 0.599 1.00 33.42 N ATOM 0 H GLN A 83 17.819 -13.948 -1.735 1.00 32.01 H new ATOM 0 HA GLN A 83 17.703 -13.439 0.456 1.00 4.41 H new ATOM 0 HB2 GLN A 83 17.811 -16.470 0.586 1.00 53.23 H new ATOM 0 HB3 GLN A 83 17.278 -15.436 1.896 1.00 53.23 H new ATOM 0 HG2 GLN A 83 16.008 -15.066 -0.820 1.00 64.53 H new ATOM 0 HG3 GLN A 83 15.535 -16.460 0.131 1.00 64.53 H new ATOM 0 HE21 GLN A 83 15.469 -13.019 -0.220 1.00 33.42 H new ATOM 0 HE22 GLN A 83 14.342 -12.644 1.088 1.00 33.42 H new ATOM 1257 N GLU A 84 20.577 -13.838 0.302 1.00 73.12 N ATOM 1258 CA GLU A 84 21.910 -13.735 0.871 1.00 53.42 C ATOM 1259 C GLU A 84 22.161 -12.314 1.379 1.00 11.44 C ATOM 1260 O GLU A 84 22.790 -12.125 2.420 1.00 54.14 O ATOM 1261 CB GLU A 84 22.974 -14.149 -0.147 1.00 40.43 C ATOM 1262 CG GLU A 84 24.244 -14.635 0.554 1.00 11.00 C ATOM 1263 CD GLU A 84 25.275 -15.132 -0.461 1.00 41.44 C ATOM 1264 OE1 GLU A 84 26.422 -15.421 -0.089 1.00 50.02 O ATOM 1265 OE2 GLU A 84 24.848 -15.214 -1.676 1.00 45.40 O ATOM 0 H GLU A 84 20.497 -13.506 -0.659 1.00 73.12 H new ATOM 0 HA GLU A 84 21.977 -14.420 1.716 1.00 53.42 H new ATOM 0 HB2 GLU A 84 22.582 -14.940 -0.787 1.00 40.43 H new ATOM 0 HB3 GLU A 84 23.212 -13.304 -0.794 1.00 40.43 H new ATOM 0 HG2 GLU A 84 24.671 -13.824 1.144 1.00 11.00 H new ATOM 0 HG3 GLU A 84 23.996 -15.438 1.248 1.00 11.00 H new ATOM 1273 N LEU A 85 21.657 -11.350 0.622 1.00 35.51 N ATOM 1274 CA LEU A 85 21.818 -9.952 0.983 1.00 23.32 C ATOM 1275 C LEU A 85 20.627 -9.509 1.834 1.00 11.34 C ATOM 1276 O LEU A 85 20.803 -8.864 2.867 1.00 51.00 O ATOM 1277 CB LEU A 85 22.033 -9.097 -0.267 1.00 70.43 C ATOM 1278 CG LEU A 85 22.425 -7.639 -0.023 1.00 44.24 C ATOM 1279 CD1 LEU A 85 21.200 -6.793 0.329 1.00 23.12 C ATOM 1280 CD2 LEU A 85 23.519 -7.536 1.042 1.00 52.01 C ATOM 0 H LEU A 85 21.137 -11.510 -0.240 1.00 35.51 H new ATOM 0 HA LEU A 85 22.712 -9.816 1.591 1.00 23.32 H new ATOM 0 HB2 LEU A 85 22.809 -9.564 -0.874 1.00 70.43 H new ATOM 0 HB3 LEU A 85 21.116 -9.112 -0.856 1.00 70.43 H new ATOM 0 HG LEU A 85 22.838 -7.237 -0.948 1.00 44.24 H new ATOM 0 HD11 LEU A 85 21.507 -5.761 0.498 1.00 23.12 H new ATOM 0 HD12 LEU A 85 20.484 -6.829 -0.492 1.00 23.12 H new ATOM 0 HD13 LEU A 85 20.735 -7.185 1.233 1.00 23.12 H new ATOM 0 HD21 LEU A 85 23.779 -6.489 1.196 1.00 52.01 H new ATOM 0 HD22 LEU A 85 23.157 -7.962 1.978 1.00 52.01 H new ATOM 0 HD23 LEU A 85 24.401 -8.084 0.712 1.00 52.01 H new ATOM 1292 N LEU A 86 19.441 -9.872 1.369 1.00 15.25 N ATOM 1293 CA LEU A 86 18.220 -9.519 2.075 1.00 23.32 C ATOM 1294 C LEU A 86 18.401 -9.799 3.569 1.00 41.55 C ATOM 1295 O LEU A 86 18.325 -8.885 4.388 1.00 5.52 O ATOM 1296 CB LEU A 86 17.018 -10.235 1.457 1.00 72.32 C ATOM 1297 CG LEU A 86 15.672 -10.004 2.147 1.00 71.03 C ATOM 1298 CD1 LEU A 86 15.665 -10.608 3.552 1.00 21.51 C ATOM 1299 CD2 LEU A 86 15.311 -8.517 2.160 1.00 22.25 C ATOM 0 H LEU A 86 19.299 -10.407 0.512 1.00 15.25 H new ATOM 0 HA LEU A 86 18.015 -8.453 1.972 1.00 23.32 H new ATOM 0 HB2 LEU A 86 16.929 -9.922 0.417 1.00 72.32 H new ATOM 0 HB3 LEU A 86 17.222 -11.306 1.451 1.00 72.32 H new ATOM 0 HG LEU A 86 14.901 -10.518 1.573 1.00 71.03 H new ATOM 0 HD11 LEU A 86 14.697 -10.430 4.020 1.00 21.51 H new ATOM 0 HD12 LEU A 86 15.845 -11.681 3.488 1.00 21.51 H new ATOM 0 HD13 LEU A 86 16.449 -10.144 4.151 1.00 21.51 H new ATOM 0 HD21 LEU A 86 14.350 -8.380 2.656 1.00 22.25 H new ATOM 0 HD22 LEU A 86 16.079 -7.961 2.697 1.00 22.25 H new ATOM 0 HD23 LEU A 86 15.246 -8.149 1.136 1.00 22.25 H new ATOM 1311 N GLU A 87 18.637 -11.065 3.877 1.00 75.42 N ATOM 1312 CA GLU A 87 18.829 -11.476 5.257 1.00 33.52 C ATOM 1313 C GLU A 87 20.002 -10.717 5.879 1.00 43.22 C ATOM 1314 O GLU A 87 19.952 -10.340 7.048 1.00 4.45 O ATOM 1315 CB GLU A 87 19.041 -12.988 5.354 1.00 23.54 C ATOM 1316 CG GLU A 87 20.256 -13.425 4.533 1.00 31.40 C ATOM 1317 CD GLU A 87 21.556 -13.170 5.298 1.00 31.35 C ATOM 1318 OE1 GLU A 87 21.516 -12.781 6.475 1.00 24.42 O ATOM 1319 OE2 GLU A 87 22.636 -13.391 4.628 1.00 33.31 O ATOM 0 H GLU A 87 18.700 -11.820 3.194 1.00 75.42 H new ATOM 0 HA GLU A 87 17.926 -11.232 5.817 1.00 33.52 H new ATOM 0 HB2 GLU A 87 19.181 -13.273 6.397 1.00 23.54 H new ATOM 0 HB3 GLU A 87 18.151 -13.507 4.998 1.00 23.54 H new ATOM 0 HG2 GLU A 87 20.174 -14.485 4.292 1.00 31.40 H new ATOM 0 HG3 GLU A 87 20.274 -12.883 3.587 1.00 31.40 H new ATOM 1327 N ALA A 88 21.031 -10.515 5.068 1.00 11.24 N ATOM 1328 CA ALA A 88 22.215 -9.807 5.524 1.00 1.12 C ATOM 1329 C ALA A 88 21.881 -8.324 5.701 1.00 62.31 C ATOM 1330 O ALA A 88 22.664 -7.573 6.280 1.00 0.21 O ATOM 1331 CB ALA A 88 23.358 -10.033 4.533 1.00 64.00 C ATOM 0 H ALA A 88 21.069 -10.829 4.098 1.00 11.24 H new ATOM 0 HA ALA A 88 22.542 -10.189 6.491 1.00 1.12 H new ATOM 0 HB1 ALA A 88 24.246 -9.502 4.875 1.00 64.00 H new ATOM 0 HB2 ALA A 88 23.576 -11.099 4.466 1.00 64.00 H new ATOM 0 HB3 ALA A 88 23.067 -9.659 3.551 1.00 64.00 H new ATOM 1337 N PHE A 89 20.718 -7.948 5.191 1.00 12.31 N ATOM 1338 CA PHE A 89 20.271 -6.568 5.285 1.00 33.43 C ATOM 1339 C PHE A 89 19.012 -6.458 6.148 1.00 11.30 C ATOM 1340 O PHE A 89 18.473 -5.367 6.330 1.00 45.24 O ATOM 1341 CB PHE A 89 19.943 -6.107 3.864 1.00 12.51 C ATOM 1342 CG PHE A 89 20.223 -4.624 3.611 1.00 11.35 C ATOM 1343 CD1 PHE A 89 19.351 -3.681 4.059 1.00 33.00 C ATOM 1344 CD2 PHE A 89 21.344 -4.248 2.939 1.00 22.35 C ATOM 1345 CE1 PHE A 89 19.611 -2.305 3.825 1.00 52.23 C ATOM 1346 CE2 PHE A 89 21.604 -2.872 2.705 1.00 22.21 C ATOM 1347 CZ PHE A 89 20.732 -1.929 3.153 1.00 61.53 C ATOM 0 H PHE A 89 20.071 -8.574 4.711 1.00 12.31 H new ATOM 0 HA PHE A 89 21.048 -5.955 5.742 1.00 33.43 H new ATOM 0 HB2 PHE A 89 20.522 -6.701 3.157 1.00 12.51 H new ATOM 0 HB3 PHE A 89 18.891 -6.307 3.662 1.00 12.51 H new ATOM 0 HD1 PHE A 89 18.461 -3.979 4.593 1.00 33.00 H new ATOM 0 HD2 PHE A 89 22.037 -4.996 2.583 1.00 22.35 H new ATOM 0 HE1 PHE A 89 18.918 -1.557 4.181 1.00 52.23 H new ATOM 0 HE2 PHE A 89 22.494 -2.574 2.171 1.00 22.21 H new ATOM 0 HZ PHE A 89 20.930 -0.882 2.975 1.00 61.53 H new ATOM 1357 N LYS A 90 18.579 -7.602 6.657 1.00 44.02 N ATOM 1358 CA LYS A 90 17.394 -7.647 7.496 1.00 20.30 C ATOM 1359 C LYS A 90 17.701 -6.986 8.841 1.00 23.32 C ATOM 1360 O LYS A 90 16.790 -6.673 9.605 1.00 12.53 O ATOM 1361 CB LYS A 90 16.880 -9.083 7.620 1.00 54.15 C ATOM 1362 CG LYS A 90 15.421 -9.105 8.081 1.00 1.13 C ATOM 1363 CD LYS A 90 14.972 -10.530 8.412 1.00 51.35 C ATOM 1364 CE LYS A 90 13.634 -10.525 9.155 1.00 45.44 C ATOM 1365 NZ LYS A 90 13.854 -10.436 10.616 1.00 54.44 N ATOM 0 H LYS A 90 19.028 -8.505 6.504 1.00 44.02 H new ATOM 0 HA LYS A 90 16.582 -7.080 7.040 1.00 20.30 H new ATOM 0 HB2 LYS A 90 16.969 -9.589 6.659 1.00 54.15 H new ATOM 0 HB3 LYS A 90 17.498 -9.634 8.329 1.00 54.15 H new ATOM 0 HG2 LYS A 90 15.304 -8.470 8.959 1.00 1.13 H new ATOM 0 HG3 LYS A 90 14.783 -8.691 7.300 1.00 1.13 H new ATOM 0 HD2 LYS A 90 14.879 -11.109 7.493 1.00 51.35 H new ATOM 0 HD3 LYS A 90 15.729 -11.021 9.023 1.00 51.35 H new ATOM 0 HE2 LYS A 90 13.028 -9.683 8.820 1.00 45.44 H new ATOM 0 HE3 LYS A 90 13.077 -11.432 8.920 1.00 45.44 H new ATOM 0 HZ1 LYS A 90 13.204 -11.084 11.105 1.00 54.44 H new ATOM 0 HZ2 LYS A 90 14.836 -10.700 10.836 1.00 54.44 H new ATOM 0 HZ3 LYS A 90 13.677 -9.462 10.935 1.00 54.44 H new ATOM 1378 N VAL A 91 18.988 -6.794 9.090 1.00 64.33 N ATOM 1379 CA VAL A 91 19.427 -6.176 10.329 1.00 23.24 C ATOM 1380 C VAL A 91 18.486 -5.022 10.680 1.00 60.02 C ATOM 1381 O VAL A 91 18.288 -4.712 11.854 1.00 62.33 O ATOM 1382 CB VAL A 91 20.889 -5.740 10.208 1.00 72.01 C ATOM 1383 CG1 VAL A 91 20.993 -4.328 9.628 1.00 21.10 C ATOM 1384 CG2 VAL A 91 21.603 -5.833 11.558 1.00 15.41 C ATOM 0 H VAL A 91 19.741 -7.056 8.454 1.00 64.33 H new ATOM 0 HA VAL A 91 19.383 -6.892 11.149 1.00 23.24 H new ATOM 0 HB VAL A 91 21.387 -6.423 9.519 1.00 72.01 H new ATOM 0 HG11 VAL A 91 22.042 -4.042 9.552 1.00 21.10 H new ATOM 0 HG12 VAL A 91 20.539 -4.307 8.637 1.00 21.10 H new ATOM 0 HG13 VAL A 91 20.472 -3.627 10.281 1.00 21.10 H new ATOM 0 HG21 VAL A 91 22.640 -5.518 11.444 1.00 15.41 H new ATOM 0 HG22 VAL A 91 21.104 -5.185 12.279 1.00 15.41 H new ATOM 0 HG23 VAL A 91 21.574 -6.863 11.915 1.00 15.41 H new ATOM 1394 N PHE A 92 17.931 -4.417 9.640 1.00 33.02 N ATOM 1395 CA PHE A 92 17.015 -3.304 9.823 1.00 10.24 C ATOM 1396 C PHE A 92 15.628 -3.798 10.239 1.00 53.40 C ATOM 1397 O PHE A 92 15.070 -3.455 11.263 1.00 23.21 O ATOM 1398 CB PHE A 92 16.906 -2.588 8.476 1.00 51.13 C ATOM 1399 CG PHE A 92 18.125 -1.733 8.125 1.00 64.13 C ATOM 1400 CD1 PHE A 92 19.273 -1.858 8.844 1.00 51.40 C ATOM 1401 CD2 PHE A 92 18.062 -0.849 7.093 1.00 11.34 C ATOM 1402 CE1 PHE A 92 20.405 -1.064 8.518 1.00 33.32 C ATOM 1403 CE2 PHE A 92 19.194 -0.055 6.768 1.00 74.53 C ATOM 1404 CZ PHE A 92 20.341 -0.180 7.487 1.00 62.02 C ATOM 0 H PHE A 92 18.098 -4.677 8.668 1.00 33.02 H new ATOM 0 HA PHE A 92 17.385 -2.642 10.606 1.00 10.24 H new ATOM 0 HB2 PHE A 92 16.758 -3.331 7.692 1.00 51.13 H new ATOM 0 HB3 PHE A 92 16.020 -1.953 8.484 1.00 51.13 H new ATOM 0 HD1 PHE A 92 19.324 -2.561 9.663 1.00 51.40 H new ATOM 0 HD2 PHE A 92 17.151 -0.751 6.521 1.00 11.34 H new ATOM 0 HE1 PHE A 92 21.316 -1.163 9.089 1.00 33.32 H new ATOM 0 HE2 PHE A 92 19.144 0.648 5.950 1.00 74.53 H new ATOM 0 HZ PHE A 92 21.202 0.423 7.239 1.00 62.02 H new ATOM 1414 N ASP A 93 15.066 -4.629 9.406 1.00 61.24 N ATOM 1415 CA ASP A 93 13.716 -5.187 9.700 1.00 1.02 C ATOM 1416 C ASP A 93 13.715 -5.855 11.079 1.00 21.10 C ATOM 1417 O ASP A 93 14.103 -7.020 11.155 1.00 40.14 O ATOM 1418 CB ASP A 93 13.467 -6.221 8.602 1.00 21.50 C ATOM 1419 CG ASP A 93 11.981 -6.236 8.240 1.00 2.11 C ATOM 1420 OD1 ASP A 93 11.179 -5.903 9.097 1.00 11.43 O ATOM 1421 OD2 ASP A 93 11.668 -6.582 7.112 1.00 3.55 O ATOM 0 H ASP A 93 15.485 -4.947 8.532 1.00 61.24 H new ATOM 0 HA ASP A 93 12.943 -4.419 9.716 1.00 1.02 H new ATOM 0 HB2 ASP A 93 14.064 -5.983 7.722 1.00 21.50 H new ATOM 0 HB3 ASP A 93 13.779 -7.209 8.941 1.00 21.50 H new ATOM 1426 N LYS A 94 13.299 -5.134 12.110 1.00 24.20 N ATOM 1427 CA LYS A 94 13.273 -5.692 13.451 1.00 32.33 C ATOM 1428 C LYS A 94 11.902 -6.321 13.710 1.00 1.35 C ATOM 1429 O LYS A 94 11.774 -7.219 14.540 1.00 22.54 O ATOM 1430 CB LYS A 94 13.668 -4.632 14.481 1.00 53.31 C ATOM 1431 CG LYS A 94 15.181 -4.623 14.706 1.00 41.30 C ATOM 1432 CD LYS A 94 15.584 -5.647 15.769 1.00 75.33 C ATOM 1433 CE LYS A 94 15.747 -7.039 15.154 1.00 10.14 C ATOM 1434 NZ LYS A 94 16.658 -7.865 15.978 1.00 33.30 N ATOM 0 H LYS A 94 12.977 -4.168 12.043 1.00 24.20 H new ATOM 0 HA LYS A 94 14.013 -6.487 13.547 1.00 32.33 H new ATOM 0 HB2 LYS A 94 13.342 -3.649 14.140 1.00 53.31 H new ATOM 0 HB3 LYS A 94 13.158 -4.828 15.424 1.00 53.31 H new ATOM 0 HG2 LYS A 94 15.693 -4.845 13.770 1.00 41.30 H new ATOM 0 HG3 LYS A 94 15.500 -3.628 15.015 1.00 41.30 H new ATOM 0 HD2 LYS A 94 16.519 -5.341 16.238 1.00 75.33 H new ATOM 0 HD3 LYS A 94 14.829 -5.678 16.554 1.00 75.33 H new ATOM 0 HE2 LYS A 94 14.775 -7.525 15.077 1.00 10.14 H new ATOM 0 HE3 LYS A 94 16.141 -6.952 14.141 1.00 10.14 H new ATOM 0 HZ1 LYS A 94 16.267 -8.824 16.072 1.00 33.30 H new ATOM 0 HZ2 LYS A 94 17.591 -7.914 15.521 1.00 33.30 H new ATOM 0 HZ3 LYS A 94 16.757 -7.438 16.921 1.00 33.30 H new ATOM 1447 N ASN A 95 10.912 -5.823 12.985 1.00 53.22 N ATOM 1448 CA ASN A 95 9.555 -6.324 13.126 1.00 62.12 C ATOM 1449 C ASN A 95 9.484 -7.750 12.576 1.00 34.35 C ATOM 1450 O ASN A 95 8.534 -8.480 12.857 1.00 70.35 O ATOM 1451 CB ASN A 95 8.565 -5.464 12.338 1.00 44.21 C ATOM 1452 CG ASN A 95 8.472 -5.928 10.883 1.00 22.31 C ATOM 1453 OD1 ASN A 95 9.038 -5.337 9.978 1.00 13.01 O ATOM 1454 ND2 ASN A 95 7.729 -7.017 10.710 1.00 71.45 N ATOM 0 H ASN A 95 11.022 -5.077 12.298 1.00 53.22 H new ATOM 0 HA ASN A 95 9.293 -6.297 14.184 1.00 62.12 H new ATOM 0 HB2 ASN A 95 7.581 -5.517 12.804 1.00 44.21 H new ATOM 0 HB3 ASN A 95 8.878 -4.420 12.371 1.00 44.21 H new ATOM 0 HD21 ASN A 95 7.605 -7.407 9.776 1.00 71.45 H new ATOM 0 HD22 ASN A 95 7.283 -7.463 11.512 1.00 71.45 H new ATOM 1461 N GLY A 96 10.500 -8.105 11.804 1.00 2.42 N ATOM 1462 CA GLY A 96 10.564 -9.430 11.213 1.00 25.41 C ATOM 1463 C GLY A 96 9.656 -9.528 9.986 1.00 63.24 C ATOM 1464 O GLY A 96 8.724 -10.330 9.961 1.00 63.52 O ATOM 0 H GLY A 96 11.286 -7.497 11.574 1.00 2.42 H new ATOM 0 HA2 GLY A 96 11.592 -9.656 10.928 1.00 25.41 H new ATOM 0 HA3 GLY A 96 10.267 -10.176 11.950 1.00 25.41 H new ATOM 1468 N ASP A 97 9.960 -8.700 8.997 1.00 61.10 N ATOM 1469 CA ASP A 97 9.183 -8.683 7.769 1.00 32.14 C ATOM 1470 C ASP A 97 10.041 -9.215 6.620 1.00 42.00 C ATOM 1471 O ASP A 97 9.514 -9.670 5.606 1.00 22.10 O ATOM 1472 CB ASP A 97 8.746 -7.261 7.414 1.00 54.30 C ATOM 1473 CG ASP A 97 8.577 -6.991 5.917 1.00 11.14 C ATOM 1474 OD1 ASP A 97 9.025 -5.957 5.400 1.00 10.24 O ATOM 1475 OD2 ASP A 97 7.947 -7.909 5.266 1.00 55.43 O ATOM 0 H ASP A 97 10.734 -8.036 9.021 1.00 61.10 H new ATOM 0 HA ASP A 97 8.300 -9.304 7.920 1.00 32.14 H new ATOM 0 HB2 ASP A 97 7.801 -7.052 7.915 1.00 54.30 H new ATOM 0 HB3 ASP A 97 9.480 -6.561 7.814 1.00 54.30 H new ATOM 1481 N GLY A 98 11.349 -9.140 6.817 1.00 42.12 N ATOM 1482 CA GLY A 98 12.286 -9.608 5.809 1.00 33.13 C ATOM 1483 C GLY A 98 12.488 -8.556 4.717 1.00 2.54 C ATOM 1484 O GLY A 98 13.345 -8.714 3.849 1.00 53.31 O ATOM 0 H GLY A 98 11.782 -8.762 7.660 1.00 42.12 H new ATOM 0 HA2 GLY A 98 13.243 -9.840 6.277 1.00 33.13 H new ATOM 0 HA3 GLY A 98 11.916 -10.532 5.365 1.00 33.13 H new ATOM 1488 N LEU A 99 11.685 -7.505 4.797 1.00 4.51 N ATOM 1489 CA LEU A 99 11.766 -6.426 3.827 1.00 73.14 C ATOM 1490 C LEU A 99 11.861 -5.089 4.563 1.00 5.35 C ATOM 1491 O LEU A 99 11.145 -4.860 5.537 1.00 43.51 O ATOM 1492 CB LEU A 99 10.597 -6.503 2.842 1.00 63.51 C ATOM 1493 CG LEU A 99 10.805 -5.801 1.499 1.00 54.15 C ATOM 1494 CD1 LEU A 99 11.765 -6.592 0.609 1.00 43.03 C ATOM 1495 CD2 LEU A 99 9.466 -5.538 0.805 1.00 3.32 C ATOM 0 H LEU A 99 10.975 -7.378 5.518 1.00 4.51 H new ATOM 0 HA LEU A 99 12.669 -6.523 3.224 1.00 73.14 H new ATOM 0 HB2 LEU A 99 10.378 -7.553 2.650 1.00 63.51 H new ATOM 0 HB3 LEU A 99 9.716 -6.076 3.320 1.00 63.51 H new ATOM 0 HG LEU A 99 11.266 -4.832 1.688 1.00 54.15 H new ATOM 0 HD11 LEU A 99 11.895 -6.071 -0.339 1.00 43.03 H new ATOM 0 HD12 LEU A 99 12.730 -6.685 1.107 1.00 43.03 H new ATOM 0 HD13 LEU A 99 11.355 -7.585 0.424 1.00 43.03 H new ATOM 0 HD21 LEU A 99 9.642 -5.038 -0.148 1.00 3.32 H new ATOM 0 HD22 LEU A 99 8.955 -6.485 0.629 1.00 3.32 H new ATOM 0 HD23 LEU A 99 8.846 -4.904 1.439 1.00 3.32 H new ATOM 1507 N ILE A 100 12.752 -4.241 4.071 1.00 42.41 N ATOM 1508 CA ILE A 100 12.951 -2.932 4.670 1.00 10.05 C ATOM 1509 C ILE A 100 12.342 -1.862 3.762 1.00 1.11 C ATOM 1510 O ILE A 100 12.315 -2.020 2.543 1.00 52.04 O ATOM 1511 CB ILE A 100 14.432 -2.705 4.982 1.00 54.41 C ATOM 1512 CG1 ILE A 100 15.302 -3.011 3.761 1.00 30.55 C ATOM 1513 CG2 ILE A 100 14.863 -3.508 6.210 1.00 21.04 C ATOM 1514 CD1 ILE A 100 15.648 -4.500 3.695 1.00 31.42 C ATOM 0 H ILE A 100 13.345 -4.435 3.264 1.00 42.41 H new ATOM 0 HA ILE A 100 12.434 -2.869 5.628 1.00 10.05 H new ATOM 0 HB ILE A 100 14.574 -1.651 5.222 1.00 54.41 H new ATOM 0 HG12 ILE A 100 14.777 -2.715 2.853 1.00 30.55 H new ATOM 0 HG13 ILE A 100 16.218 -2.422 3.806 1.00 30.55 H new ATOM 0 HG21 ILE A 100 15.919 -3.329 6.410 1.00 21.04 H new ATOM 0 HG22 ILE A 100 14.273 -3.198 7.073 1.00 21.04 H new ATOM 0 HG23 ILE A 100 14.704 -4.570 6.024 1.00 21.04 H new ATOM 0 HD11 ILE A 100 16.267 -4.691 2.818 1.00 31.42 H new ATOM 0 HD12 ILE A 100 16.194 -4.787 4.594 1.00 31.42 H new ATOM 0 HD13 ILE A 100 14.730 -5.084 3.626 1.00 31.42 H new ATOM 1526 N SER A 101 11.869 -0.796 4.392 1.00 72.45 N ATOM 1527 CA SER A 101 11.262 0.300 3.655 1.00 21.43 C ATOM 1528 C SER A 101 12.159 1.537 3.726 1.00 51.22 C ATOM 1529 O SER A 101 13.309 1.451 4.154 1.00 13.54 O ATOM 1530 CB SER A 101 9.868 0.622 4.198 1.00 44.54 C ATOM 1531 OG SER A 101 9.919 1.536 5.291 1.00 62.54 O ATOM 0 H SER A 101 11.894 -0.668 5.404 1.00 72.45 H new ATOM 0 HA SER A 101 11.155 -0.004 2.614 1.00 21.43 H new ATOM 0 HB2 SER A 101 9.257 1.044 3.400 1.00 44.54 H new ATOM 0 HB3 SER A 101 9.382 -0.299 4.518 1.00 44.54 H new ATOM 0 HG SER A 101 9.010 1.718 5.608 1.00 62.54 H new ATOM 1537 N ALA A 102 11.599 2.659 3.298 1.00 0.45 N ATOM 1538 CA ALA A 102 12.334 3.913 3.308 1.00 73.03 C ATOM 1539 C ALA A 102 12.337 4.487 4.726 1.00 22.41 C ATOM 1540 O ALA A 102 13.381 4.900 5.230 1.00 74.41 O ATOM 1541 CB ALA A 102 11.715 4.875 2.291 1.00 21.23 C ATOM 0 H ALA A 102 10.645 2.726 2.942 1.00 0.45 H new ATOM 0 HA ALA A 102 13.372 3.752 3.016 1.00 73.03 H new ATOM 0 HB1 ALA A 102 12.266 5.816 2.298 1.00 21.23 H new ATOM 0 HB2 ALA A 102 11.764 4.433 1.296 1.00 21.23 H new ATOM 0 HB3 ALA A 102 10.674 5.062 2.554 1.00 21.23 H new ATOM 1547 N ALA A 103 11.158 4.494 5.330 1.00 70.10 N ATOM 1548 CA ALA A 103 11.012 5.010 6.680 1.00 11.14 C ATOM 1549 C ALA A 103 11.674 4.044 7.665 1.00 15.13 C ATOM 1550 O ALA A 103 11.911 4.395 8.820 1.00 12.11 O ATOM 1551 CB ALA A 103 9.529 5.229 6.986 1.00 52.13 C ATOM 0 H ALA A 103 10.295 4.150 4.909 1.00 70.10 H new ATOM 0 HA ALA A 103 11.511 5.974 6.778 1.00 11.14 H new ATOM 0 HB1 ALA A 103 9.420 5.616 7.999 1.00 52.13 H new ATOM 0 HB2 ALA A 103 9.113 5.945 6.277 1.00 52.13 H new ATOM 0 HB3 ALA A 103 8.996 4.282 6.900 1.00 52.13 H new ATOM 1557 N GLU A 104 11.953 2.846 7.173 1.00 53.33 N ATOM 1558 CA GLU A 104 12.582 1.827 7.995 1.00 3.11 C ATOM 1559 C GLU A 104 14.084 2.093 8.112 1.00 25.31 C ATOM 1560 O GLU A 104 14.577 2.428 9.188 1.00 0.51 O ATOM 1561 CB GLU A 104 12.315 0.429 7.435 1.00 32.53 C ATOM 1562 CG GLU A 104 12.329 -0.620 8.549 1.00 24.14 C ATOM 1563 CD GLU A 104 11.489 -1.839 8.166 1.00 74.44 C ATOM 1564 OE1 GLU A 104 11.280 -2.735 8.997 1.00 14.05 O ATOM 1565 OE2 GLU A 104 11.045 -1.836 6.954 1.00 32.34 O ATOM 0 H GLU A 104 11.755 2.558 6.215 1.00 53.33 H new ATOM 0 HA GLU A 104 12.146 1.872 8.993 1.00 3.11 H new ATOM 0 HB2 GLU A 104 11.350 0.414 6.929 1.00 32.53 H new ATOM 0 HB3 GLU A 104 13.070 0.182 6.689 1.00 32.53 H new ATOM 0 HG2 GLU A 104 13.355 -0.929 8.749 1.00 24.14 H new ATOM 0 HG3 GLU A 104 11.943 -0.183 9.470 1.00 24.14 H new ATOM 1573 N LEU A 105 14.771 1.932 6.990 1.00 14.32 N ATOM 1574 CA LEU A 105 16.207 2.151 6.953 1.00 33.44 C ATOM 1575 C LEU A 105 16.520 3.545 7.501 1.00 64.44 C ATOM 1576 O LEU A 105 17.646 3.813 7.918 1.00 31.42 O ATOM 1577 CB LEU A 105 16.750 1.907 5.544 1.00 31.41 C ATOM 1578 CG LEU A 105 16.036 2.648 4.412 1.00 12.43 C ATOM 1579 CD1 LEU A 105 16.712 3.990 4.124 1.00 61.02 C ATOM 1580 CD2 LEU A 105 15.938 1.775 3.160 1.00 22.31 C ATOM 0 H LEU A 105 14.359 1.652 6.100 1.00 14.32 H new ATOM 0 HA LEU A 105 16.719 1.434 7.595 1.00 33.44 H new ATOM 0 HB2 LEU A 105 17.803 2.188 5.528 1.00 31.41 H new ATOM 0 HB3 LEU A 105 16.703 0.838 5.338 1.00 31.41 H new ATOM 0 HG LEU A 105 15.017 2.863 4.734 1.00 12.43 H new ATOM 0 HD11 LEU A 105 16.185 4.497 3.315 1.00 61.02 H new ATOM 0 HD12 LEU A 105 16.685 4.611 5.020 1.00 61.02 H new ATOM 0 HD13 LEU A 105 17.748 3.820 3.831 1.00 61.02 H new ATOM 0 HD21 LEU A 105 15.426 2.326 2.371 1.00 22.31 H new ATOM 0 HD22 LEU A 105 16.940 1.507 2.824 1.00 22.31 H new ATOM 0 HD23 LEU A 105 15.378 0.869 3.391 1.00 22.31 H new ATOM 1592 N LYS A 106 15.505 4.395 7.481 1.00 41.54 N ATOM 1593 CA LYS A 106 15.658 5.755 7.970 1.00 44.24 C ATOM 1594 C LYS A 106 15.671 5.744 9.499 1.00 14.15 C ATOM 1595 O LYS A 106 16.580 6.292 10.121 1.00 52.55 O ATOM 1596 CB LYS A 106 14.584 6.665 7.370 1.00 61.42 C ATOM 1597 CG LYS A 106 14.871 8.134 7.686 1.00 53.05 C ATOM 1598 CD LYS A 106 13.594 8.973 7.599 1.00 71.40 C ATOM 1599 CE LYS A 106 13.921 10.466 7.547 1.00 5.23 C ATOM 1600 NZ LYS A 106 12.689 11.272 7.692 1.00 12.42 N ATOM 0 H LYS A 106 14.573 4.169 7.134 1.00 41.54 H new ATOM 0 HA LYS A 106 16.612 6.171 7.646 1.00 44.24 H new ATOM 0 HB2 LYS A 106 14.544 6.523 6.290 1.00 61.42 H new ATOM 0 HB3 LYS A 106 13.606 6.389 7.765 1.00 61.42 H new ATOM 0 HG2 LYS A 106 15.298 8.218 8.685 1.00 53.05 H new ATOM 0 HG3 LYS A 106 15.613 8.522 6.988 1.00 53.05 H new ATOM 0 HD2 LYS A 106 13.029 8.690 6.711 1.00 71.40 H new ATOM 0 HD3 LYS A 106 12.959 8.766 8.461 1.00 71.40 H new ATOM 0 HE2 LYS A 106 14.623 10.718 8.342 1.00 5.23 H new ATOM 0 HE3 LYS A 106 14.410 10.705 6.602 1.00 5.23 H new ATOM 0 HZ1 LYS A 106 12.588 11.902 6.871 1.00 12.42 H new ATOM 0 HZ2 LYS A 106 11.865 10.640 7.747 1.00 12.42 H new ATOM 0 HZ3 LYS A 106 12.747 11.841 8.560 1.00 12.42 H new ATOM 1613 N HIS A 107 14.651 5.114 10.063 1.00 33.50 N ATOM 1614 CA HIS A 107 14.533 5.024 11.508 1.00 33.25 C ATOM 1615 C HIS A 107 15.552 4.017 12.045 1.00 21.11 C ATOM 1616 O HIS A 107 15.830 3.988 13.243 1.00 72.40 O ATOM 1617 CB HIS A 107 13.097 4.688 11.916 1.00 12.44 C ATOM 1618 CG HIS A 107 12.142 5.854 11.816 1.00 74.34 C ATOM 1619 ND1 HIS A 107 10.910 5.871 12.447 1.00 24.33 N ATOM 1620 CD2 HIS A 107 12.250 7.040 11.152 1.00 43.32 C ATOM 1621 CE1 HIS A 107 10.313 7.020 12.169 1.00 61.05 C ATOM 1622 NE2 HIS A 107 11.145 7.743 11.365 1.00 12.21 N ATOM 0 H HIS A 107 13.898 4.661 9.545 1.00 33.50 H new ATOM 0 HA HIS A 107 14.760 5.992 11.955 1.00 33.25 H new ATOM 0 HB2 HIS A 107 12.731 3.877 11.286 1.00 12.44 H new ATOM 0 HB3 HIS A 107 13.098 4.319 12.942 1.00 12.44 H new ATOM 0 HD2 HIS A 107 13.093 7.354 10.554 1.00 43.32 H new ATOM 0 HE1 HIS A 107 9.339 7.330 12.517 1.00 61.05 H new ATOM 0 HE2 HIS A 107 10.950 8.671 10.990 1.00 12.21 H new ATOM 1630 N VAL A 108 16.082 3.216 11.132 1.00 12.11 N ATOM 1631 CA VAL A 108 17.065 2.210 11.498 1.00 15.43 C ATOM 1632 C VAL A 108 18.279 2.896 12.127 1.00 22.34 C ATOM 1633 O VAL A 108 19.066 2.256 12.824 1.00 50.04 O ATOM 1634 CB VAL A 108 17.423 1.360 10.278 1.00 42.32 C ATOM 1635 CG1 VAL A 108 18.592 1.976 9.506 1.00 71.55 C ATOM 1636 CG2 VAL A 108 17.734 -0.081 10.686 1.00 74.22 C ATOM 0 H VAL A 108 15.849 3.243 10.139 1.00 12.11 H new ATOM 0 HA VAL A 108 16.655 1.528 12.243 1.00 15.43 H new ATOM 0 HB VAL A 108 16.557 1.341 9.616 1.00 42.32 H new ATOM 0 HG11 VAL A 108 18.827 1.353 8.643 1.00 71.55 H new ATOM 0 HG12 VAL A 108 18.318 2.975 9.168 1.00 71.55 H new ATOM 0 HG13 VAL A 108 19.464 2.039 10.156 1.00 71.55 H new ATOM 0 HG21 VAL A 108 17.985 -0.664 9.800 1.00 74.22 H new ATOM 0 HG22 VAL A 108 18.577 -0.090 11.377 1.00 74.22 H new ATOM 0 HG23 VAL A 108 16.862 -0.518 11.172 1.00 74.22 H new ATOM 1646 N LEU A 109 18.394 4.188 11.859 1.00 10.25 N ATOM 1647 CA LEU A 109 19.500 4.967 12.391 1.00 55.34 C ATOM 1648 C LEU A 109 19.427 4.971 13.919 1.00 64.01 C ATOM 1649 O LEU A 109 20.438 5.168 14.591 1.00 4.41 O ATOM 1650 CB LEU A 109 19.515 6.367 11.772 1.00 34.32 C ATOM 1651 CG LEU A 109 20.005 6.456 10.326 1.00 72.54 C ATOM 1652 CD1 LEU A 109 19.325 7.609 9.586 1.00 15.21 C ATOM 1653 CD2 LEU A 109 21.530 6.559 10.269 1.00 63.30 C ATOM 0 H LEU A 109 17.740 4.715 11.281 1.00 10.25 H new ATOM 0 HA LEU A 109 20.452 4.512 12.119 1.00 55.34 H new ATOM 0 HB2 LEU A 109 18.505 6.774 11.818 1.00 34.32 H new ATOM 0 HB3 LEU A 109 20.145 7.008 12.388 1.00 34.32 H new ATOM 0 HG LEU A 109 19.725 5.535 9.814 1.00 72.54 H new ATOM 0 HD11 LEU A 109 19.692 7.650 8.560 1.00 15.21 H new ATOM 0 HD12 LEU A 109 18.246 7.452 9.580 1.00 15.21 H new ATOM 0 HD13 LEU A 109 19.552 8.549 10.090 1.00 15.21 H new ATOM 0 HD21 LEU A 109 21.852 6.621 9.229 1.00 63.30 H new ATOM 0 HD22 LEU A 109 21.855 7.452 10.803 1.00 63.30 H new ATOM 0 HD23 LEU A 109 21.972 5.678 10.734 1.00 63.30 H new ATOM 1665 N THR A 110 18.222 4.750 14.423 1.00 2.30 N ATOM 1666 CA THR A 110 18.005 4.726 15.860 1.00 71.34 C ATOM 1667 C THR A 110 17.771 3.292 16.339 1.00 25.21 C ATOM 1668 O THR A 110 17.674 3.043 17.540 1.00 51.03 O ATOM 1669 CB THR A 110 16.844 5.670 16.178 1.00 32.33 C ATOM 1670 OG1 THR A 110 17.475 6.919 16.446 1.00 23.44 O ATOM 1671 CG2 THR A 110 16.145 5.316 17.493 1.00 62.33 C ATOM 0 H THR A 110 17.386 4.586 13.862 1.00 2.30 H new ATOM 0 HA THR A 110 18.885 5.076 16.400 1.00 71.34 H new ATOM 0 HB THR A 110 16.121 5.643 15.363 1.00 32.33 H new ATOM 0 HG1 THR A 110 16.794 7.590 16.660 1.00 23.44 H new ATOM 0 HG21 THR A 110 15.329 6.016 17.671 1.00 62.33 H new ATOM 0 HG22 THR A 110 15.747 4.303 17.432 1.00 62.33 H new ATOM 0 HG23 THR A 110 16.861 5.376 18.313 1.00 62.33 H new ATOM 1679 N SER A 111 17.689 2.386 15.376 1.00 73.21 N ATOM 1680 CA SER A 111 17.469 0.983 15.685 1.00 55.24 C ATOM 1681 C SER A 111 18.759 0.355 16.214 1.00 2.25 C ATOM 1682 O SER A 111 18.783 -0.825 16.560 1.00 64.24 O ATOM 1683 CB SER A 111 16.973 0.220 14.455 1.00 73.21 C ATOM 1684 OG SER A 111 16.624 -1.126 14.767 1.00 34.20 O ATOM 0 H SER A 111 17.771 2.596 14.381 1.00 73.21 H new ATOM 0 HA SER A 111 16.699 0.919 16.454 1.00 55.24 H new ATOM 0 HB2 SER A 111 16.106 0.731 14.036 1.00 73.21 H new ATOM 0 HB3 SER A 111 17.748 0.225 13.688 1.00 73.21 H new ATOM 0 HG SER A 111 17.225 -1.467 15.461 1.00 34.20 H new ATOM 1690 N ILE A 112 19.801 1.172 16.262 1.00 11.42 N ATOM 1691 CA ILE A 112 21.092 0.712 16.744 1.00 20.11 C ATOM 1692 C ILE A 112 20.891 -0.121 18.011 1.00 32.44 C ATOM 1693 O ILE A 112 19.811 -0.110 18.601 1.00 24.41 O ATOM 1694 CB ILE A 112 22.047 1.893 16.930 1.00 70.33 C ATOM 1695 CG1 ILE A 112 21.952 2.865 15.752 1.00 14.45 C ATOM 1696 CG2 ILE A 112 23.480 1.408 17.158 1.00 2.22 C ATOM 1697 CD1 ILE A 112 21.752 2.113 14.435 1.00 42.51 C ATOM 0 H ILE A 112 19.777 2.150 15.975 1.00 11.42 H new ATOM 0 HA ILE A 112 21.564 0.063 16.007 1.00 20.11 H new ATOM 0 HB ILE A 112 21.745 2.439 17.824 1.00 70.33 H new ATOM 0 HG12 ILE A 112 21.123 3.554 15.911 1.00 14.45 H new ATOM 0 HG13 ILE A 112 22.860 3.466 15.698 1.00 14.45 H new ATOM 0 HG21 ILE A 112 24.139 2.267 17.287 1.00 2.22 H new ATOM 0 HG22 ILE A 112 23.516 0.786 18.052 1.00 2.22 H new ATOM 0 HG23 ILE A 112 23.808 0.825 16.297 1.00 2.22 H new ATOM 0 HD11 ILE A 112 21.688 2.827 13.614 1.00 42.51 H new ATOM 0 HD12 ILE A 112 22.595 1.442 14.267 1.00 42.51 H new ATOM 0 HD13 ILE A 112 20.831 1.533 14.484 1.00 42.51 H new ATOM 1709 N GLY A 113 21.947 -0.824 18.393 1.00 22.20 N ATOM 1710 CA GLY A 113 21.900 -1.662 19.580 1.00 42.44 C ATOM 1711 C GLY A 113 23.173 -2.501 19.709 1.00 74.31 C ATOM 1712 O GLY A 113 24.117 -2.327 18.940 1.00 53.30 O ATOM 0 H GLY A 113 22.841 -0.831 17.902 1.00 22.20 H new ATOM 0 HA2 GLY A 113 21.780 -1.038 20.466 1.00 42.44 H new ATOM 0 HA3 GLY A 113 21.031 -2.318 19.532 1.00 42.44 H new ATOM 1716 N GLU A 114 23.157 -3.395 20.687 1.00 11.32 N ATOM 1717 CA GLU A 114 24.298 -4.262 20.927 1.00 12.01 C ATOM 1718 C GLU A 114 24.161 -5.555 20.121 1.00 54.15 C ATOM 1719 O GLU A 114 24.872 -5.755 19.137 1.00 35.50 O ATOM 1720 CB GLU A 114 24.455 -4.561 22.419 1.00 2.23 C ATOM 1721 CG GLU A 114 24.376 -3.276 23.247 1.00 34.40 C ATOM 1722 CD GLU A 114 22.927 -2.953 23.619 1.00 42.31 C ATOM 1723 OE1 GLU A 114 22.362 -1.971 23.114 1.00 60.44 O ATOM 1724 OE2 GLU A 114 22.387 -3.763 24.465 1.00 62.44 O ATOM 0 H GLU A 114 22.372 -3.538 21.322 1.00 11.32 H new ATOM 0 HA GLU A 114 25.199 -3.744 20.597 1.00 12.01 H new ATOM 0 HB2 GLU A 114 23.676 -5.253 22.739 1.00 2.23 H new ATOM 0 HB3 GLU A 114 25.411 -5.054 22.596 1.00 2.23 H new ATOM 0 HG2 GLU A 114 24.972 -3.385 24.153 1.00 34.40 H new ATOM 0 HG3 GLU A 114 24.804 -2.448 22.682 1.00 34.40 H new ATOM 1732 N LYS A 115 23.242 -6.398 20.567 1.00 74.42 N ATOM 1733 CA LYS A 115 23.002 -7.666 19.899 1.00 61.42 C ATOM 1734 C LYS A 115 22.422 -7.403 18.508 1.00 61.44 C ATOM 1735 O LYS A 115 21.246 -7.068 18.375 1.00 62.14 O ATOM 1736 CB LYS A 115 22.129 -8.573 20.768 1.00 74.31 C ATOM 1737 CG LYS A 115 21.362 -9.582 19.910 1.00 24.41 C ATOM 1738 CD LYS A 115 22.323 -10.443 19.087 1.00 32.53 C ATOM 1739 CE LYS A 115 22.812 -11.646 19.897 1.00 11.10 C ATOM 1740 NZ LYS A 115 23.655 -12.527 19.058 1.00 32.34 N ATOM 0 H LYS A 115 22.654 -6.228 21.383 1.00 74.42 H new ATOM 0 HA LYS A 115 23.939 -8.205 19.757 1.00 61.42 H new ATOM 0 HB2 LYS A 115 22.753 -9.103 21.488 1.00 74.31 H new ATOM 0 HB3 LYS A 115 21.426 -7.968 21.340 1.00 74.31 H new ATOM 0 HG2 LYS A 115 20.753 -10.220 20.550 1.00 24.41 H new ATOM 0 HG3 LYS A 115 20.679 -9.054 19.244 1.00 24.41 H new ATOM 0 HD2 LYS A 115 21.823 -10.788 18.182 1.00 32.53 H new ATOM 0 HD3 LYS A 115 23.176 -9.842 18.771 1.00 32.53 H new ATOM 0 HE2 LYS A 115 23.381 -11.303 20.761 1.00 11.10 H new ATOM 0 HE3 LYS A 115 21.958 -12.206 20.279 1.00 11.10 H new ATOM 0 HZ1 LYS A 115 23.979 -13.338 19.623 1.00 32.34 H new ATOM 0 HZ2 LYS A 115 23.101 -12.869 18.247 1.00 32.34 H new ATOM 0 HZ3 LYS A 115 24.479 -11.994 18.714 1.00 32.34 H new ATOM 1753 N LEU A 116 23.274 -7.566 17.506 1.00 41.40 N ATOM 1754 CA LEU A 116 22.861 -7.350 16.130 1.00 51.13 C ATOM 1755 C LEU A 116 23.704 -8.230 15.205 1.00 43.22 C ATOM 1756 O LEU A 116 24.932 -8.217 15.279 1.00 30.14 O ATOM 1757 CB LEU A 116 22.916 -5.861 15.781 1.00 72.22 C ATOM 1758 CG LEU A 116 21.622 -5.073 15.998 1.00 23.31 C ATOM 1759 CD1 LEU A 116 21.910 -3.579 16.153 1.00 3.22 C ATOM 1760 CD2 LEU A 116 20.617 -5.350 14.878 1.00 20.24 C ATOM 0 H LEU A 116 24.248 -7.845 17.620 1.00 41.40 H new ATOM 0 HA LEU A 116 21.821 -7.647 15.993 1.00 51.13 H new ATOM 0 HB2 LEU A 116 23.704 -5.398 16.375 1.00 72.22 H new ATOM 0 HB3 LEU A 116 23.206 -5.764 14.735 1.00 72.22 H new ATOM 0 HG LEU A 116 21.168 -5.412 16.929 1.00 23.31 H new ATOM 0 HD11 LEU A 116 20.974 -3.042 16.306 1.00 3.22 H new ATOM 0 HD12 LEU A 116 22.563 -3.421 17.011 1.00 3.22 H new ATOM 0 HD13 LEU A 116 22.399 -3.207 15.252 1.00 3.22 H new ATOM 0 HD21 LEU A 116 19.707 -4.778 15.056 1.00 20.24 H new ATOM 0 HD22 LEU A 116 21.049 -5.056 13.921 1.00 20.24 H new ATOM 0 HD23 LEU A 116 20.379 -6.414 14.858 1.00 20.24 H new ATOM 1772 N THR A 117 23.012 -8.973 14.354 1.00 12.11 N ATOM 1773 CA THR A 117 23.682 -9.857 13.416 1.00 73.23 C ATOM 1774 C THR A 117 22.890 -9.947 12.109 1.00 2.15 C ATOM 1775 O THR A 117 21.749 -9.493 12.038 1.00 2.24 O ATOM 1776 CB THR A 117 23.879 -11.211 14.101 1.00 44.05 C ATOM 1777 OG1 THR A 117 22.663 -11.421 14.812 1.00 0.14 O ATOM 1778 CG2 THR A 117 24.948 -11.163 15.195 1.00 71.34 C ATOM 0 H THR A 117 21.994 -8.981 14.295 1.00 12.11 H new ATOM 0 HA THR A 117 24.663 -9.470 13.139 1.00 73.23 H new ATOM 0 HB THR A 117 24.155 -11.958 13.356 1.00 44.05 H new ATOM 0 HG1 THR A 117 22.704 -12.279 15.284 1.00 0.14 H new ATOM 0 HG21 THR A 117 25.048 -12.149 15.649 1.00 71.34 H new ATOM 0 HG22 THR A 117 25.902 -10.865 14.759 1.00 71.34 H new ATOM 0 HG23 THR A 117 24.656 -10.440 15.957 1.00 71.34 H new ATOM 1786 N ASP A 118 23.527 -10.536 11.108 1.00 3.41 N ATOM 1787 CA ASP A 118 22.897 -10.691 9.808 1.00 1.31 C ATOM 1788 C ASP A 118 22.258 -12.078 9.718 1.00 13.23 C ATOM 1789 O ASP A 118 21.441 -12.333 8.835 1.00 54.41 O ATOM 1790 CB ASP A 118 23.924 -10.569 8.680 1.00 33.43 C ATOM 1791 CG ASP A 118 24.151 -9.148 8.163 1.00 42.40 C ATOM 1792 OD1 ASP A 118 24.590 -8.946 7.021 1.00 72.12 O ATOM 1793 OD2 ASP A 118 23.854 -8.210 8.998 1.00 42.25 O ATOM 0 H ASP A 118 24.473 -10.912 11.171 1.00 3.41 H new ATOM 0 HA ASP A 118 22.148 -9.906 9.700 1.00 1.31 H new ATOM 0 HB2 ASP A 118 24.876 -10.968 9.031 1.00 33.43 H new ATOM 0 HB3 ASP A 118 23.603 -11.195 7.848 1.00 33.43 H new ATOM 1799 N ALA A 119 22.654 -12.938 10.645 1.00 50.02 N ATOM 1800 CA ALA A 119 22.130 -14.293 10.681 1.00 11.33 C ATOM 1801 C ALA A 119 20.808 -14.303 11.451 1.00 13.22 C ATOM 1802 O ALA A 119 20.254 -15.366 11.727 1.00 2.03 O ATOM 1803 CB ALA A 119 23.172 -15.227 11.300 1.00 51.12 C ATOM 0 H ALA A 119 23.331 -12.723 11.377 1.00 50.02 H new ATOM 0 HA ALA A 119 21.927 -14.653 9.672 1.00 11.33 H new ATOM 0 HB1 ALA A 119 22.779 -16.243 11.327 1.00 51.12 H new ATOM 0 HB2 ALA A 119 24.082 -15.206 10.700 1.00 51.12 H new ATOM 0 HB3 ALA A 119 23.398 -14.898 12.314 1.00 51.12 H new ATOM 1809 N GLU A 120 20.340 -13.107 11.776 1.00 52.40 N ATOM 1810 CA GLU A 120 19.093 -12.964 12.509 1.00 60.34 C ATOM 1811 C GLU A 120 18.056 -13.962 11.990 1.00 54.15 C ATOM 1812 O GLU A 120 17.385 -14.630 12.775 1.00 54.03 O ATOM 1813 CB GLU A 120 18.566 -11.531 12.421 1.00 4.54 C ATOM 1814 CG GLU A 120 19.068 -10.690 13.597 1.00 2.31 C ATOM 1815 CD GLU A 120 18.462 -9.285 13.565 1.00 63.14 C ATOM 1816 OE1 GLU A 120 18.725 -8.475 14.466 1.00 22.52 O ATOM 1817 OE2 GLU A 120 17.694 -9.046 12.556 1.00 33.04 O ATOM 0 H GLU A 120 20.802 -12.227 11.545 1.00 52.40 H new ATOM 0 HA GLU A 120 19.285 -13.181 13.560 1.00 60.34 H new ATOM 0 HB2 GLU A 120 18.887 -11.079 11.483 1.00 4.54 H new ATOM 0 HB3 GLU A 120 17.476 -11.540 12.415 1.00 4.54 H new ATOM 0 HG2 GLU A 120 18.809 -11.180 14.536 1.00 2.31 H new ATOM 0 HG3 GLU A 120 20.155 -10.622 13.562 1.00 2.31 H new ATOM 1825 N LEU A 121 17.957 -14.031 10.670 1.00 35.32 N ATOM 1826 CA LEU A 121 17.012 -14.936 10.037 1.00 21.11 C ATOM 1827 C LEU A 121 17.756 -16.178 9.541 1.00 0.24 C ATOM 1828 O LEU A 121 17.183 -17.264 9.476 1.00 70.22 O ATOM 1829 CB LEU A 121 16.227 -14.211 8.942 1.00 64.22 C ATOM 1830 CG LEU A 121 17.059 -13.610 7.807 1.00 1.42 C ATOM 1831 CD1 LEU A 121 16.248 -13.537 6.512 1.00 1.20 C ATOM 1832 CD2 LEU A 121 17.625 -12.245 8.206 1.00 24.53 C ATOM 0 H LEU A 121 18.515 -13.475 10.022 1.00 35.32 H new ATOM 0 HA LEU A 121 16.268 -15.276 10.758 1.00 21.11 H new ATOM 0 HB2 LEU A 121 15.512 -14.912 8.510 1.00 64.22 H new ATOM 0 HB3 LEU A 121 15.649 -13.411 9.405 1.00 64.22 H new ATOM 0 HG LEU A 121 17.907 -14.269 7.619 1.00 1.42 H new ATOM 0 HD11 LEU A 121 16.863 -13.106 5.722 1.00 1.20 H new ATOM 0 HD12 LEU A 121 15.934 -14.540 6.222 1.00 1.20 H new ATOM 0 HD13 LEU A 121 15.368 -12.913 6.668 1.00 1.20 H new ATOM 0 HD21 LEU A 121 18.212 -11.840 7.382 1.00 24.53 H new ATOM 0 HD22 LEU A 121 16.805 -11.565 8.437 1.00 24.53 H new ATOM 0 HD23 LEU A 121 18.261 -12.357 9.084 1.00 24.53 H new ATOM 1844 N GLU A 122 19.021 -15.975 9.205 1.00 25.42 N ATOM 1845 CA GLU A 122 19.850 -17.065 8.717 1.00 32.04 C ATOM 1846 C GLU A 122 20.512 -17.793 9.888 1.00 24.35 C ATOM 1847 O GLU A 122 21.660 -17.512 10.230 1.00 41.33 O ATOM 1848 CB GLU A 122 20.897 -16.556 7.725 1.00 1.11 C ATOM 1849 CG GLU A 122 20.340 -16.538 6.300 1.00 33.43 C ATOM 1850 CD GLU A 122 20.615 -17.864 5.588 1.00 73.13 C ATOM 1851 OE1 GLU A 122 20.926 -18.868 6.245 1.00 20.30 O ATOM 1852 OE2 GLU A 122 20.494 -17.828 4.304 1.00 60.22 O ATOM 0 H GLU A 122 19.493 -15.072 9.261 1.00 25.42 H new ATOM 0 HA GLU A 122 19.211 -17.773 8.189 1.00 32.04 H new ATOM 0 HB2 GLU A 122 21.213 -15.552 8.008 1.00 1.11 H new ATOM 0 HB3 GLU A 122 21.781 -17.192 7.766 1.00 1.11 H new ATOM 0 HG2 GLU A 122 19.266 -16.352 6.328 1.00 33.43 H new ATOM 0 HG3 GLU A 122 20.791 -15.719 5.739 1.00 33.43 H new ATOM 1860 N HIS A 123 19.761 -18.716 10.472 1.00 40.43 N ATOM 1861 CA HIS A 123 20.261 -19.486 11.597 1.00 22.43 C ATOM 1862 C HIS A 123 21.426 -20.366 11.140 1.00 45.03 C ATOM 1863 O HIS A 123 22.197 -20.859 11.962 1.00 60.22 O ATOM 1864 CB HIS A 123 19.134 -20.288 12.250 1.00 32.44 C ATOM 1865 CG HIS A 123 17.815 -19.555 12.313 1.00 21.10 C ATOM 1866 ND1 HIS A 123 16.710 -19.936 11.572 1.00 13.24 N ATOM 1867 CD2 HIS A 123 17.437 -18.462 13.036 1.00 53.03 C ATOM 1868 CE1 HIS A 123 15.717 -19.102 11.844 1.00 12.21 C ATOM 1869 NE2 HIS A 123 16.169 -18.189 12.751 1.00 44.22 N ATOM 0 H HIS A 123 18.810 -18.947 10.186 1.00 40.43 H new ATOM 0 HA HIS A 123 20.640 -18.811 12.364 1.00 22.43 H new ATOM 0 HB2 HIS A 123 18.996 -21.217 11.697 1.00 32.44 H new ATOM 0 HB3 HIS A 123 19.435 -20.561 13.261 1.00 32.44 H new ATOM 0 HD2 HIS A 123 18.063 -17.912 13.723 1.00 53.03 H new ATOM 0 HE1 HIS A 123 14.724 -19.139 11.422 1.00 12.21 H new ATOM 0 HE2 HIS A 123 15.623 -17.423 13.145 1.00 44.22 H new ATOM 1877 N HIS A 124 21.519 -20.536 9.829 1.00 55.41 N ATOM 1878 CA HIS A 124 22.577 -21.347 9.252 1.00 73.12 C ATOM 1879 C HIS A 124 23.912 -20.611 9.374 1.00 44.24 C ATOM 1880 O HIS A 124 23.965 -19.388 9.250 1.00 61.25 O ATOM 1881 CB HIS A 124 22.241 -21.732 7.810 1.00 41.35 C ATOM 1882 CG HIS A 124 21.365 -22.956 7.688 1.00 24.14 C ATOM 1883 ND1 HIS A 124 21.781 -24.116 7.058 1.00 42.21 N ATOM 1884 CD2 HIS A 124 20.094 -23.189 8.124 1.00 20.10 C ATOM 1885 CE1 HIS A 124 20.796 -25.000 7.116 1.00 2.15 C ATOM 1886 NE2 HIS A 124 19.751 -24.424 7.777 1.00 3.41 N ATOM 0 H HIS A 124 20.878 -20.125 9.150 1.00 55.41 H new ATOM 0 HA HIS A 124 22.666 -22.282 9.805 1.00 73.12 H new ATOM 0 HB2 HIS A 124 21.742 -20.892 7.327 1.00 41.35 H new ATOM 0 HB3 HIS A 124 23.169 -21.907 7.266 1.00 41.35 H new ATOM 0 HD2 HIS A 124 19.472 -22.488 8.661 1.00 20.10 H new ATOM 0 HE1 HIS A 124 20.817 -26.001 6.711 1.00 2.15 H new ATOM 0 HE2 HIS A 124 18.854 -24.869 7.972 1.00 3.41 H new ATOM 1894 N HIS A 125 24.959 -21.386 9.615 1.00 21.40 N ATOM 1895 CA HIS A 125 26.291 -20.823 9.755 1.00 23.50 C ATOM 1896 C HIS A 125 26.961 -20.741 8.382 1.00 73.43 C ATOM 1897 O HIS A 125 27.130 -21.757 7.708 1.00 4.51 O ATOM 1898 CB HIS A 125 27.114 -21.621 10.769 1.00 1.30 C ATOM 1899 CG HIS A 125 27.546 -22.981 10.276 1.00 60.04 C ATOM 1900 ND1 HIS A 125 26.678 -24.055 10.182 1.00 1.02 N ATOM 1901 CD2 HIS A 125 28.761 -23.430 9.849 1.00 43.21 C ATOM 1902 CE1 HIS A 125 27.352 -25.098 9.720 1.00 34.10 C ATOM 1903 NE2 HIS A 125 28.643 -24.709 9.515 1.00 54.24 N ATOM 0 H HIS A 125 24.912 -22.400 9.717 1.00 21.40 H new ATOM 0 HA HIS A 125 26.221 -19.809 10.148 1.00 23.50 H new ATOM 0 HB2 HIS A 125 28.000 -21.045 11.036 1.00 1.30 H new ATOM 0 HB3 HIS A 125 26.528 -21.745 11.680 1.00 1.30 H new ATOM 0 HD2 HIS A 125 29.666 -22.844 9.792 1.00 43.21 H new ATOM 0 HE1 HIS A 125 26.950 -26.084 9.538 1.00 34.10 H new ATOM 0 HE2 HIS A 125 29.394 -25.303 9.163 1.00 54.24 H new ATOM 1911 N HIS A 126 27.323 -19.523 8.007 1.00 32.24 N ATOM 1912 CA HIS A 126 27.970 -19.295 6.727 1.00 71.14 C ATOM 1913 C HIS A 126 29.069 -18.243 6.887 1.00 23.21 C ATOM 1914 O HIS A 126 28.790 -17.096 7.231 1.00 42.42 O ATOM 1915 CB HIS A 126 26.942 -18.920 5.658 1.00 54.33 C ATOM 1916 CG HIS A 126 27.508 -18.847 4.260 1.00 73.14 C ATOM 1917 ND1 HIS A 126 27.053 -17.946 3.313 1.00 60.15 N ATOM 1918 CD2 HIS A 126 28.495 -19.571 3.659 1.00 24.22 C ATOM 1919 CE1 HIS A 126 27.742 -18.129 2.196 1.00 23.41 C ATOM 1920 NE2 HIS A 126 28.635 -19.137 2.413 1.00 64.32 N ATOM 0 H HIS A 126 27.180 -18.683 8.568 1.00 32.24 H new ATOM 0 HA HIS A 126 28.444 -20.216 6.386 1.00 71.14 H new ATOM 0 HB2 HIS A 126 26.134 -19.651 5.674 1.00 54.33 H new ATOM 0 HB3 HIS A 126 26.504 -17.955 5.912 1.00 54.33 H new ATOM 0 HD2 HIS A 126 29.066 -20.364 4.119 1.00 24.22 H new ATOM 0 HE1 HIS A 126 27.618 -17.577 1.276 1.00 23.41 H new ATOM 0 HE2 HIS A 126 29.301 -19.498 1.730 1.00 64.32 H new ATOM 1928 N HIS A 127 30.296 -18.672 6.630 1.00 22.35 N ATOM 1929 CA HIS A 127 31.439 -17.782 6.742 1.00 1.11 C ATOM 1930 C HIS A 127 32.130 -17.660 5.382 1.00 33.33 C ATOM 1931 O HIS A 127 32.286 -16.559 4.858 1.00 45.31 O ATOM 1932 CB HIS A 127 32.387 -18.250 7.848 1.00 35.24 C ATOM 1933 CG HIS A 127 33.803 -17.748 7.698 1.00 53.14 C ATOM 1934 ND1 HIS A 127 34.105 -16.509 7.160 1.00 64.11 N ATOM 1935 CD2 HIS A 127 34.994 -18.329 8.020 1.00 34.33 C ATOM 1936 CE1 HIS A 127 35.422 -16.363 7.163 1.00 42.52 C ATOM 1937 NE2 HIS A 127 35.971 -17.492 7.696 1.00 52.21 N ATOM 0 H HIS A 127 30.524 -19.624 6.344 1.00 22.35 H new ATOM 0 HA HIS A 127 31.101 -16.787 7.030 1.00 1.11 H new ATOM 0 HB2 HIS A 127 31.996 -17.921 8.811 1.00 35.24 H new ATOM 0 HB3 HIS A 127 32.399 -19.340 7.865 1.00 35.24 H new ATOM 0 HD2 HIS A 127 35.120 -19.305 8.464 1.00 34.33 H new ATOM 0 HE1 HIS A 127 35.966 -15.501 6.806 1.00 42.52 H new ATOM 0 HE2 HIS A 127 36.968 -17.664 7.824 1.00 52.21 H new ATOM 1945 N HIS A 128 32.524 -18.808 4.850 1.00 11.31 N ATOM 1946 CA HIS A 128 33.194 -18.844 3.561 1.00 1.13 C ATOM 1947 C HIS A 128 32.157 -18.742 2.441 1.00 43.13 C ATOM 1948 O HIS A 128 31.892 -19.721 1.745 1.00 14.31 O ATOM 1949 CB HIS A 128 34.076 -20.089 3.442 1.00 15.31 C ATOM 1950 CG HIS A 128 34.730 -20.250 2.091 1.00 64.41 C ATOM 1951 ND1 HIS A 128 34.109 -20.882 1.028 1.00 43.14 N ATOM 1952 CD2 HIS A 128 35.956 -19.856 1.642 1.00 43.43 C ATOM 1953 CE1 HIS A 128 34.934 -20.863 -0.009 1.00 73.24 C ATOM 1954 NE2 HIS A 128 36.078 -20.227 0.373 1.00 20.24 N ATOM 0 H HIS A 128 32.392 -19.720 5.288 1.00 11.31 H new ATOM 0 HA HIS A 128 33.862 -17.987 3.469 1.00 1.13 H new ATOM 0 HB2 HIS A 128 34.851 -20.047 4.207 1.00 15.31 H new ATOM 0 HB3 HIS A 128 33.471 -20.972 3.649 1.00 15.31 H new ATOM 0 HD1 HIS A 128 33.175 -21.293 1.040 1.00 43.14 H new ATOM 0 HD2 HIS A 128 36.702 -19.331 2.221 1.00 43.43 H new ATOM 0 HE1 HIS A 128 34.735 -21.279 -0.986 1.00 73.24 H new TER 1962 HIS A 128 HETATM 1963 CA CA A 201 29.574 10.241 0.256 1.00 44.03 CA HETATM 1964 CA CA A 202 28.338 1.200 -8.721 1.00 11.03 CA HETATM 1965 CA CA A 203 9.232 -3.973 7.456 1.00 32.34 CA